129
 Energy =   -2867.2872456140
 O   -0.1370290   15.6184350    3.8546690  0.00   -0.0032363    0.0977331    0.0488509
Th   -0.2072540   17.8467300    4.9229570  0.00    0.0162089   -0.3980495   -0.1126780
Si   -0.1185220   15.1575800    7.7982930  0.00    0.0016435   -0.0555961    0.0300386
 N   -2.1939520   17.0200680    4.2213360  0.00    0.1311491    0.0202188    0.0326422
 N    1.8304570   17.1317020    4.2482840  0.00   -0.1337314    0.0132847    0.0295460
 C   -2.5909220   13.1958110    2.6299480  0.00    0.0050845    0.0064629    0.0031187
 H   -2.6496610   12.1968270    2.2221610  0.00    0.0005713    0.0009486   -0.0001724
 C   -3.7592380   13.9208250    2.8197200  0.00   -0.0031754    0.0015148    0.0010545
 C   -3.6672550   15.2132810    3.3496890  0.00   -0.0007380    0.0092349    0.0033642
 H   -4.5580440   15.8126220    3.4941800  0.00    0.0010379   -0.0003827    0.0000912
 C   -2.4385510   15.7569880    3.6879130  0.00    0.0132021   -0.0351995   -0.0082490
 C    2.1530150   15.8921790    3.7028900  0.00   -0.0095808   -0.0366805   -0.0078743
 C    3.4127180   15.4289710    3.3598640  0.00    0.0002183    0.0106528    0.0036146
 H    4.2649510   16.0806150    3.5105670  0.00   -0.0013767   -0.0008837   -0.0000194
 C    3.5841210   14.1463080    2.8254560  0.00    0.0029034    0.0017984    0.0013732
 C    2.4626860   13.3514210    2.6327200  0.00   -0.0056892    0.0051485    0.0029991
 H    2.5832100   12.3590430    2.2223780  0.00   -0.0006175    0.0009136   -0.0002374
 C   -0.0529780   12.9000520    2.7314130  0.00    0.0003429   -0.0026794   -0.0015390
 C   -1.3264250   13.7060230    2.9469880  0.00    0.0083943   -0.0044656    0.0000301
 C   -1.3060040   14.9706200    3.4778390  0.00   -0.0372064    0.0066636    0.0012134
 C    1.0700820   15.0410160    3.4837200  0.00    0.0357701    0.0098944    0.0019638
 C    1.1685360   13.7819830    2.9490520  0.00   -0.0077532   -0.0051714   -0.0001973
 C   -0.0178530   11.7364820    3.7357300  0.00    0.0001295    0.0018796    0.0015659
 H   -0.0297000   12.1031190    4.7639130  0.00   -0.0000706   -0.0007466    0.0004541
 H    0.8856440   11.1392440    3.5965410  0.00   -0.0005075   -0.0001268   -0.0002547
 H   -0.8828130   11.0849150    3.5955190  0.00    0.0003523   -0.0003893   -0.0000957
 C   -0.0349950   12.3401890    1.3029200  0.00    0.0004807    0.0012634   -0.0009191
 H   -0.8929390   11.6899040    1.1293120  0.00    0.0007672    0.0003443    0.0002374
 H    0.8612730   11.7434640    1.1305020  0.00   -0.0012581    0.0005500    0.0003993
 H   -0.0590710   13.1442760    0.5652890  0.00   -0.0000807   -0.0006080   -0.0005126
 C   -5.1334200   13.3574660    2.4592910  0.00   -0.0038846   -0.0020970   -0.0011649
 C   -6.0238930   13.3398430    3.7069530  0.00    0.0012367    0.0009684    0.0012226
 H   -5.5818150   12.7285080    4.4972470  0.00   -0.0003797   -0.0003466    0.0005086
 H   -7.0037680   12.9221660    3.4624860  0.00    0.0016437    0.0008420   -0.0002274
 H   -6.1856320   14.3434920    4.1054140  0.00   -0.0010112    0.0000170    0.0005929
 C   -5.7807170   14.2446550    1.3892070  0.00    0.0016628    0.0014891   -0.0005909
 H   -5.9181100   15.2701210    1.7390520  0.00   -0.0010705    0.0005058   -0.0003245
 H   -6.7652180   13.8526380    1.1216740  0.00    0.0015689    0.0004442    0.0010318
 H   -5.1709880   14.2744940    0.4828430  0.00   -0.0003373    0.0001233   -0.0007890
 C   -5.0519630   11.9344040    1.9132750  0.00    0.0025006    0.0000158   -0.0001691
 H   -4.4613750   11.8818330    0.9953150  0.00   -0.0005809   -0.0003393   -0.0008043
 H   -6.0569150   11.5797270    1.6753060  0.00    0.0013785    0.0006399    0.0004646
 H   -4.6243760   11.2414020    2.6421100  0.00   -0.0006760   -0.0008591    0.0003975
 C    4.9914600   13.6660760    2.4727930  0.00    0.0037030   -0.0014360   -0.0014675
 C    5.6056410   14.6069200    1.4296240  0.00   -0.0016390    0.0011676   -0.0002668
 H    6.6111130   14.2694760    1.1658780  0.00   -0.0016753    0.0004169    0.0009441
 H    5.6899670   15.6298110    1.8029860  0.00    0.0010935    0.0005281   -0.0002241
 H    5.0052370   14.6267110    0.5167980  0.00    0.0003004    0.0001349   -0.0009271
 C    5.8632770   13.6723190    3.7339190  0.00   -0.0016143    0.0011303    0.0011979
 H    5.4458830   13.0187210    4.5035110  0.00    0.0005055   -0.0005298    0.0005032
 H    5.9588300   14.6745310    4.1568010  0.00    0.0010975    0.0001978    0.0004288
 H    6.8695280   13.3180380    3.4964580  0.00   -0.0015074    0.0006357   -0.0000329
 C    4.9951060   12.2517230    1.8987770  0.00   -0.0024733   -0.0001398   -0.0003395
 H    4.6017850   11.5212390    2.6100390  0.00    0.0007702   -0.0006384    0.0002551
 H    6.0204570   11.9589320    1.6636550  0.00   -0.0014407    0.0006357    0.0005684
 H    4.4156270   12.1842830    0.9746910  0.00    0.0006001   -0.0003001   -0.0005840
 C   -3.2374750   17.9895420    4.2569890  0.00    0.0341566    0.0602268    0.0328759
 C   -4.0306720   18.1495650    5.4155550  0.00   -0.0004420    0.0166817    0.0332258
 C   -5.0014670   19.1473460    5.4257380  0.00   -0.0001333    0.0005090   -0.0168603
 H   -5.6211810   19.2752760    6.3059870  0.00    0.0081201    0.0014349   -0.0015647
 C   -5.2072800   19.9629330    4.3289970  0.00   -0.0005150   -0.0237931   -0.0035818
 H   -5.9763000   20.7265440    4.3552240  0.00    0.0084172    0.0013390    0.0012161
 C   -4.4424500   19.7870160    3.1893310  0.00   -0.0080547    0.0006367    0.0051315
 H   -4.6263310   20.4166720    2.3268060  0.00    0.0036388    0.0000394    0.0058766
 C   -3.4554030   18.8100810    3.1234610  0.00    0.0149615    0.0303999   -0.0143872
 C   -2.6994320   18.6212350    1.8236360  0.00   -0.0044280    0.0015366    0.0036600
 H   -1.8140470   18.0099600    2.0342130  0.00    0.0058564   -0.0036507   -0.0030085
 C   -3.5466060   17.8485410    0.8102460  0.00    0.0035546    0.0023280   -0.0047998
 H   -3.8406700   16.8705160    1.1909980  0.00   -0.0003590    0.0004659    0.0001099
 H   -2.9864630   17.6986090   -0.1158530  0.00   -0.0011132   -0.0007853   -0.0004238
 H   -4.4537140   18.4078970    0.5662630  0.00    0.0011894   -0.0003053    0.0015432
 C   -2.2332790   19.9376650    1.2093000  0.00    0.0000289   -0.0003157   -0.0110336
 H   -3.0750210   20.5410940    0.8631080  0.00    0.0042618    0.0005096    0.0055338
 H   -1.6038450   19.7425140    0.3389890  0.00   -0.0001589   -0.0010355   -0.0009536
 H   -1.6587940   20.5457270    1.9113880  0.00    0.0001212    0.0118470    0.0152649
 C   -3.9087630   17.2438910    6.6221370  0.00   -0.0058818    0.0055651    0.0053355
 H   -3.0245940   16.6192340    6.4798600  0.00    0.0009108   -0.0056306    0.0012450
 C   -5.1159060   16.3109860    6.7278280  0.00    0.0004875   -0.0023126   -0.0035732
 H   -6.0414300   16.8788230    6.8530810  0.00    0.0024737   -0.0002388   -0.0001487
 H   -5.0109010   15.6509040    7.5922290  0.00   -0.0003893    0.0006516    0.0003857
 H   -5.2176830   15.6851650    5.8409120  0.00   -0.0024851   -0.0017176   -0.0004283
 C   -3.7437170   18.0235760    7.9252640  0.00    0.0131900    0.0033641    0.0003781
 H   -2.9092580   18.7291060    7.8860160  0.00   -0.0063390    0.0123298   -0.0056399
 H   -3.5607940   17.3379500    8.7559020  0.00   -0.0037113   -0.0053881    0.0000105
 H   -4.6422620   18.5941190    8.1710930  0.00    0.0063063    0.0009328   -0.0027824
 C    2.8017370   18.1726170    4.2778360  0.00   -0.0356291    0.0569551    0.0299682
 C    2.9871040   18.9711990    3.1245940  0.00   -0.0149696    0.0264038   -0.0142902
 C    3.8800390   20.0348520    3.1860670  0.00    0.0039931    0.0019684    0.0080167
 H    4.0350630   20.6505360    2.3071690  0.00   -0.0027592   -0.0004857    0.0045006
 C    4.5867370   20.3137350    4.3425320  0.00    0.0018635   -0.0208272   -0.0008453
 H    5.2817490   21.1453300    4.3684130  0.00   -0.0090261    0.0002113    0.0012117
 C    4.4248480   19.5104060    5.4563960  0.00    0.0039038    0.0002138   -0.0170764
 H    5.0086580   19.7151300    6.3465710  0.00   -0.0084770    0.0004489   -0.0017957
 C    3.5506390   18.4268620    5.4492850  0.00   -0.0044789    0.0151174    0.0333474
 C    3.4993670   17.5211870    6.6613310  0.00    0.0050324    0.0065875    0.0062142
 H    2.6625770   16.8330950    6.5252820  0.00   -0.0005533   -0.0058095    0.0010517
 C    4.7728630   16.6784420    6.7536210  0.00   -0.0006850   -0.0031806   -0.0040175
 H    4.9129090   16.0654530    5.8628020  0.00    0.0028664   -0.0015278   -0.0004761
 H    4.7238980   16.0090730    7.6158740  0.00    0.0002595    0.0013399   -0.0000730
 H    5.6547960   17.3129990    6.8731930  0.00   -0.0018503   -0.0001396   -0.0000552
 C    3.2896280   18.2820350    7.9683930  0.00   -0.0151270    0.0021048    0.0015225
 H    4.1397400   18.9263280    8.2038370  0.00   -0.0066318    0.0005985   -0.0025039
 H    3.1791840   17.5806870    8.7986330  0.00    0.0053464   -0.0057520   -0.0002358
 H    2.3961060   18.9117750    7.9475920  0.00    0.0052824    0.0180317   -0.0116253
 C    2.2921670   18.6768930    1.8114380  0.00    0.0031747    0.0041612    0.0066510
 H    1.5741110   17.8693130    1.9830820  0.00   -0.0049286   -0.0040999   -0.0037081
 C    1.5288260   19.8848340    1.2768740  0.00    0.0089719    0.0033632   -0.0131315
 H    0.7983560   20.2638120    1.9962350  0.00   -0.0091750    0.0082408    0.0135444
 H    0.9941620   19.6210030    0.3619920  0.00   -0.0028467    0.0010059    0.0009950
 H    2.2007580   20.7107830    1.0333920  0.00   -0.0014793   -0.0024908    0.0035560
 C    3.2903810   18.1768660    0.7666720  0.00   -0.0030046    0.0021102   -0.0055528
 H    4.0364230   18.9429700    0.5406090  0.00   -0.0011155   -0.0011575    0.0016191
 H    2.7731340   17.9305090   -0.1635940  0.00    0.0008104   -0.0003946   -0.0005764
 H    3.8133740   17.2833230    1.1092740  0.00   -0.0001351    0.0005963    0.0006954
 C   -0.1866550   16.9222520    7.1342230  0.00   -0.0030008    0.0899419   -0.0857614
 H    0.6668020   17.4515650    7.5943210  0.00    0.0094805    0.0060452    0.0003566
 H   -1.0896160   17.3737160    7.5818140  0.00   -0.0106125    0.0090625    0.0005216
 C    1.4451150   14.2879140    7.2333420  0.00    0.0012021    0.0117227   -0.0050102
 H    1.5481890   14.2560410    6.1458240  0.00    0.0019352   -0.0016595   -0.0008972
 H    1.4382150   13.2554840    7.5952460  0.00   -0.0043010    0.0015201    0.0006728
 H    2.3410170   14.7634550    7.6406350  0.00   -0.0012255   -0.0004309   -0.0009246
 C   -0.1220140   15.2000190    9.6757670  0.00   -0.0004363    0.0152690   -0.0084618
 H    0.7402140   15.7483340   10.0651000  0.00   -0.0013678    0.0000505    0.0007223
 H   -0.0844830   14.1885100   10.0903080  0.00   -0.0001208    0.0000617   -0.0065963
 H   -1.0234740   15.6823600   10.0635220  0.00    0.0011980    0.0001244    0.0007949
 C   -1.6138880   14.1777210    7.2287980  0.00   -0.0017102    0.0109657   -0.0052006
 H   -2.5422460   14.5870680    7.6354100  0.00    0.0013892   -0.0002108   -0.0010359
 H   -1.5337990   13.1475030    7.5881060  0.00    0.0039754    0.0017201    0.0006705
 H   -1.7126070   14.1414320    6.1409460  0.00   -0.0017848   -0.0017575   -0.0005639
129
 Energy =   -2867.2878152870
 O   -0.1371660   15.6225717    3.8567374  0.00    0.0001118   -0.0067535   -0.0030063
Th   -0.2065677   17.8298781    4.9181872  0.00    0.0078613   -0.1980808   -0.0599552
Si   -0.1184526   15.1552256    7.7995650  0.00   -0.0010200    0.0181052   -0.0023026
 N   -2.1883998   17.0209233    4.2227182  0.00   -0.0144862   -0.0392988   -0.0170294
 N    1.8247957   17.1322635    4.2495353  0.00    0.0177529   -0.0386069   -0.0208509
 C   -2.5907068   13.1960839    2.6300803  0.00    0.0032566   -0.0001110    0.0005609
 H   -2.6496369   12.1968665    2.2221540  0.00    0.0012924    0.0052773    0.0015176
 C   -3.7593725   13.9208885    2.8197649  0.00   -0.0008136    0.0081931    0.0038233
 C   -3.6672862   15.2136714    3.3498317  0.00   -0.0012056   -0.0045850   -0.0012672
 H   -4.5580000   15.8126053    3.4941841  0.00   -0.0007960    0.0043668    0.0016503
 C   -2.4379921   15.7554972    3.6875641  0.00   -0.0094761    0.0416640    0.0184954
 C    2.1526094   15.8906253    3.7025571  0.00    0.0053809    0.0420468    0.0198825
 C    3.4127273   15.4294210    3.3600175  0.00    0.0018995   -0.0053397   -0.0015837
 H    4.2648928   16.0805766    3.5105667  0.00    0.0009437    0.0046479    0.0016668
 C    3.5842439   14.1463831    2.8255147  0.00   -0.0002080    0.0083778    0.0040555
 C    2.4624451   13.3516380    2.6328475  0.00   -0.0027823    0.0002443    0.0009226
 H    2.5831838   12.3590807    2.2223685  0.00   -0.0015303    0.0046296    0.0012456
 C   -0.0529636   12.8999378    2.7313483  0.00    0.0001646   -0.0011799   -0.0003744
 C   -1.3260697   13.7058332    2.9469896  0.00    0.0051363    0.0060922    0.0044692
 C   -1.3075791   14.9709014    3.4778907  0.00    0.0263393   -0.0099626    0.0006019
 C    1.0715963   15.0414340    3.4838036  0.00   -0.0251559   -0.0121955    0.0001033
 C    1.1682077   13.7817632    2.9490441  0.00   -0.0057461    0.0067245    0.0049019
 C   -0.0178477   11.7365608    3.7357967  0.00   -0.0000912   -0.0014586    0.0004363
 H   -0.0297032   12.1030866    4.7639326  0.00   -0.0000635   -0.0000945    0.0014086
 H    0.8856223   11.1392378    3.5965307  0.00   -0.0009868    0.0004593   -0.0000672
 H   -0.8827983   11.0848978    3.5955153  0.00    0.0011020    0.0004776    0.0000921
 C   -0.0349747   12.3402417    1.3028815  0.00   -0.0003546   -0.0002942   -0.0011348
 H   -0.8929066   11.6899178    1.1293224  0.00    0.0009229    0.0005933    0.0002815
 H    0.8612196   11.7434864    1.1305194  0.00   -0.0006465    0.0003251    0.0002786
 H   -0.0590744   13.1442495    0.5652677  0.00   -0.0000507    0.0002265   -0.0010731
 C   -5.1335845   13.3573767    2.4592419  0.00    0.0001796    0.0001782   -0.0001481
 C   -6.0238408   13.3398835    3.7070049  0.00    0.0001166    0.0001246    0.0006012
 H   -5.5818312   12.7284928    4.4972687  0.00   -0.0002375   -0.0003293    0.0006626
 H   -7.0036985   12.9222012    3.4624765  0.00    0.0016276    0.0008489    0.0000205
 H   -6.1856749   14.3434923    4.1054393  0.00   -0.0008088    0.0003811    0.0006716
 C   -5.7806466   14.2447175    1.3891822  0.00    0.0002504    0.0006313   -0.0002559
 H   -5.9181552   15.2701419    1.7390384  0.00   -0.0008005    0.0006991   -0.0002570
 H   -6.7651516   13.8526564    1.1217178  0.00    0.0016350    0.0005965    0.0008193
 H   -5.1710022   14.2744987    0.4828098  0.00    0.0000438    0.0002864   -0.0011404
 C   -5.0518573   11.9344041    1.9132681  0.00    0.0003677   -0.0007384   -0.0000437
 H   -4.4613997   11.8818181    0.9952812  0.00   -0.0000646   -0.0003210   -0.0012441
 H   -6.0568568   11.5797536    1.6753259  0.00    0.0019523    0.0005276    0.0004283
 H   -4.6244048   11.2413651    2.6421271  0.00   -0.0004074   -0.0008663    0.0004320
 C    4.9916167   13.6660141    2.4727315  0.00   -0.0003681    0.0001898   -0.0001064
 C    5.6055717   14.6069683    1.4296133  0.00   -0.0004276    0.0007408   -0.0004082
 H    6.6110421   14.2694925    1.1659186  0.00   -0.0016560    0.0005002    0.0007645
 H    5.6900134   15.6298322    1.8029771  0.00    0.0008190    0.0006484   -0.0001756
 H    5.0052498   14.6267156    0.5167593  0.00    0.0000820    0.0002892   -0.0010403
 C    5.8632086   13.6723657    3.7339703  0.00   -0.0001307    0.0000586    0.0004916
 H    5.4459042   13.0186975    4.5035329  0.00    0.0003255   -0.0004262    0.0005994
 H    5.9588764   14.6745383    4.1568198  0.00    0.0008515    0.0006455    0.0005776
 H    6.8694641   13.3180638    3.4964573  0.00   -0.0018125    0.0007706    0.0002284
 C    4.9950012   12.2517160    1.8987632  0.00   -0.0003344   -0.0005318   -0.0000220
 H    4.6018174   11.5212109    2.6100504  0.00    0.0004732   -0.0007161    0.0003569
 H    6.0203959   11.9589578    1.6636797  0.00   -0.0019443    0.0004920    0.0004932
 H    4.4156523   12.1842693    0.9746669  0.00    0.0000165   -0.0003254   -0.0012093
 C   -3.2360289   17.9920910    4.2583810  0.00    0.0625280    0.0319414    0.0242884
 C   -4.0306906   18.1502706    5.4169618  0.00    0.0226794    0.0105810    0.0006621
 C   -5.0014725   19.1473670    5.4250244  0.00   -0.0096179   -0.0073845    0.0140261
 H   -5.6208371   19.2753363    6.3059209  0.00    0.0083579    0.0021316   -0.0074598
 C   -5.2073016   19.9619252    4.3288455  0.00   -0.0144058    0.0013502   -0.0095553
 H   -5.9759434   20.7266002    4.3552756  0.00    0.0128725   -0.0058918    0.0012526
 C   -4.4427907   19.7870424    3.1895484  0.00    0.0010554   -0.0010655   -0.0107520
 H   -4.6261766   20.4166731    2.3270550  0.00    0.0001528    0.0019745    0.0049374
 C   -3.4547694   18.8113673    3.1228522  0.00    0.0156730    0.0099901    0.0213595
 C   -2.6996192   18.6212994    1.8237912  0.00    0.0088253    0.0025401   -0.0070243
 H   -1.8137989   18.0098047    2.0340859  0.00    0.0001546    0.0008024   -0.0029353
 C   -3.5464553   17.8486389    0.8100430  0.00   -0.0016479   -0.0003194    0.0024802
 H   -3.8406850   16.8705351    1.1910029  0.00    0.0002718    0.0026010   -0.0012217
 H   -2.9865099   17.6985751   -0.1158707  0.00    0.0012558   -0.0005677   -0.0030383
 H   -4.4536634   18.4078835    0.5663285  0.00    0.0008637   -0.0001889    0.0006649
 C   -2.2332774   19.9376509    1.2088332  0.00    0.0089499    0.0059963    0.0084726
 H   -3.0748402   20.5411149    0.8633425  0.00   -0.0000041    0.0027316    0.0024385
 H   -1.6038514   19.7424694    0.3389489  0.00    0.0026665   -0.0013314   -0.0049493
 H   -1.6587885   20.5462278    1.9120345  0.00   -0.0070544    0.0023562    0.0038877
 C   -3.9090120   17.2441260    6.6223631  0.00    0.0052082   -0.0015673    0.0082328
 H   -3.0245555   16.6189950    6.4799130  0.00   -0.0051681    0.0007296    0.0013780
 C   -5.1158854   16.3108876    6.7276769  0.00   -0.0009138    0.0012543    0.0009361
 H   -6.0413253   16.8788124    6.8530749  0.00    0.0015954   -0.0009613   -0.0003285
 H   -5.0109176   15.6509311    7.5922455  0.00   -0.0003289    0.0009270   -0.0004466
 H   -5.2177883   15.6850918    5.8408941  0.00   -0.0019950   -0.0022614   -0.0020795
 C   -3.7431586   18.0237179    7.9252802  0.00    0.0020280    0.0004108    0.0048492
 H   -2.9095263   18.7296274    7.8857775  0.00   -0.0013248    0.0128139   -0.0058736
 H   -3.5609512   17.3377213    8.7559027  0.00   -0.0020654   -0.0029638   -0.0006628
 H   -4.6419950   18.5941580    8.1709754  0.00    0.0075384   -0.0002515   -0.0024877
 C    2.8002288   18.1750272    4.2791052  0.00   -0.0643989    0.0248915    0.0228634
 C    2.9864705   18.9723158    3.1239895  0.00   -0.0160991    0.0084306    0.0211723
 C    3.8802083   20.0349343    3.1864069  0.00   -0.0016134    0.0014629   -0.0097811
 H    4.0349465   20.6505144    2.3073600  0.00   -0.0002114    0.0004905    0.0056178
 C    4.5868161   20.3128523    4.3424968  0.00    0.0122091    0.0029345   -0.0078349
 H    5.2813672   21.1453379    4.3684649  0.00   -0.0119786   -0.0060127    0.0013180
 C    4.4250134   19.5104140    5.4556736  0.00    0.0091955   -0.0089786    0.0138200
 H    5.0082993   19.7151480    6.3464955  0.00   -0.0077382    0.0011380   -0.0067124
 C    3.5504495   18.4275010    5.4506972  0.00   -0.0207933    0.0109463    0.0010181
 C    3.4995800   17.5214649    6.6615946  0.00   -0.0060956   -0.0024634    0.0086043
 H    2.6625536   16.8328481    6.5253270  0.00    0.0050156    0.0009097    0.0014359
 C    4.7728340   16.6783063    6.7534515  0.00    0.0011080    0.0022642    0.0007379
 H    4.9130303   16.0653873    5.8627824  0.00    0.0023089   -0.0023584   -0.0025229
 H    4.7239089   16.0091287    7.6158715  0.00    0.0001126    0.0011439   -0.0004553
 H    5.6547177   17.3129920    6.8731913  0.00   -0.0016650   -0.0013618   -0.0003854
 C    3.2889876   18.2821232    7.9684580  0.00   -0.0030248    0.0016878    0.0047668
 H    4.1394593   18.9263524    8.2037315  0.00   -0.0083054   -0.0011075   -0.0022895
 H    3.1794103   17.5804426    8.7986235  0.00    0.0027640   -0.0033826   -0.0004702
 H    2.3963297   18.9125375    7.9471003  0.00    0.0008913    0.0170162   -0.0110158
 C    2.2923017   18.6770682    1.8117200  0.00   -0.0062364    0.0020504   -0.0072230
 H    1.5739026   17.8691385    1.9829255  0.00   -0.0007016    0.0016359   -0.0029815
 C    1.5292062   19.8849755    1.2763185  0.00   -0.0124943    0.0035934    0.0099697
 H    0.7979679   20.2641600    1.9968088  0.00    0.0049819    0.0012447   -0.0008990
 H    0.9940418   19.6210447    0.3620345  0.00   -0.0031997    0.0004244   -0.0026487
 H    2.2006958   20.7106766    1.0335430  0.00    0.0046176    0.0039764    0.0001412
 C    3.2902541   18.1769543    0.7664374  0.00    0.0008158   -0.0007382    0.0031294
 H    4.0363761   18.9429200    0.5406781  0.00   -0.0002101   -0.0001843    0.0005862
 H    2.7731686   17.9304913   -0.1636179  0.00   -0.0014511   -0.0005429   -0.0030277
 H    3.8133685   17.2833472    1.1093040  0.00   -0.0011319    0.0026294   -0.0007477
 C   -0.1867821   16.9260589    7.1305927  0.00   -0.0014807    0.0079948   -0.0116317
 H    0.6672033   17.4518201    7.5943365  0.00    0.0041744    0.0062647   -0.0064976
 H   -1.0900653   17.3740989    7.5818364  0.00   -0.0038448    0.0089074   -0.0068771
 C    1.4451657   14.2884094    7.2331303  0.00    0.0014115   -0.0063536    0.0006705
 H    1.5482708   14.2559699    6.1457865  0.00    0.0012087   -0.0006385   -0.0028094
 H    1.4380327   13.2555475    7.5952749  0.00   -0.0016220    0.0066491   -0.0025657
 H    2.3409649   14.7634359    7.6405963  0.00    0.0007747    0.0019745    0.0001872
 C   -0.1220327   15.2006647    9.6754092  0.00   -0.0000260   -0.0027061    0.0045552
 H    0.7401559   15.7483353   10.0651310  0.00    0.0007726    0.0022063    0.0001268
 H   -0.0844884   14.1885119   10.0900291  0.00   -0.0004081    0.0083753   -0.0076925
 H   -1.0234235   15.6823646   10.0635560  0.00   -0.0009008    0.0020333    0.0001260
 C   -1.6139606   14.1781845    7.2285782  0.00   -0.0010551   -0.0066534    0.0007970
 H   -2.5421874   14.5870584    7.6353664  0.00   -0.0005232    0.0018846   -0.0000183
 H   -1.5336310   13.1475751    7.5881347  0.00    0.0009731    0.0063663   -0.0024735
 H   -1.7126827   14.1413569    6.1409225  0.00   -0.0011126   -0.0007256   -0.0027849
129
 Energy =   -2867.2880483270
 O   -0.1372089   15.6236629    3.8573069  0.00    0.0020691   -0.0556968   -0.0241127
Th   -0.2058348   17.8115754    4.9127686  0.00    0.0005853   -0.0231957   -0.0090093
Si   -0.1184901   15.1554786    7.7998875  0.00   -0.0015938    0.0318988   -0.0091426
 N   -2.1872663   17.0188209    4.2221763  0.00   -0.0621793   -0.0063400   -0.0115104
 N    1.8238234   17.1300963    4.2487113  0.00    0.0635726   -0.0034106   -0.0118104
 C   -2.5904284   13.1961755    2.6301634  0.00   -0.0069203    0.0125017    0.0049833
 H   -2.6495488   12.1972038    2.2222451  0.00    0.0019803    0.0021783    0.0002866
 C   -3.7594713   13.9214137    2.8200163  0.00    0.0118782   -0.0139983   -0.0041366
 C   -3.6673715   15.2135311    3.3498061  0.00    0.0063957    0.0260003    0.0118554
 H   -4.5580327   15.8128664    3.4942870  0.00   -0.0000692    0.0014640    0.0003733
 C   -2.4383701   15.7575112    3.6885728  0.00   -0.0009061   -0.0612636   -0.0251547
 C    2.1527922   15.8926394    3.7036572  0.00    0.0072213   -0.0633466   -0.0269117
 C    3.4128474   15.4292556    3.3599769  0.00   -0.0098189    0.0262510    0.0128666
 H    4.2649297   16.0808464    3.5106696  0.00    0.0001201    0.0014276    0.0002361
 C    3.5842760   14.1469233    2.8257858  0.00   -0.0099685   -0.0148707   -0.0042629
 C    2.4621865   13.3517306    2.6329513  0.00    0.0050237    0.0122882    0.0050733
 H    2.5830802   12.3593772    2.2224423  0.00   -0.0021396    0.0024966    0.0004440
 C   -0.0529482   12.8998224    2.7313023  0.00   -0.0001669   -0.0003243    0.0010629
 C   -1.3256248   13.7061370    2.9472651  0.00    0.0064768   -0.0077470   -0.0008238
 C   -1.3065356   14.9703910    3.4779469  0.00   -0.0465442    0.0250141    0.0094946
 C    1.0706035   15.0408362    3.4838409  0.00    0.0439760    0.0285880    0.0105213
 C    1.1677354   13.7820946    2.9493428  0.00   -0.0053220   -0.0096904   -0.0015664
 C   -0.0178515   11.7364987    3.7358485  0.00    0.0001245    0.0007485    0.0006176
 H   -0.0297084   12.1030678    4.7640269  0.00   -0.0000450   -0.0003949    0.0005481
 H    0.8855536   11.1392624    3.5965235  0.00    0.0002487   -0.0004126   -0.0000361
 H   -0.8827255   11.0849196    3.5955203  0.00   -0.0002199   -0.0005082    0.0000275
 C   -0.0349890   12.3402414    1.3027984  0.00    0.0002657    0.0015070    0.0001793
 H   -0.8928381   11.6899579    1.1293441  0.00   -0.0004186   -0.0002768   -0.0000901
 H    0.8611605   11.7435131    1.1305435  0.00    0.0002570   -0.0001782   -0.0000799
 H   -0.0590786   13.1442522    0.5651946  0.00   -0.0000671    0.0002193   -0.0010610
 C   -5.1336334   13.3573542    2.4592151  0.00    0.0022360    0.0030379    0.0014911
 C   -6.0238146   13.3399052    3.7070609  0.00    0.0007332    0.0006672    0.0003768
 H   -5.5818519   12.7284663    4.4973176  0.00   -0.0001057   -0.0002564    0.0006095
 H   -7.0035733   12.9222655    3.4624745  0.00    0.0001772    0.0001616   -0.0001542
 H   -6.1857401   14.3435150    4.1054898  0.00   -0.0005281    0.0001289    0.0005275
 C   -5.7806054   14.2447781    1.3891575  0.00    0.0009497    0.0007762   -0.0000548
 H   -5.9182206   15.2701915    1.7390178  0.00   -0.0005015    0.0005082   -0.0002677
 H   -6.7650268   13.8526988    1.1217842  0.00    0.0002447    0.0000876    0.0002523
 H   -5.1710044   14.2745169    0.4827279  0.00   -0.0000316    0.0003322   -0.0007218
 C   -5.0517962   11.9343579    1.9132632  0.00    0.0023790    0.0007193    0.0002312
 H   -4.4614126   11.8817918    0.9951929  0.00   -0.0000297   -0.0003380   -0.0007258
 H   -6.0567157   11.5797948    1.6753597  0.00    0.0002078   -0.0000457    0.0000304
 H   -4.6244404   11.2412975    2.6421602  0.00   -0.0001002   -0.0007810    0.0003823
 C    4.9916513   13.6660016    2.4727034  0.00   -0.0025171    0.0029333    0.0015322
 C    5.6055204   14.6070296    1.4295852  0.00   -0.0009137    0.0007416   -0.0000084
 H    6.6109148   14.2695273    1.1659813  0.00   -0.0003480    0.0000828    0.0002459
 H    5.6900808   15.6298780    1.8029639  0.00    0.0005064    0.0005252   -0.0002112
 H    5.0052598   14.6267332    0.5166822  0.00    0.0000041    0.0003714   -0.0008174
 C    5.8631756   13.6723847    3.7340201  0.00   -0.0008948    0.0007690    0.0004473
 H    5.4459319   13.0186612    4.5035786  0.00    0.0001654   -0.0002671    0.0005207
 H    5.9589457   14.6745789    4.1568629  0.00    0.0005592    0.0001596    0.0003838
 H    6.8693295   13.3181187    3.4964720  0.00   -0.0002561    0.0001592   -0.0000465
 C    4.9949425   12.2516791    1.8987578  0.00   -0.0024295    0.0007001    0.0002329
 H    4.6018582   11.5211551    2.6100774  0.00    0.0001363   -0.0006874    0.0003620
 H    6.0202543   11.9589956    1.6637200  0.00   -0.0002047    0.0000718    0.0000940
 H    4.4156627   12.1842425    0.9745847  0.00   -0.0000130   -0.0003446   -0.0007383
 C   -3.2316626   17.9949799    4.2603795  0.00    0.0343877    0.0182982    0.0146117
 C   -4.0293047   18.1511766    5.4175150  0.00    0.0230139    0.0088415    0.0075499
 C   -5.0020647   19.1469205    5.4256255  0.00    0.0146719    0.0000749   -0.0315143
 H   -5.6201984   19.2754885    6.3054386  0.00   -0.0070402    0.0020939    0.0125368
 C   -5.2081935   19.9616402    4.3282035  0.00    0.0127345   -0.0259244    0.0052343
 H   -5.9750226   20.7262582    4.3553710  0.00   -0.0051106    0.0082364   -0.0001646
 C   -4.4428496   19.7869857    3.1889674  0.00   -0.0010224   -0.0070752    0.0147741
 H   -4.6261104   20.4167938    2.3274486  0.00   -0.0013107    0.0056340   -0.0063962
 C   -3.4535758   18.8124484    3.1239418  0.00    0.0299631    0.0032482    0.0092725
 C   -2.6991450   18.6214776    1.8234165  0.00    0.0022806    0.0044974    0.0070847
 H   -1.8136985   18.0097962    2.0338596  0.00    0.0033378   -0.0000459   -0.0038013
 C   -3.5465010   17.8486538    0.8101214  0.00    0.0039473    0.0035741   -0.0008322
 H   -3.8406734   16.8707007    1.1909298  0.00   -0.0002394    0.0000219    0.0005298
 H   -2.9864493   17.6985266   -0.1160636  0.00   -0.0013116    0.0001134    0.0006290
 H   -4.4535913   18.4078659    0.5663932  0.00   -0.0004230    0.0008535    0.0003657
 C   -2.2327267   19.9380128    1.2091833  0.00    0.0028875    0.0020677   -0.0055443
 H   -3.0747739   20.5412891    0.8635776  0.00    0.0035491    0.0001274    0.0035271
 H   -1.6036893   19.7423701    0.3386305  0.00    0.0008266    0.0024098    0.0007940
 H   -1.6592190   20.5465537    1.9125088  0.00   -0.0018548    0.0046392    0.0068691
 C   -3.9087829   17.2441147    6.6229510  0.00    0.0020652    0.0042209   -0.0007768
 H   -3.0248587   16.6189519    6.4800170  0.00   -0.0000519   -0.0026185    0.0031418
 C   -5.1159340   16.3109281    6.7276794  0.00    0.0027839    0.0002181   -0.0023921
 H   -6.0411892   16.8787490    6.8530524  0.00   -0.0011870    0.0008733    0.0001009
 H   -5.0109439   15.6509973    7.5922242  0.00   -0.0005707    0.0003701    0.0000207
 H   -5.2179491   15.6849256    5.8407599  0.00   -0.0008733    0.0004162    0.0008390
 C   -3.7428306   18.0237941    7.9255839  0.00    0.0068850    0.0017954    0.0021650
 H   -2.9097053   18.7306033    7.8853300  0.00   -0.0027291    0.0073530   -0.0041160
 H   -3.5611353   17.3374554    8.7558623  0.00    0.0001777   -0.0017734    0.0022667
 H   -4.6414348   18.5941561    8.1707798  0.00    0.0018524    0.0016250   -0.0006061
 C    2.7957256   18.1774322    4.2809718  0.00   -0.0347368    0.0166541    0.0121170
 C    2.9852517   18.9732388    3.1250697  0.00   -0.0292730    0.0012892    0.0098178
 C    3.8801715   20.0350526    3.1859305  0.00   -0.0000197   -0.0061223    0.0169960
 H    4.0348917   20.6505350    2.3077749  0.00    0.0012208    0.0051180   -0.0065617
 C    4.5875951   20.3127093    4.3420033  0.00   -0.0109677   -0.0249452    0.0055341
 H    5.2804931   21.1449700    4.3685651  0.00    0.0035669    0.0085953    0.0004403
 C    4.4256386   19.5098642    5.4562594  0.00   -0.0105279    0.0004242   -0.0292791
 H    5.0076937   19.7152229    6.3460564  0.00    0.0061664    0.0023025    0.0119153
 C    3.5491040   18.4284045    5.4512747  0.00   -0.0257048    0.0024726    0.0073407
 C    3.4992835   17.5214136    6.6622194  0.00   -0.0012542    0.0053579   -0.0010960
 H    2.6628530   16.8328128    6.5254321  0.00   -0.0004807   -0.0031350    0.0030638
 C    4.7728914   16.6783945    6.7534357  0.00   -0.0035297   -0.0002198   -0.0024619
 H    4.9132163   16.0652171    5.8626211  0.00    0.0008952    0.0006569    0.0009267
 H    4.7239197   16.0092179    7.6158433  0.00    0.0005422    0.0007384   -0.0002456
 H    5.6545870   17.3129044    6.8731676  0.00    0.0013213    0.0011904    0.0000472
 C    3.2885687   18.2822577    7.9687748  0.00   -0.0079708    0.0013058    0.0018649
 H    4.1388472   18.9262920    8.2035530  0.00   -0.0023402    0.0015253   -0.0005584
 H    3.1796624   17.5801447    8.7985917  0.00   -0.0004600   -0.0009444    0.0017780
 H    2.3964660   18.9138589    7.9462452  0.00    0.0029501    0.0108081   -0.0082511
 C    2.2919683   18.6772564    1.8113796  0.00   -0.0044797    0.0037596    0.0070111
 H    1.5737840   17.8691740    1.9826857  0.00   -0.0016862    0.0013299   -0.0039297
 C    1.5285781   19.8852462    1.2767285  0.00    0.0001780    0.0039479   -0.0070516
 H    0.7981330   20.2643618    1.9969628  0.00   -0.0017954    0.0039163    0.0052448
 H    0.9938023   19.6210844    0.3618876  0.00   -0.0020388    0.0031158    0.0019422
 H    2.2009573   20.7108804    1.0336069  0.00   -0.0017948   -0.0021012    0.0020554
 C    3.2902584   18.1769395    0.7665446  0.00   -0.0039799    0.0031823   -0.0009780
 H    4.0363467   18.9428887    0.5407397  0.00    0.0000235    0.0001820    0.0004369
 H    2.7730927   17.9304499   -0.1638121  0.00    0.0008567    0.0005575    0.0009605
 H    3.8132974   17.2835158    1.1092695  0.00    0.0001032   -0.0002483    0.0010081
 C   -0.1869193   16.9279356    7.1285563  0.00    0.0004772   -0.0273038    0.0355289
 H    0.6676059   17.4522967    7.5939435  0.00   -0.0030187    0.0034047   -0.0132124
 H   -1.0904650   17.3747845    7.5814226  0.00    0.0030530    0.0066519   -0.0130653
 C    1.4452707   14.2881987    7.2330950  0.00   -0.0004522    0.0059742   -0.0023187
 H    1.5483747   14.2559036    6.1456009  0.00    0.0013650   -0.0011799   -0.0009034
 H    1.4378664   13.2559778    7.5951286  0.00   -0.0009763   -0.0029821    0.0003163
 H    2.3409934   14.7635490    7.6405944  0.00   -0.0001640    0.0007870   -0.0005135
 C   -0.1220414   15.2007329    9.6755589  0.00   -0.0002619    0.0071485    0.0002394
 H    0.7401819   15.7484704   10.0651505  0.00    0.0003959    0.0019346    0.0001743
 H   -0.0845158   14.1890260   10.0894558  0.00   -0.0000264   -0.0015507   -0.0026347
 H   -1.0234607   15.6824903   10.0635765  0.00   -0.0006576    0.0018816    0.0002449
 C   -1.6140520   14.1779440    7.2285474  0.00    0.0000923    0.0054908   -0.0023585
 H   -2.5421983   14.5871699    7.6353498  0.00    0.0001709    0.0008662   -0.0005691
 H   -1.5335103   13.1479914    7.5879938  0.00    0.0009704   -0.0032944    0.0003935
 H   -1.7127787   14.1412841    6.1407433  0.00   -0.0012035   -0.0012683   -0.0008547
129
 Energy =   -2867.2881236150
 O   -0.1371486   15.6220354    3.8566426  0.00    0.0010806   -0.0291360   -0.0117043
Th   -0.2055506   17.8041671    4.9105008  0.00   -0.0009608    0.0253238    0.0064084
Si   -0.1185608   15.1567008    7.7996847  0.00   -0.0009454    0.0173591   -0.0024573
 N   -2.1890842   17.0179082    4.2216006  0.00   -0.0296163   -0.0211568   -0.0081503
 N    1.8257447   17.1292644    4.2480274  0.00    0.0322187   -0.0208222   -0.0076597
 C   -2.5905914   13.1966848    2.6303829  0.00    0.0128728   -0.0081211   -0.0016105
 H   -2.6494441   12.1973982    2.2222860  0.00    0.0011149    0.0068979    0.0021400
 C   -3.7590591   13.9210602    2.8199446  0.00   -0.0080142    0.0200424    0.0077325
 C   -3.6671589   15.2144767    3.3502492  0.00   -0.0137176   -0.0285217   -0.0120253
 H   -4.5580447   15.8130071    3.4943353  0.00   -0.0009641    0.0064431    0.0022428
 C   -2.4385138   15.7558227    3.6879474  0.00   -0.0286664    0.0056816   -0.0028888
 C    2.1531144   15.8908705    3.7029963  0.00    0.0269866    0.0071439   -0.0031658
 C    3.4125169   15.4302037    3.3604539  0.00    0.0177927   -0.0285988   -0.0125583
 H    4.2649450   16.0809876    3.5107129  0.00    0.0000214    0.0061995    0.0021116
 C    3.5839137   14.1465419    2.8257166  0.00    0.0061750    0.0202274    0.0079101
 C    2.4622840   13.3522304    2.6331811  0.00   -0.0113822   -0.0090488   -0.0017412
 H    2.5829645   12.3595698    2.2224835  0.00   -0.0015931    0.0069929    0.0022229
 C   -0.0529489   12.8997680    2.7313256  0.00   -0.0000814    0.0013146    0.0017774
 C   -1.3252229   13.7059390    2.9473254  0.00   -0.0150980    0.0146461    0.0067553
 C   -1.3079912   14.9711737    3.4783256  0.00    0.0091021   -0.0500175   -0.0190374
 C    1.0719776   15.0417285    3.4842531  0.00   -0.0057773   -0.0520364   -0.0196600
 C    1.1673689   13.7818316    2.9493826  0.00    0.0133624    0.0160011    0.0072581
 C   -0.0178479   11.7365078    3.7358910  0.00   -0.0000078   -0.0008518    0.0011160
 H   -0.0297120   12.1030451    4.7640796  0.00   -0.0000214   -0.0003539    0.0003457
 H    0.8855397   11.1392540    3.5965198  0.00    0.0002206   -0.0002327    0.0000002
 H   -0.8827092   11.0849065    3.5955231  0.00   -0.0001104   -0.0002725    0.0000639
 C   -0.0349830   12.3402989    1.3027768  0.00   -0.0000262    0.0001385   -0.0004036
 H   -0.8928302   11.6899604    1.1293484  0.00   -0.0001014    0.0001354    0.0000433
 H    0.8611493   11.7435149    1.1305492  0.00    0.0001162    0.0001124    0.0000378
 H   -0.0590824   13.1442599    0.5651300  0.00   -0.0000421    0.0003674   -0.0008294
 C   -5.1335695   13.3574584    2.4592612  0.00    0.0049263   -0.0002259    0.0004025
 C   -6.0237767   13.3399381    3.7070951  0.00    0.0013999    0.0007502    0.0004519
 H   -5.5818631   12.7284469    4.4973573  0.00   -0.0001703    0.0000371    0.0004441
 H   -7.0035232   12.9222933    3.4624676  0.00    0.0003312    0.0001893   -0.0003279
 H   -6.1857828   14.3435269    4.1055271  0.00   -0.0004589    0.0002396    0.0007237
 C   -5.7805537   14.2448287    1.3891465  0.00    0.0015057    0.0008183    0.0003741
 H   -5.9182622   15.2702272    1.7390003  0.00   -0.0003713    0.0007255   -0.0003913
 H   -6.7649742   13.8527161    1.1218168  0.00    0.0003710   -0.0000246    0.0003888
 H   -5.1710065   14.2745350    0.4826725  0.00   -0.0000494    0.0004698   -0.0005267
 C   -5.0516830   11.9343691    1.9132701  0.00    0.0001214    0.0009165    0.0003257
 H   -4.4614185   11.8817693    0.9951353  0.00    0.0002824   -0.0002820   -0.0005692
 H   -6.0566594   11.5798068    1.6753726  0.00    0.0008848    0.0002097    0.0001648
 H   -4.6244567   11.2412440    2.6421862  0.00    0.0001737   -0.0005312    0.0002181
 C    4.9915722   13.6661054    2.4727506  0.00   -0.0047141   -0.0004851    0.0004080
 C    5.6054672   14.6070782    1.4295757  0.00   -0.0015670    0.0007540    0.0003781
 H    6.6108578   14.2695413    1.1660129  0.00   -0.0004271   -0.0000670    0.0003868
 H    5.6901238   15.6299126    1.8029517  0.00    0.0003641    0.0007879   -0.0003330
 H    5.0052639   14.6267522    0.5166251  0.00    0.0000273    0.0005187   -0.0005901
 C    5.8631291   13.6724203    3.7340554  0.00   -0.0014306    0.0007249    0.0004744
 H    5.4459479   13.0186374    4.5036145  0.00    0.0001702    0.0000630    0.0003942
 H    5.9589911   14.6745976    4.1568927  0.00    0.0004526    0.0002981    0.0006268
 H    6.8692736   13.3181426    3.4964757  0.00   -0.0004304    0.0002024   -0.0002594
 C    4.9948285   12.2516921    1.8987649  0.00   -0.0002211    0.0009319    0.0003281
 H    4.6018779   11.5211089    2.6101008  0.00   -0.0001586   -0.0004594    0.0002261
 H    6.0201980   11.9590105    1.6637381  0.00   -0.0009102    0.0003075    0.0002200
 H    4.4156664   12.1842193    0.9745294  0.00   -0.0003026   -0.0002891   -0.0005826
 C   -3.2288771   17.9966982    4.2616320  0.00    0.0084644    0.0073344    0.0058499
 C   -4.0279768   18.1518296    5.4180224  0.00    0.0193306    0.0111537    0.0043993
 C   -5.0017068   19.1467755    5.4246146  0.00    0.0087770   -0.0131976    0.0163028
 H   -5.6202429   19.2756191    6.3057503  0.00    0.0044138   -0.0012835   -0.0063938
 C   -5.2080084   19.9605382    4.3281840  0.00   -0.0073752    0.0066842   -0.0077080
 H   -5.9749003   20.7264570    4.3553976  0.00    0.0044810   -0.0051262   -0.0002922
 C   -4.4429168   19.7866998    3.1893387  0.00    0.0164313   -0.0081946   -0.0046716
 H   -4.6261333   20.4170459    2.3273443  0.00   -0.0002548   -0.0021242    0.0026832
 C   -3.4520310   18.8129642    3.1246359  0.00    0.0168688    0.0147547    0.0068900
 C   -2.6989067   18.6217076    1.8235642  0.00    0.0049314    0.0032433    0.0046599
 H   -1.8135320   18.0097866    2.0336375  0.00    0.0045126    0.0001488   -0.0040688
 C   -3.5463626   17.8487958    0.8101103  0.00    0.0017630    0.0031355    0.0032217
 H   -3.8406787   16.8707562    1.1909256  0.00    0.0004784    0.0015544    0.0001715
 H   -2.9864796   17.6985132   -0.1161042  0.00   -0.0004870    0.0006481    0.0005482
 H   -4.4535816   18.4078912    0.5664301  0.00    0.0002792    0.0009400    0.0005476
 C   -2.2324348   19.9382096    1.2090769  0.00    0.0021385    0.0022087   -0.0002138
 H   -3.0746124   20.5413514    0.8637951  0.00    0.0026279    0.0005976    0.0024118
 H   -1.6036041   19.7424262    0.3385539  0.00    0.0023556    0.0030340   -0.0000739
 H   -1.6594311   20.5468500    1.9129432  0.00   -0.0016741    0.0031797    0.0040498
 C   -3.9086358   17.2442763    6.6231227  0.00    0.0036548    0.0040257   -0.0013366
 H   -3.0249600   16.6188315    6.4801716  0.00    0.0010254   -0.0026705    0.0034153
 C   -5.1158444   16.3109465    6.7275856  0.00    0.0014886    0.0031775   -0.0011596
 H   -6.0411859   16.8787602    6.8530485  0.00   -0.0001860    0.0003523   -0.0002182
 H   -5.0109747   15.6510334    7.5922183  0.00   -0.0001703    0.0008913   -0.0006773
 H   -5.2180382   15.6848837    5.8407466  0.00   -0.0001883    0.0006246    0.0004779
 C   -3.7424464   18.0238905    7.9257667  0.00    0.0028558    0.0013124    0.0014515
 H   -2.9098750   18.7312182    7.8850196  0.00   -0.0010460    0.0060182   -0.0029382
 H   -3.5611940   17.3372935    8.7559345  0.00    0.0016728   -0.0002312    0.0025828
 H   -4.6411718   18.5942175    8.1706887  0.00    0.0016165    0.0012103   -0.0001230
 C    2.7928804   18.1789240    4.2820832  0.00   -0.0090004    0.0062603    0.0049508
 C    2.9837252   18.9736234    3.1257816  0.00   -0.0180465    0.0143404    0.0056638
 C    3.8801636   20.0348619    3.1864242  0.00   -0.0161999   -0.0093057   -0.0045232
 H    4.0349169   20.6507336    2.3076701  0.00    0.0002874   -0.0023896    0.0032375
 C    4.5874414   20.3116945    4.3420480  0.00    0.0071127    0.0078329   -0.0052298
 H    5.2803280   21.1451719    4.3686166  0.00   -0.0045129   -0.0049205    0.0003155
 C    4.4254530   19.5096974    5.4553280  0.00   -0.0094031   -0.0140615    0.0154296
 H    5.0077163   19.7153343    6.3463590  0.00   -0.0029571   -0.0019673   -0.0051601
 C    3.5476825   18.4288141    5.4517827  0.00   -0.0185474    0.0099432    0.0033577
 C    3.4991439   17.5216058    6.6623926  0.00   -0.0045070    0.0028308   -0.0015470
 H    2.6629335   16.8326750    6.5255841  0.00   -0.0006739   -0.0026242    0.0036178
 C    4.7727765   16.6784108    6.7533331  0.00   -0.0017377    0.0031735   -0.0011413
 H    4.9133152   16.0651827    5.8626024  0.00    0.0000819    0.0008673    0.0005786
 H    4.7239440   16.0092760    7.6158250  0.00    0.0000227    0.0010928   -0.0007840
 H    5.6545915   17.3129192    6.8731619  0.00    0.0000541    0.0003908   -0.0003254
 C    3.2881112   18.2823532    7.9689522  0.00   -0.0032309    0.0018280    0.0005291
 H    4.1385483   18.9263294    8.2034701  0.00   -0.0021230    0.0010638   -0.0001095
 H    3.1797348   17.5800027    8.7986483  0.00   -0.0027161    0.0007840    0.0020504
 H    2.3966289   18.9147252    7.9456368  0.00    0.0015083    0.0086592   -0.0064207
 C    2.2916928   18.6774647    1.8115397  0.00   -0.0051481    0.0037182    0.0045301
 H    1.5736755   17.8692302    1.9824537  0.00   -0.0034729    0.0007508   -0.0038254
 C    1.5283878   19.8854879    1.2765827  0.00   -0.0012201    0.0024866   -0.0014031
 H    0.7981095   20.2645854    1.9972279  0.00   -0.0004682    0.0033678    0.0026436
 H    0.9936431   19.6212155    0.3619136  0.00   -0.0030318    0.0032127    0.0002179
 H    2.2009749   20.7108647    1.0337100  0.00   -0.0010411   -0.0006126    0.0011426
 C    3.2901065   18.1770563    0.7665368  0.00   -0.0021737    0.0024968    0.0034829
 H    4.0363370   18.9428828    0.5407788  0.00   -0.0003159    0.0004386    0.0004607
 H    2.7731013   17.9304557   -0.1638406  0.00    0.0000385    0.0009013    0.0009900
 H    3.8132780   17.2835620    1.1092973  0.00   -0.0010550    0.0012907    0.0005820
 C   -0.1869502   16.9276315    7.1291225  0.00    0.0004877   -0.0238225    0.0324248
 H    0.6676365   17.4525895    7.5933150  0.00   -0.0022293    0.0034613   -0.0124095
 H   -1.0904946   17.3752728    7.5807928  0.00    0.0022470    0.0064163   -0.0121815
 C    1.4452897   14.2883675    7.2329901  0.00   -0.0033417    0.0057228   -0.0007934
 H    1.5484629   14.2558343    6.1455045  0.00    0.0017974   -0.0010426   -0.0010638
 H    1.4377692   13.2560087    7.5950932  0.00   -0.0016510   -0.0002396   -0.0001995
 H    2.3409951   14.7636148    7.6405735  0.00    0.0005030    0.0008902   -0.0007735
 C   -0.1220548   15.2010428    9.6756078  0.00   -0.0002018    0.0040472   -0.0023252
 H    0.7402037   15.7485876   10.0651646  0.00    0.0010466    0.0028309    0.0009326
 H   -0.0845262   14.1891371   10.0891587  0.00   -0.0000443   -0.0006663   -0.0028567
 H   -1.0234965   15.6826026   10.0635936  0.00   -0.0013613    0.0027305    0.0010182
 C   -1.6140809   14.1780839    7.2284422  0.00    0.0028059    0.0054392   -0.0007969
 H   -2.5421939   14.5872387    7.6353216  0.00   -0.0005249    0.0008625   -0.0008148
 H   -1.5334291   13.1480063    7.5879629  0.00    0.0014167   -0.0005512   -0.0001158
 H   -1.7128581   14.1412093    6.1406511  0.00   -0.0016335   -0.0012031   -0.0010877
129
 Energy =   -2867.2881688320
 O   -0.1370722   15.6200262    3.8558544  0.00    0.0006286   -0.0228691   -0.0095112
Th   -0.2054484   17.8015334    4.9096491  0.00   -0.0002892    0.0181676    0.0087409
Si   -0.1186343   15.1579524    7.7995407  0.00   -0.0000970   -0.0033373    0.0053187
 N   -2.1910931   17.0167107    4.2210834  0.00    0.0041856   -0.0209312   -0.0018368
 N    1.8279065   17.1281073    4.2474900  0.00   -0.0021877   -0.0220350   -0.0009428
 C   -2.5900924   13.1966093    2.6304356  0.00   -0.0185650    0.0060366    0.0014737
 H   -2.6493398   12.1977967    2.2223987  0.00    0.0011858    0.0005912   -0.0002929
 C   -3.7592016   13.9217440    2.8202420  0.00    0.0025858   -0.0241205   -0.0093795
 C   -3.6676723   15.2137322    3.3499552  0.00   -0.0273374   -0.0042368   -0.0042660
 H   -4.5580886   15.8133570    3.4944564  0.00    0.0005891    0.0019310    0.0007556
 C   -2.4398394   15.7547722    3.6873164  0.00   -0.0025045    0.0079970    0.0008825
 C    2.1544987   15.8898364    3.7023241  0.00    0.0023017    0.0081068    0.0005965
 C    3.4131483   15.4294652    3.3601571  0.00    0.0271666   -0.0039602   -0.0048000
 H    4.2649455   16.0813232    3.5108253  0.00   -0.0003058    0.0021855    0.0007317
 C    3.5840052   14.1472177    2.8260233  0.00   -0.0006534   -0.0246340   -0.0095337
 C    2.4618133   13.3521007    2.6332312  0.00    0.0178393    0.0078193    0.0018568
 H    2.5828335   12.3599758    2.2226022  0.00   -0.0011367    0.0000902   -0.0004908
 C   -0.0529532   12.8997992    2.7314208  0.00   -0.0003336    0.0079323    0.0035687
 C   -1.3257141   13.7064589    2.9476454  0.00    0.0022031   -0.0405843   -0.0151144
 C   -1.3086524   14.9693631    3.4776504  0.00    0.0046958    0.0138350    0.0057036
 C    1.0727369   15.0399081    3.4835730  0.00   -0.0051021    0.0128718    0.0055455
 C    1.1678052   13.7823718    2.9497112  0.00    0.0004086   -0.0413193   -0.0153180
 C   -0.0178453   11.7364864    3.7359682  0.00   -0.0001200    0.0007412   -0.0006526
 H   -0.0297147   12.1030137    4.7641175  0.00   -0.0000031   -0.0004419    0.0011206
 H    0.8855475   11.1392342    3.5965178  0.00    0.0000171    0.0000001    0.0001482
 H   -0.8827116   11.0848814    3.5955270  0.00    0.0001022   -0.0000252    0.0002035
 C   -0.0349772   12.3403419    1.3027513  0.00   -0.0003387    0.0015113    0.0019089
 H   -0.8928346   11.6899641    1.1293517  0.00    0.0002059    0.0005475    0.0001841
 H    0.8611499   11.7435194    1.1305536  0.00   -0.0000160    0.0004103    0.0001497
 H   -0.0590861   13.1442775    0.5650607  0.00   -0.0000115    0.0002299   -0.0007990
 C   -5.1333135   13.3575000    2.4593042  0.00    0.0008768    0.0014314    0.0005956
 C   -6.0236876   13.3399926    3.7071343  0.00    0.0003364   -0.0002658   -0.0006211
 H   -5.5818767   12.7284384    4.4973973  0.00    0.0000074    0.0000966    0.0005810
 H   -7.0034861   12.9223137    3.4624475  0.00    0.0014097    0.0005810   -0.0002262
 H   -6.1858252   14.3435417    4.1055787  0.00   -0.0002407    0.0004812    0.0007626
 C   -5.7804516   14.2448941    1.3891579  0.00    0.0003065   -0.0005182    0.0004987
 H   -5.9183000   15.2702771    1.7389730  0.00   -0.0001282    0.0008914   -0.0002731
 H   -6.7649339   13.8527212    1.1218502  0.00    0.0014188    0.0002297    0.0007390
 H   -5.1710107   14.2745648    0.4826221  0.00    0.0001972    0.0005929   -0.0005847
 C   -5.0516097   11.9344225    1.9132891  0.00    0.0014277    0.0003351    0.0004696
 H   -4.4614094   11.8817440    0.9950824  0.00    0.0002731   -0.0002314   -0.0000739
 H   -6.0565958   11.5798208    1.6753857  0.00    0.0010512    0.0008160    0.0003902
 H   -4.6244567   11.2411919    2.6422090  0.00    0.0001942   -0.0000525   -0.0002455
 C    4.9913187   13.6661360    2.4727941  0.00   -0.0009229    0.0012008    0.0005618
 C    5.6053632   14.6071377    1.4295904  0.00   -0.0004135   -0.0004674    0.0004054
 H    6.6108129   14.2695427    1.1660465  0.00   -0.0014230    0.0001113    0.0007198
 H    5.6901626   15.6299647    1.8029302  0.00    0.0001215    0.0009291   -0.0002336
 H    5.0052680   14.6267845    0.5165703  0.00   -0.0001751    0.0006302   -0.0005412
 C    5.8630332   13.6724755    3.7340975  0.00   -0.0002641   -0.0003333   -0.0006643
 H    5.4459640   13.0186275    4.5036509  0.00   -0.0000490    0.0001287    0.0005725
 H    5.9590351   14.6746172    4.1569364  0.00    0.0002222    0.0006188    0.0007400
 H    6.8692304   13.3181608    3.4964645  0.00   -0.0015017    0.0005377   -0.0001879
 C    4.9947502   12.2517451    1.8987840  0.00   -0.0014136    0.0002983    0.0004698
 H    4.6018803   11.5210635    2.6101233  0.00   -0.0002108    0.0000051   -0.0002008
 H    6.0201334   11.9590304    1.6637572  0.00   -0.0011031    0.0008603    0.0004295
 H    4.4156560   12.1841930    0.9744779  0.00   -0.0002975   -0.0002258   -0.0000928
 C   -3.2272385   17.9979423    4.2625303  0.00   -0.0015823    0.0006265   -0.0052620
 C   -4.0264735   18.1526883    5.4185884  0.00    0.0143854    0.0046281    0.0052826
 C   -5.0010307   19.1461268    5.4246702  0.00   -0.0028286    0.0083763    0.0124434
 H   -5.6200983   19.2756219    6.3056739  0.00    0.0074903   -0.0041459   -0.0091227
 C   -5.2081531   19.9601607    4.3278680  0.00    0.0032961   -0.0041381    0.0004204
 H   -5.9746872   20.7263719    4.3553933  0.00    0.0029496   -0.0065232   -0.0014432
 C   -4.4422133   19.7861632    3.1894140  0.00    0.0058729    0.0108813   -0.0075968
 H   -4.6261501   20.4170759    2.3273912  0.00    0.0023507   -0.0079948    0.0072213
 C   -3.4504371   18.8139494    3.1251753  0.00    0.0135507    0.0058900    0.0094114
 C   -2.6986099   18.6219752    1.8239204  0.00    0.0093947    0.0021350   -0.0028419
 H   -1.8132140   18.0097735    2.0333342  0.00    0.0045907    0.0008931   -0.0035882
 C   -3.5461822   17.8490293    0.8102265  0.00   -0.0010054    0.0015839    0.0068482
 H   -3.8406616   16.8708433    1.1909395  0.00    0.0012759    0.0034616   -0.0001077
 H   -2.9865300   17.6985369   -0.1160826  0.00    0.0004775    0.0014720    0.0011321
 H   -4.4535655   18.4079493    0.5664756  0.00    0.0013525    0.0010964    0.0011533
 C   -2.2322283   19.9383828    1.2089246  0.00    0.0050768    0.0031633    0.0078859
 H   -3.0743877   20.5413970    0.8640275  0.00    0.0000333    0.0019961    0.0007428
 H   -1.6034634   19.7426051    0.3385375  0.00    0.0038099    0.0030680   -0.0013884
 H   -1.6595818   20.5471776    1.9133882  0.00   -0.0026843    0.0009905   -0.0000757
 C   -3.9084300   17.2445785    6.6231153  0.00    0.0082722   -0.0007116    0.0023724
 H   -3.0249329   16.6186200    6.4804123  0.00    0.0001435   -0.0012944    0.0035669
 C   -5.1157168   16.3110909    6.7274636  0.00    0.0004834    0.0052191    0.0001325
 H   -6.0411974   16.8787882    6.8530376  0.00    0.0007679    0.0002143   -0.0005639
 H   -5.0109988   15.6510903    7.5921871  0.00    0.0005610    0.0023344   -0.0020266
 H   -5.2180899   15.6848994    5.8407740  0.00    0.0003903    0.0007714   -0.0003188
 C   -3.7420779   18.0240109    7.9259065  0.00   -0.0016626    0.0002819    0.0018218
 H   -2.9100259   18.7317907    7.8847323  0.00    0.0008953    0.0055057   -0.0016854
 H   -3.5611441   17.3371973    8.7561003  0.00    0.0027050    0.0018396    0.0013279
 H   -4.6409824   18.5943120    8.1706411  0.00    0.0024413    0.0003606    0.0000261
 C    2.7911924   18.1800285    4.2828626  0.00    0.0015551   -0.0009430   -0.0048402
 C    2.9820902   18.9745156    3.1262756  0.00   -0.0151510    0.0051883    0.0078708
 C    3.8794234   20.0343135    3.1865766  0.00   -0.0053262    0.0119329   -0.0071067
 H    4.0349399   20.6507291    2.3077353  0.00   -0.0020918   -0.0082267    0.0081841
 C    4.5876102   20.3114160    4.3418795  0.00   -0.0042548   -0.0047546    0.0005014
 H    5.2800825   21.1450960    4.3686549  0.00   -0.0021973   -0.0053605   -0.0005411
 C    4.4248574   19.5090056    5.4553893  0.00    0.0004281    0.0075995    0.0132298
 H    5.0076227   19.7152981    6.3463302  0.00   -0.0061223   -0.0053158   -0.0084860
 C    3.5461392   18.4294721    5.4522988  0.00   -0.0131789    0.0048795    0.0035703
 C    3.4989068   17.5218776    6.6623763  0.00   -0.0085764   -0.0022377    0.0019915
 H    2.6629132   16.8324540    6.5258322  0.00    0.0000539   -0.0012840    0.0037296
 C    4.7726214   16.6785447    6.7532078  0.00   -0.0005205    0.0056391    0.0002291
 H    4.9133666   16.0652149    5.8626348  0.00   -0.0005278    0.0008005   -0.0003931
 H    4.7239588   16.0093545    7.6157812  0.00   -0.0008224    0.0022573   -0.0018772
 H    5.6546034   17.3129535    6.8731462  0.00   -0.0011532    0.0000532   -0.0006871
 C    3.2876859   18.2824855    7.9690495  0.00    0.0016326    0.0016167    0.0003574
 H    4.1383196   18.9264081    8.2034276  0.00   -0.0027204    0.0001156   -0.0000591
 H    3.1796433   17.5799670    8.7987788  0.00   -0.0044563    0.0029328    0.0008451
 H    2.3967981   18.9155486    7.9450385  0.00   -0.0003494    0.0074360   -0.0046407
 C    2.2913457   18.6777514    1.8119054  0.00   -0.0072332    0.0023976   -0.0036244
 H    1.5734455   17.8692757    1.9821550  0.00   -0.0042585    0.0012319   -0.0028803
 C    1.5283274   19.8857241    1.2763379  0.00   -0.0084661    0.0010332    0.0082290
 H    0.7980204   20.2648794    1.9975392  0.00    0.0031013    0.0019335   -0.0023756
 H    0.9934264   19.6214384    0.3619584  0.00   -0.0038366    0.0028309   -0.0019100
 H    2.2009028   20.7107941    1.0338293  0.00    0.0018834    0.0030481   -0.0005033
 C    3.2899069   18.1772478    0.7666615  0.00    0.0000414    0.0010588    0.0074868
 H    4.0363160   18.9428974    0.5408226  0.00   -0.0008530    0.0007774    0.0008557
 H    2.7731199   17.9305027   -0.1637916  0.00   -0.0009851    0.0014128    0.0016158
 H    3.8132253   17.2836313    1.1093470  0.00   -0.0023249    0.0030659    0.0003603
 C   -0.1869420   16.9265040    7.1308332  0.00   -0.0003783   -0.0066580    0.0068793
 H    0.6675443   17.4528887    7.5924237  0.00    0.0024731    0.0053569   -0.0075187
 H   -1.0904057   17.3758103    7.5799143  0.00   -0.0021525    0.0074181   -0.0075311
 C    1.4451380   14.2887990    7.2328777  0.00   -0.0035571   -0.0006973    0.0017175
 H    1.5485934   14.2557459    6.1454170  0.00    0.0016321   -0.0002293   -0.0010862
 H    1.4376378   13.2559737    7.5950826  0.00   -0.0026797    0.0072441   -0.0019914
 H    2.3410116   14.7636787    7.6405224  0.00    0.0007415    0.0011653   -0.0009760
 C   -0.1220727   15.2014601    9.6754770  0.00   -0.0000493   -0.0028344    0.0006000
 H    0.7402565   15.7487708   10.0652171  0.00    0.0007863    0.0031458    0.0010097
 H   -0.0845319   14.1891129   10.0888928  0.00   -0.0002248    0.0046128   -0.0049408
 H   -1.0235717   15.6827797   10.0636518  0.00   -0.0010666    0.0030438    0.0010818
 C   -1.6139633   14.1784861    7.2283280  0.00    0.0032825   -0.0008036    0.0017912
 H   -2.5422092   14.5873042    7.6352653  0.00   -0.0007260    0.0010196   -0.0010580
 H   -1.5333142   13.1479501    7.5879581  0.00    0.0018863    0.0069161   -0.0018936
 H   -1.7129760   14.1411107    6.1405653  0.00   -0.0015276   -0.0004465   -0.0011842
129
 Energy =   -2867.2881948550
 O   -0.1370072   15.6180928    3.8550806  0.00    0.0000381    0.0027411    0.0028687
Th   -0.2054166   17.8011295    4.9096245  0.00    0.0005337    0.0002620    0.0058730
Si   -0.1186756   15.1584491    7.7996836  0.00    0.0002180   -0.0127624    0.0075463
 N   -2.1919533   17.0153365    4.2207788  0.00    0.0171112    0.0025629    0.0067475
 N    1.8289203   17.1267080    4.2472172  0.00   -0.0168873    0.0009541    0.0078737
 C   -2.5905288   13.1967936    2.6305186  0.00   -0.0059685   -0.0147923   -0.0059412
 H   -2.6492395   12.1980288    2.2224467  0.00   -0.0019390   -0.0012530   -0.0012426
 C   -3.7591874   13.9211879    2.8200415  0.00   -0.0147060   -0.0095128   -0.0050795
 C   -3.6690125   15.2131502    3.3496234  0.00    0.0011354   -0.0017633   -0.0011714
 H   -4.5580881   15.8136157    3.4945492  0.00   -0.0097843    0.0035142    0.0004197
 C   -2.4406524   15.7544134    3.6869633  0.00   -0.0022981   -0.0083057   -0.0044474
 C    2.1553446   15.8894908    3.7019350  0.00    0.0034128   -0.0087169   -0.0049552
 C    3.4145486   15.4288990    3.3598039  0.00   -0.0015918   -0.0018245   -0.0012405
 H    4.2649315   16.0815825    3.5109126  0.00    0.0096933    0.0040204    0.0003519
 C    3.5840383   14.1466372    2.8258219  0.00    0.0157959   -0.0092885   -0.0053972
 C    2.4622377   13.3523219    2.6333267  0.00    0.0065542   -0.0147730   -0.0060106
 H    2.5827211   12.3601941    2.2226468  0.00    0.0020551   -0.0012313   -0.0013064
 C   -0.0529685   12.9001233    2.7316114  0.00    0.0002822   -0.0137150   -0.0053733
 C   -1.3259184   13.7051774    2.9472334  0.00    0.0005465   -0.0012956    0.0001210
 C   -1.3088907   14.9688906    3.4774845  0.00   -0.0039877   -0.0087790   -0.0055822
 C    1.0730132   15.0393972    3.4833993  0.00    0.0048248   -0.0082301   -0.0055143
 C    1.1680805   13.7810728    2.9492956  0.00   -0.0002811   -0.0020103   -0.0000297
 C   -0.0178481   11.7365058    3.7359855  0.00   -0.0000291   -0.0006365    0.0000020
 H   -0.0297161   12.1029786    4.7641784  0.00    0.0000072   -0.0005476    0.0008876
 H    0.8855546   11.1392214    3.5965226  0.00   -0.0002578    0.0004072    0.0001112
 H   -0.8827114   11.0848647    3.5955368  0.00    0.0002500    0.0003214    0.0001462
 C   -0.0349859   12.3404237    1.3028128  0.00   -0.0000607   -0.0003077    0.0010085
 H   -0.8928307   11.6899853    1.1293601  0.00    0.0004397    0.0009262    0.0004431
 H    0.8611509   11.7435365    1.1305614  0.00   -0.0005056    0.0009214    0.0004658
 H   -0.0590882   13.1442947    0.5649942  0.00   -0.0000166    0.0000799   -0.0000944
 C   -5.1331387   13.3575752    2.4593503  0.00   -0.0028922   -0.0050093   -0.0023280
 C   -6.0236249   13.3400120    3.7071309  0.00    0.0005390    0.0002688    0.0000405
 H   -5.5818834   12.7284376    4.4974401  0.00    0.0000308    0.0002412    0.0003750
 H   -7.0034145   12.9223450    3.4624273  0.00    0.0013920    0.0004425   -0.0005021
 H   -6.1858562   14.3435670    4.1056351  0.00    0.0000162   -0.0000695    0.0004622
 C   -5.7803829   14.2449088    1.3891838  0.00    0.0006180    0.0002327    0.0002512
 H   -5.9183240   15.2703370    1.7389476  0.00    0.0001194    0.0003125   -0.0003648
 H   -6.7648601   13.8527310    1.1218954  0.00    0.0013781   -0.0000475    0.0008480
 H   -5.1710054   14.2746029    0.4825741  0.00    0.0001076    0.0005576   -0.0001826
 C   -5.0515150   11.9344661    1.9133176  0.00   -0.0006303   -0.0003329   -0.0002137
 H   -4.4613936   11.8817211    0.9950530  0.00    0.0004344   -0.0001129    0.0002077
 H   -6.0565239   11.5798584    1.6754069  0.00    0.0012510    0.0008855    0.0004391
 H   -4.6244482   11.2411623    2.6422112  0.00    0.0004804    0.0000757   -0.0001875
 C    4.9911444   13.6661959    2.4728394  0.00    0.0032594   -0.0050748   -0.0024218
 C    5.6052903   14.6071503    1.4296155  0.00   -0.0006746    0.0002432    0.0002124
 H    6.6107369   14.2695457    1.1660917  0.00   -0.0014018   -0.0001495    0.0008275
 H    5.6901874   15.6300272    1.8029100  0.00   -0.0001031    0.0003211   -0.0003587
 H    5.0052637   14.6268251    0.5165217  0.00   -0.0001234    0.0005970   -0.0001580
 C    5.8629697   13.6724925    3.7340948  0.00   -0.0005114    0.0002300    0.0000019
 H    5.4459705   13.0186270    4.5036920  0.00   -0.0000970    0.0002788    0.0003992
 H    5.9590664   14.6746496    4.1569882  0.00   -0.0000120    0.0000131    0.0004265
 H    6.8691526   13.3181890    3.4964509  0.00   -0.0013832    0.0003803   -0.0004908
 C    4.9946535   12.2517863    1.8988129  0.00    0.0007134   -0.0003238   -0.0002173
 H    4.6018728   11.5210392    2.6101275  0.00   -0.0004941    0.0001143   -0.0001525
 H    6.0200592   11.9590727    1.6637837  0.00   -0.0012650    0.0008679    0.0004474
 H    4.4156390   12.1841696    0.9744489  0.00   -0.0004459   -0.0001091    0.0002066
 C   -3.2265390   17.9985942    4.2627749  0.00    0.0038706   -0.0099096   -0.0019974
 C   -4.0251437   18.1533221    5.4191127  0.00    0.0023525    0.0070767    0.0049408
 C   -5.0007448   19.1461023    5.4251589  0.00    0.0097196    0.0095014   -0.0061798
 H   -5.6197428   19.2754576    6.3052905  0.00    0.0006481   -0.0030900    0.0014239
 C   -5.2080799   19.9597935    4.3277256  0.00    0.0087460   -0.0068339    0.0020197
 H   -5.9744795   20.7260826    4.3553326  0.00    0.0013334   -0.0070478   -0.0022700
 C   -4.4415966   19.7862867    3.1891831  0.00    0.0044678    0.0061730    0.0100817
 H   -4.6260674   20.4167768    2.3276884  0.00    0.0018630   -0.0029920   -0.0008972
 C   -3.4490711   18.8147109    3.1257794  0.00    0.0069918    0.0068999    0.0001340
 C   -2.6981054   18.6221987    1.8240249  0.00    0.0080553    0.0011593   -0.0015960
 H   -1.8128592   18.0097968    2.0330343  0.00    0.0061820    0.0003481   -0.0034061
 C   -3.5461164   17.8492201    0.8105482  0.00    0.0011325    0.0027652    0.0036259
 H   -3.8406032   16.8710186    1.1909458  0.00    0.0011534    0.0023715    0.0013816
 H   -2.9865421   17.6986073   -0.1160202  0.00   -0.0005771    0.0021808    0.0038844
 H   -4.4535056   18.4080233    0.5665440  0.00    0.0015121    0.0017106    0.0020145
 C   -2.2319398   19.9385855    1.2091220  0.00    0.0038854    0.0023662    0.0020395
 H   -3.0742606   20.5414922    0.8641801  0.00    0.0008273    0.0011692    0.0011315
 H   -1.6032443   19.7428244    0.3384861  0.00    0.0029032    0.0041426    0.0010193
 H   -1.6597512   20.5473940    1.9136262  0.00   -0.0002262    0.0026161    0.0013261
 C   -3.9080116   17.2447231    6.6231845  0.00    0.0058610   -0.0012315    0.0043693
 H   -3.0248995   16.6184490    6.4806798  0.00    0.0024291   -0.0024657    0.0036246
 C   -5.1156257   16.3113684    6.7273981  0.00    0.0019254    0.0034562   -0.0011150
 H   -6.0411767   16.8788134    6.8530104  0.00    0.0004018    0.0015470   -0.0005820
 H   -5.0109897   15.6512092    7.5920927  0.00    0.0009508    0.0033191   -0.0025748
 H   -5.2180993   15.6849421    5.8407813  0.00    0.0009201    0.0019777    0.0003336
 C   -3.7419399   18.0240878    7.9260423  0.00    0.0014423    0.0010158    0.0016914
 H   -2.9100731   18.7322918    7.8845210  0.00   -0.0002264    0.0033790   -0.0004242
 H   -3.5610082   17.3372202    8.7562446  0.00    0.0031319    0.0030110    0.0009273
 H   -4.6407995   18.5943783    8.1706208  0.00    0.0010607    0.0005170    0.0002975
 C    2.7904689   18.1805584    4.2830609  0.00   -0.0029615   -0.0106310   -0.0027701
 C    2.9806409   18.9752015    3.1267955  0.00   -0.0074550    0.0065281    0.0003361
 C    3.8788085   20.0344642    3.1864053  0.00   -0.0054188    0.0064906    0.0101142
 H    4.0348719   20.6504052    2.3080783  0.00   -0.0015795   -0.0028955   -0.0002759
 C    4.5875188   20.3110769    4.3418199  0.00   -0.0083985   -0.0069894    0.0023432
 H    5.2798848   21.1448561    4.3686527  0.00   -0.0010274   -0.0063813   -0.0011362
 C    4.4245247   19.5089302    5.4559109  0.00   -0.0096725    0.0090369   -0.0051766
 H    5.0073476   19.7150686    6.3459969  0.00   -0.0003669   -0.0036795    0.0014018
 C    3.5448293   18.4300048    5.4527288  0.00   -0.0034553    0.0057967    0.0045556
 C    3.4984608   17.5219482    6.6624256  0.00   -0.0050894   -0.0011980    0.0034825
 H    2.6628921   16.8322777    6.5261102  0.00   -0.0025251   -0.0029832    0.0036349
 C    4.7725135   16.6788297    6.7531450  0.00   -0.0022426    0.0032770   -0.0010482
 H    4.9133700   16.0652677    5.8626436  0.00   -0.0010884    0.0019263    0.0002967
 H    4.7239350   16.0094818    7.6156859  0.00   -0.0012199    0.0032082   -0.0024255
 H    5.6545686   17.3129766    6.8731122  0.00   -0.0006649    0.0016769   -0.0006579
 C    3.2875176   18.2826170    7.9691061  0.00   -0.0016835    0.0015823    0.0003224
 H    4.1381060   18.9264579    8.2034068  0.00   -0.0009386    0.0005441    0.0000781
 H    3.1794157   17.5800660    8.7988849  0.00   -0.0052792    0.0044238    0.0001986
 H    2.3968775   18.9162543    7.9445521  0.00    0.0007815    0.0052293   -0.0031169
 C    2.2908914   18.6779979    1.8119867  0.00   -0.0074617    0.0004659   -0.0022205
 H    1.5731542   17.8693420    1.9818850  0.00   -0.0051184    0.0009523   -0.0025960
 C    1.5280007   19.8858857    1.2764934  0.00   -0.0050222    0.0021236    0.0013888
 H    0.7980764   20.2651151    1.9976257  0.00   -0.0000097    0.0033373   -0.0000614
 H    0.9931658   19.6216691    0.3619158  0.00   -0.0033459    0.0035456   -0.0000819
 H    2.2009247   20.7108618    1.0338765  0.00   -0.0000092    0.0013397    0.0001255
 C    3.2897963   18.1773957    0.7670111  0.00   -0.0016241    0.0025961    0.0038743
 H    4.0362721   18.9429346    0.5408791  0.00   -0.0012913    0.0009344    0.0016616
 H    2.7730962   17.9305835   -0.1636952  0.00   -0.0001593    0.0021711    0.0043335
 H    3.8131093   17.2837813    1.1093905  0.00   -0.0019813    0.0019387    0.0019228
 C   -0.1869494   16.9256357    7.1320420  0.00   -0.0007033    0.0061389   -0.0101048
 H    0.6675821   17.4532468    7.5916575  0.00    0.0043330    0.0057930   -0.0046057
 H   -1.0904340   17.3763740    7.5791555  0.00   -0.0040013    0.0074505   -0.0046213
 C    1.4449132   14.2890288    7.2328790  0.00   -0.0004378    0.0003630    0.0000681
 H    1.5487263   14.2556884    6.1453333  0.00    0.0007187    0.0003942    0.0006678
 H    1.4374641   13.2562181    7.5950063  0.00   -0.0030816    0.0067044   -0.0012985
 H    2.3410472   14.7637534    7.6404560  0.00   -0.0007455    0.0004697   -0.0013584
 C   -0.1220847   15.2015915    9.6754133  0.00   -0.0001083   -0.0000884    0.0033540
 H    0.7403139   15.7489876   10.0652853  0.00   -0.0008926    0.0018454    0.0001844
 H   -0.0845429   14.1892568   10.0885717  0.00   -0.0001687    0.0032042   -0.0036878
 H   -1.0236521   15.6829897   10.0637260  0.00    0.0006483    0.0019038    0.0002909
 C   -1.6137690   14.1786963    7.2283307  0.00    0.0002047    0.0000049    0.0001346
 H   -2.5422442   14.5873745    7.6351931  0.00    0.0006781    0.0004188   -0.0014022
 H   -1.5331790   13.1481710    7.5878884  0.00    0.0022869    0.0064453   -0.0012405
 H   -1.7130981   14.1410395    6.1404786  0.00   -0.0006844    0.0001864    0.0005849
129
 Energy =   -2867.2882148010
 O   -0.1369566   15.6168078    3.8546485  0.00    0.0000551    0.0083967    0.0048701
Th   -0.2053526   17.8004169    4.9097424  0.00    0.0006975   -0.0046489    0.0041343
Si   -0.1187002   15.1583199    7.8000966  0.00    0.0000435   -0.0094805    0.0046750
 N   -2.1919512   17.0144481    4.2208206  0.00    0.0166927    0.0041739    0.0052713
 N    1.8290434   17.1257370    4.2473242  0.00   -0.0166031    0.0024689    0.0057485
 C   -2.5910264   13.1961561    2.6302774  0.00   -0.0026126   -0.0009733   -0.0001687
 H   -2.6492644   12.1981510    2.2224273  0.00   -0.0040483   -0.0143742   -0.0065824
 C   -3.7599191   13.9204717    2.8197086  0.00   -0.0026199   -0.0032151   -0.0016225
 C   -3.6697702   15.2126555    3.3493489  0.00    0.0002564    0.0006227   -0.0007645
 H   -4.5585829   15.8139844    3.4946392  0.00   -0.0065729   -0.0012376   -0.0010571
 C   -2.4413948   15.7537700    3.6865097  0.00    0.0088896   -0.0102650   -0.0027501
 C    2.1561599   15.8888363    3.7014334  0.00   -0.0085060   -0.0107226   -0.0026235
 C    3.4153298   15.4284079    3.3595136  0.00    0.0006475    0.0005313   -0.0011214
 H    4.2654109   16.0819760    3.5109957  0.00    0.0063392   -0.0012821   -0.0012214
 C    3.5848460   14.1459168    2.8254743  0.00    0.0024923   -0.0032071   -0.0017231
 C    2.4627611   13.3517023    2.6330902  0.00    0.0031292   -0.0017088   -0.0005017
 H    2.5827419   12.3603087    2.2226225  0.00    0.0049264   -0.0142308   -0.0066814
 C   -0.0529634   12.8996246    2.7314625  0.00    0.0002398   -0.0102857   -0.0031827
 C   -1.3260452   13.7044437    2.9470461  0.00   -0.0061471   -0.0017326   -0.0015842
 C   -1.3092353   14.9679902    3.4770512  0.00   -0.0043839   -0.0028378   -0.0034085
 C    1.0734337   15.0384963    3.4829634  0.00    0.0045477   -0.0028810   -0.0036459
 C    1.1682549   13.7802960    2.9491004  0.00    0.0060813   -0.0009793   -0.0013234
 C   -0.0178511   11.7364778    3.7360038  0.00    0.0000893   -0.0035186    0.0009628
 H   -0.0297170   12.1029271    4.7642648  0.00   -0.0000045   -0.0002793   -0.0003505
 H    0.8855448   11.1392323    3.5965309  0.00    0.0000280   -0.0003137    0.0004320
 H   -0.8826967   11.0848688    3.5955505  0.00   -0.0000839   -0.0004851    0.0004607
 C   -0.0349940   12.3404577    1.3028939  0.00    0.0001833   -0.0029622   -0.0033410
 H   -0.8928053   11.6900441    1.1293879  0.00    0.0000355    0.0003088   -0.0001013
 H    0.8611259   11.7435919    1.1305901  0.00   -0.0002727    0.0004598   -0.0000162
 H   -0.0590904   13.1443103    0.5649418  0.00   -0.0000124   -0.0003918    0.0013653
 C   -5.1331531   13.3573753    2.4592660  0.00   -0.0086087   -0.0052781   -0.0029129
 C   -6.0235532   13.3400413    3.7071355  0.00   -0.0005164   -0.0005210    0.0002325
 H   -5.5818874   12.7284468    4.4974887  0.00    0.0001365    0.0003217    0.0001179
 H   -7.0032973   12.9223879    3.4623885  0.00    0.0006771    0.0001541   -0.0003455
 H   -6.1858788   14.3435797    4.1056969  0.00    0.0004791   -0.0003118   -0.0001118
 C   -5.7803022   14.2449356    1.3892118  0.00   -0.0003053   -0.0001245   -0.0007798
 H   -5.9183367   15.2703927    1.7389113  0.00    0.0005186   -0.0002761   -0.0000216
 H   -6.7647418   13.8527352    1.1219680  0.00    0.0007096   -0.0001124    0.0004238
 H   -5.1709967   14.2746555    0.4825297  0.00    0.0001157    0.0004435    0.0002024
 C   -5.0514840   11.9344776    1.9133250  0.00   -0.0009705   -0.0027406   -0.0013401
 H   -4.4613615   11.8816983    0.9950382  0.00    0.0002682    0.0000193    0.0005428
 H   -6.0564099   11.5799255    1.6754428  0.00   -0.0001813   -0.0000971   -0.0000870
 H   -4.6244199   11.2411411    2.6422063  0.00    0.0004232    0.0003194   -0.0002694
 C    4.9911777   13.6659820    2.4727509  0.00    0.0091629   -0.0049128   -0.0030534
 C    5.6052044   14.6071758    1.4296416  0.00    0.0004136   -0.0001703   -0.0007204
 H    6.6106163   14.2695397    1.1661641  0.00   -0.0007695   -0.0001427    0.0004073
 H    5.6902023   15.6300843    1.8028785  0.00   -0.0004953   -0.0002994   -0.0000262
 H    5.0052559   14.6268808    0.5164786  0.00   -0.0001836    0.0004787    0.0001686
 C    5.8628987   13.6725179    3.7340988  0.00    0.0005594   -0.0004527    0.0002798
 H    5.4459717   13.0186375    4.5037410  0.00   -0.0001916    0.0003754    0.0001488
 H    5.9590899   14.6746709    4.1570453  0.00   -0.0004892   -0.0003280   -0.0002009
 H    6.8690315   13.3182262    3.4964186  0.00   -0.0005649    0.0001023   -0.0003503
 C    4.9946255   12.2517969    1.8988212  0.00    0.0012176   -0.0028401   -0.0014451
 H    4.6018449   11.5210236    2.6101258  0.00   -0.0004325    0.0003354   -0.0002374
 H    6.0199437   11.9591416    1.6638244  0.00    0.0002729   -0.0000933   -0.0001167
 H    4.4156059   12.1841461    0.9744349  0.00   -0.0002565    0.0000263    0.0005763
 C   -3.2256324   17.9986444    4.2629508  0.00    0.0010626   -0.0047864    0.0017235
 C   -4.0240470   18.1541423    5.4197000  0.00    0.0041897   -0.0009969   -0.0012314
 C   -5.0000420   19.1464793    5.4251581  0.00    0.0114821    0.0018773    0.0042781
 H   -5.6194827   19.2752145    6.3051264  0.00    0.0011014   -0.0020550    0.0007426
 C   -5.2076411   19.9592055    4.3276965  0.00    0.0017519    0.0068168   -0.0001638
 H   -5.9742507   20.7255470    4.3551860  0.00    0.0023742   -0.0098620   -0.0025835
 C   -4.4409439   19.7866035    3.1895426  0.00    0.0111050    0.0017324    0.0055891
 H   -4.6259312   20.4164672    2.3278216  0.00    0.0018415   -0.0012955   -0.0016059
 C   -3.4477351   18.8155937    3.1262514  0.00    0.0046899   -0.0005480   -0.0010884
 C   -2.6973596   18.6224181    1.8240259  0.00    0.0029507    0.0027233    0.0015697
 H   -1.8123171   18.0098295    2.0326552  0.00    0.0079448   -0.0004328   -0.0028074
 C   -3.5460075   17.8494896    0.8109329  0.00    0.0031446    0.0033853    0.0011138
 H   -3.8405094   16.8712508    1.1910169  0.00    0.0011678    0.0016564    0.0028842
 H   -2.9865794   17.6987570   -0.1157952  0.00   -0.0008806    0.0024323    0.0046704
 H   -4.4533927   18.4081562    0.5666889  0.00    0.0015160    0.0026359    0.0029645
 C   -2.2315367   19.9388515    1.2093450  0.00    0.0013099    0.0016631   -0.0044686
 H   -3.0741241   20.5416148    0.8643514  0.00    0.0023735   -0.0002038    0.0018604
 H   -1.6029526   19.7431724    0.3384953  0.00    0.0027114    0.0052802    0.0024411
 H   -1.6598919   20.5476808    1.9138765  0.00    0.0026205    0.0045422    0.0032364
 C   -3.9074418   17.2447689    6.6234570  0.00   -0.0002963    0.0033165    0.0026825
 H   -3.0247693   16.6182099    6.4810420  0.00    0.0051962   -0.0034426    0.0032392
 C   -5.1154655   16.3117176    6.7272957  0.00    0.0026163    0.0021913   -0.0014730
 H   -6.0411445   16.8789055    6.8529638  0.00    0.0008738    0.0026971   -0.0007108
 H   -5.0109403   15.6514497    7.5919056  0.00    0.0010596    0.0032198   -0.0020457
 H   -5.2180675   15.6850620    5.8408006  0.00    0.0016077    0.0029565    0.0003387
 C   -3.7417515   18.0241935    7.9262308  0.00    0.0040677    0.0019885    0.0013573
 H   -2.9101272   18.7328303    7.8843373  0.00   -0.0009410    0.0016160    0.0007318
 H   -3.5607717   17.3373683    8.7563897  0.00    0.0036908    0.0033667    0.0020198
 H   -4.6406080   18.5944504    8.1706146  0.00   -0.0001267    0.0004636    0.0004639
 C    2.7895859   18.1804730    4.2831571  0.00   -0.0002631   -0.0047123    0.0017832
 C    2.9792304   18.9760106    3.1272252  0.00   -0.0041549   -0.0006542   -0.0010018
 C    3.8781073   20.0348167    3.1868106  0.00   -0.0120921    0.0003351    0.0056912
 H    4.0347591   20.6500789    2.3082734  0.00   -0.0015784   -0.0007295   -0.0013355
 C    4.5870853   20.3105092    4.3418720  0.00   -0.0018571    0.0074721    0.0009492
 H    5.2796762   21.1443830    4.3686017  0.00   -0.0021399   -0.0096426   -0.0013778
 C    4.4238054   19.5092470    5.4559814  0.00   -0.0119413    0.0012363    0.0033807
 H    5.0071543   19.7147530    6.3458672  0.00   -0.0006040   -0.0025563    0.0013480
 C    3.5436914   18.4306807    5.4532392  0.00   -0.0041487   -0.0018236   -0.0014453
 C    3.4979099   17.5219479    6.6626422  0.00    0.0001010    0.0033185    0.0020025
 H    2.6627642   16.8320088    6.5264802  0.00   -0.0047825   -0.0038855    0.0032350
 C    4.7723254   16.6791754    6.7530474  0.00   -0.0028669    0.0016627   -0.0015464
 H    4.9133271   16.0653917    5.8626619  0.00   -0.0017926    0.0028273    0.0003843
 H    4.7238625   16.0097236    7.6155052  0.00   -0.0013321    0.0031772   -0.0019450
 H    5.6545149   17.3130732    6.8730580  0.00   -0.0010514    0.0028939   -0.0007475
 C    3.2872925   18.2827866    7.9691761  0.00   -0.0042333    0.0022579    0.0002491
 H    4.1378974   18.9265181    8.2033907  0.00    0.0004589    0.0006279    0.0000916
 H    3.1790160   17.5803337    8.7989688  0.00   -0.0060839    0.0049053    0.0010515
 H    2.3969795   18.9170354    7.9440351  0.00    0.0014080    0.0034112   -0.0017509
 C    2.2902054   18.6781941    1.8119420  0.00   -0.0037460    0.0028839    0.0017156
 H    1.5727103   17.8694383    1.9815643  0.00   -0.0066797   -0.0003570   -0.0018898
 C    1.5275224   19.8861154    1.2766551  0.00    0.0005741    0.0030795   -0.0064619
 H    0.7981164   20.2654448    1.9976957  0.00   -0.0040921    0.0050799    0.0031137
 H    0.9928218   19.6220013    0.3618863  0.00   -0.0035124    0.0043588    0.0010167
 H    2.2009410   20.7109689    1.0339212  0.00   -0.0025804   -0.0011912    0.0010028
 C    3.2896341   18.1776267    0.7674273  0.00   -0.0031969    0.0031099    0.0008673
 H    4.0361812   18.9430032    0.5409997  0.00   -0.0015780    0.0015854    0.0025865
 H    2.7730737   17.9307409   -0.1634249  0.00    0.0001170    0.0024051    0.0050681
 H    3.8129368   17.2839751    1.1095150  0.00   -0.0019091    0.0012879    0.0034377
 C   -0.1869892   16.9252757    7.1324496  0.00   -0.0003990    0.0106823   -0.0129688
 H    0.6678128   17.4537825    7.5908768  0.00    0.0023457    0.0041562   -0.0042510
 H   -1.0906412   17.3771403    7.5783786  0.00   -0.0021632    0.0058760   -0.0040062
 C    1.4447502   14.2892012    7.2328756  0.00    0.0017261    0.0041050   -0.0020348
 H    1.5488536   14.2556641    6.1453035  0.00   -0.0003791    0.0009437    0.0015169
 H    1.4371962   13.2567007    7.5948908  0.00   -0.0026290    0.0015009    0.0005962
 H    2.3410345   14.7638302    7.6403461  0.00   -0.0014051    0.0001869   -0.0011288
 C   -0.1220988   15.2016911    9.6755481  0.00   -0.0002245    0.0046205    0.0028123
 H    0.7403102   15.7492273   10.0653388  0.00   -0.0014317    0.0009612   -0.0000805
 H   -0.0845593   14.1895145   10.0881620  0.00    0.0000041   -0.0014701   -0.0001468
 H   -1.0236767   15.6832273   10.0637886  0.00    0.0011796    0.0010976    0.0000653
 C   -1.6136376   14.1788363    7.2283313  0.00   -0.0021067    0.0035113   -0.0020621
 H   -2.5422339   14.5874464    7.6350764  0.00    0.0012003    0.0001631   -0.0011369
 H   -1.5329758   13.1486242    7.5877802  0.00    0.0021665    0.0012910    0.0005946
 H   -1.7132160   14.1409960    6.1404429  0.00    0.0003445    0.0007621    0.0015397
129
 Energy =   -2867.2882407380
 O   -0.1368600   15.6149377    3.8540958  0.00   -0.0001862    0.0067542    0.0029222
Th   -0.2052030   17.7988164    4.9100900  0.00    0.0004369   -0.0040013    0.0003884
Si   -0.1187500   15.1578296    7.8009359  0.00   -0.0004922    0.0053775   -0.0035768
 N   -2.1913267   17.0129654    4.2210229  0.00    0.0072959    0.0009778   -0.0002644
 N    1.8286538   17.1240327    4.2476416  0.00   -0.0070620    0.0008393   -0.0006146
 C   -2.5919697   13.1954027    2.6300158  0.00    0.0024214   -0.0117910   -0.0045258
 H   -2.6495469   12.1973453    2.2219429  0.00   -0.0062330   -0.0133542   -0.0059809
 C   -3.7609646   13.9192003    2.8191320  0.00    0.0003156    0.0136970    0.0051293
 C   -3.6711976   15.2118472    3.3488233  0.00    0.0097205    0.0026880    0.0007277
 H   -4.5596559   15.8144520    3.4947118  0.00   -0.0003328   -0.0082921   -0.0031663
 C   -2.4420107   15.7522669    3.6856892  0.00    0.0052339    0.0004452    0.0025431
 C    2.1568872   15.8872943    3.7005552  0.00   -0.0036236   -0.0006360    0.0025370
 C    3.4168817   15.4275989    3.3589336  0.00   -0.0110587    0.0024782    0.0008283
 H    4.2664439   16.0824704    3.5110467  0.00    0.0011030   -0.0086012   -0.0033724
 C    3.5859874   14.1446308    2.8248739  0.00   -0.0010958    0.0135315    0.0048792
 C    2.4637715   13.3509321    2.6328164  0.00   -0.0022036   -0.0118788   -0.0044155
 H    2.5830792   12.3594966    2.2221235  0.00    0.0071055   -0.0138389   -0.0063607
 C   -0.0529454   12.8984062    2.7311320  0.00    0.0000743   -0.0000170   -0.0001007
 C   -1.3267329   13.7029643    2.9465618  0.00   -0.0006000    0.0031060   -0.0004647
 C   -1.3099426   14.9664593    3.4762131  0.00    0.0073437    0.0004824   -0.0007046
 C    1.0742655   15.0369341    3.4820993  0.00   -0.0075193    0.0008085   -0.0006471
 C    1.1690195   13.7788177    2.9486268  0.00    0.0011187    0.0024293   -0.0008904
 C   -0.0178494   11.7361822    3.7361050  0.00    0.0001312   -0.0051922    0.0011510
 H   -0.0297190   12.1028301    4.7643705  0.00   -0.0000108   -0.0000206   -0.0020370
 H    0.8855358   11.1392163    3.5965750  0.00    0.0016510   -0.0029987    0.0011083
 H   -0.8826821   11.0848309    3.5956054  0.00   -0.0015954   -0.0033018    0.0011290
 C   -0.0349948   12.3403080    1.3027630  0.00    0.0001793   -0.0050663   -0.0051747
 H   -0.8927688   11.6901448    1.1294173  0.00   -0.0020785   -0.0024457   -0.0022128
 H    0.8610766   11.7436968    1.1306265  0.00    0.0020229   -0.0021696   -0.0021027
 H   -0.0590944   13.1443069    0.5649501  0.00   -0.0000210   -0.0002870    0.0022751
 C   -5.1337271   13.3567829    2.4589713  0.00   -0.0050875   -0.0017782   -0.0012887
 C   -6.0234811   13.3400441    3.7071579  0.00   -0.0027954   -0.0017604    0.0001745
 H   -5.5818852   12.7284791    4.4975742  0.00    0.0004029    0.0001389   -0.0003554
 H   -7.0030757   12.9224638    3.4623087  0.00   -0.0021806   -0.0008357    0.0005658
 H   -6.1858845   14.3435823    4.1057863  0.00    0.0012180   -0.0007966   -0.0013273
 C   -5.7802009   14.2449643    1.3891969  0.00   -0.0025815   -0.0009120   -0.0018560
 H   -5.9183246   15.2704637    1.7388554  0.00    0.0011150   -0.0015437    0.0006350
 H   -6.7645150   13.8527363    1.1221049  0.00   -0.0019032   -0.0000292   -0.0014057
 H   -5.1709747   14.2747660    0.4824687  0.00    0.0003844   -0.0000070    0.0004476
 C   -5.0514808   11.9343026    1.9132461  0.00   -0.0031006   -0.0047705   -0.0022011
 H   -4.4612965   11.8816611    0.9950445  0.00    0.0002681    0.0000150    0.0000287
 H   -6.0562537   11.5800126    1.6754880  0.00   -0.0035346   -0.0034111   -0.0017249
 H   -4.6243521   11.2411237    2.6421827  0.00    0.0003200    0.0000287    0.0000132
 C    4.9918154   13.6653925    2.4724420  0.00    0.0051953   -0.0014451   -0.0013049
 C    5.6051036   14.6071986    1.4296288  0.00    0.0027356   -0.0008669   -0.0018212
 H    6.6103826   14.2695226    1.1663007  0.00    0.0019712    0.0001125   -0.0014496
 H    5.6901959   15.6301554    1.8028313  0.00   -0.0010562   -0.0016787    0.0005991
 H    5.0052320   14.6269980    0.5164178  0.00   -0.0004172   -0.0000034    0.0004578
 C    5.8628310   13.6725189    3.7341249  0.00    0.0029320   -0.0016373    0.0001538
 H    5.4459624   13.0186746    4.5038293  0.00   -0.0004236    0.0001921   -0.0002931
 H    5.9590968   14.6746853    4.1571217  0.00   -0.0012218   -0.0008748   -0.0014696
 H    6.8688106   13.3182892    3.4963506  0.00    0.0023846   -0.0007463    0.0006156
 C    4.9946440   12.2516128    1.8987369  0.00    0.0035624   -0.0047921   -0.0023595
 H    4.6017780   11.5210157    2.6101100  0.00   -0.0002837   -0.0000541    0.0000521
 H    6.0197922   11.9592323    1.6638765  0.00    0.0039297   -0.0033652   -0.0018676
 H    4.4155407   12.1841078    0.9744454  0.00   -0.0002208    0.0000147    0.0000517
 C   -3.2239878   17.9986759    4.2634486  0.00    0.0054092   -0.0012688   -0.0008553
 C   -4.0217933   18.1553214    5.4204830  0.00    0.0009587   -0.0100452   -0.0010660
 C   -4.9982670   19.1470116    5.4257396  0.00    0.0086373    0.0052335   -0.0037224
 H   -5.6189298   19.2747149    6.3048088  0.00    0.0012033   -0.0011624    0.0038720
 C   -5.2070161   19.9588937    4.3275578  0.00    0.0163356   -0.0034333    0.0081729
 H   -5.9736828   20.7240446    4.3547998  0.00   -0.0080256   -0.0010332   -0.0031556
 C   -4.4390751   19.7871375    3.1902445  0.00    0.0081166    0.0028582    0.0015909
 H   -4.6256046   20.4158933    2.3279893  0.00    0.0041597   -0.0007578   -0.0011456
 C   -3.4451899   18.8169131    3.1270767  0.00    0.0021927   -0.0118797    0.0003095
 C   -2.6960160   18.6229802    1.8241641  0.00    0.0015434    0.0003413    0.0031478
 H   -1.8109462   18.0098511    2.0318667  0.00    0.0064783    0.0015410   -0.0023456
 C   -3.5456249   17.8501344    0.8116148  0.00    0.0016182    0.0021511    0.0022359
 H   -3.8402864   16.8717267    1.1913128  0.00    0.0020418    0.0028508    0.0043080
 H   -2.9866878   17.6991400   -0.1151687  0.00    0.0011550    0.0024681    0.0021781
 H   -4.4531206   18.4085377    0.5671078  0.00    0.0021745    0.0039140    0.0045006
 C   -2.2308116   19.9393938    1.2093958  0.00    0.0012900    0.0035948   -0.0009399
 H   -3.0737357   20.5417910    0.8647592  0.00    0.0016565   -0.0000353    0.0009436
 H   -1.6023063   19.7440609    0.3386498  0.00    0.0048013    0.0056916    0.0004647
 H   -1.6599590   20.5484416    1.9145114  0.00    0.0034183    0.0038389    0.0009549
 C   -3.9065942   17.2451203    6.6240263  0.00    0.0021607    0.0009613   -0.0023608
 H   -3.0242360   16.6176083    6.4818247  0.00    0.0024864    0.0001717    0.0038223
 C   -5.1150469   16.3124120    6.7270444  0.00    0.0007939    0.0029088   -0.0003050
 H   -6.0410310   16.8792206    6.8528437  0.00    0.0026471    0.0035554   -0.0011649
 H   -5.0108012   15.6520219    7.5914927  0.00    0.0014232    0.0024523   -0.0003787
 H   -5.2179194   15.6854329    5.8408448  0.00    0.0029853    0.0038789   -0.0011096
 C   -3.7411734   18.0244949    7.9266278  0.00    0.0012742    0.0031992    0.0012010
 H   -2.9102795   18.7338270    7.8840701  0.00    0.0009634    0.0011223    0.0023357
 H   -3.5601664   17.3377944    8.7567696  0.00    0.0047415    0.0037625    0.0034831
 H   -4.6402952   18.5945953    8.1706269  0.00    0.0001122   -0.0004159    0.0009185
 C    2.7880139   18.1802768    4.2835436  0.00   -0.0046064   -0.0013052   -0.0000135
 C    2.9766027   18.9772017    3.1279721  0.00   -0.0011947   -0.0126166    0.0005723
 C    3.8761128   20.0353069    3.1876006  0.00   -0.0078477    0.0025541    0.0022007
 H    4.0344861   20.6495114    2.3085577  0.00   -0.0040343   -0.0002605   -0.0006084
 C    4.5864438   20.3102843    4.3419513  0.00   -0.0166612   -0.0044440    0.0073831
 H    5.2791577   21.1429909    4.3684432  0.00    0.0075882    0.0002736   -0.0017295
 C    4.4219547   19.5096336    5.4565943  0.00   -0.0081187    0.0048329   -0.0035707
 H    5.0067537   19.7141008    6.3456600  0.00   -0.0016496   -0.0018105    0.0036866
 C    3.5414129   18.4315858    5.4538784  0.00   -0.0007130   -0.0105083   -0.0012774
 C    3.4970566   17.5222098    6.6630879  0.00   -0.0021252    0.0006665   -0.0024182
 H    2.6622686   16.8313373    6.5272772  0.00   -0.0021559    0.0000266    0.0035748
 C    4.7718493   16.6798335    6.7527982  0.00   -0.0009859    0.0025653   -0.0004126
 H    4.9131510   16.0657612    5.8627086  0.00   -0.0030990    0.0034057   -0.0011256
 H    4.7236692   16.0102973    7.6151082  0.00   -0.0016606    0.0024400   -0.0003354
 H    5.6543567   17.3134052    6.8729241  0.00   -0.0029153    0.0035569   -0.0011747
 C    3.2866447   18.2832111    7.9693176  0.00   -0.0015537    0.0040126    0.0002028
 H    4.1375741   18.9266509    8.2033648  0.00    0.0006115   -0.0003080    0.0002377
 H    3.1780038   17.5810451    8.7991905  0.00   -0.0075210    0.0051892    0.0024655
 H    2.3972364   18.9185460    7.9430636  0.00   -0.0006867    0.0024664    0.0002943
 C    2.2889045   18.6787451    1.8120241  0.00   -0.0016590    0.0011496    0.0034146
 H    1.5715747   17.8695624    1.9809259  0.00   -0.0064588    0.0012685   -0.0011723
 C    1.5268144   19.8866915    1.2764751  0.00   -0.0008539    0.0037035   -0.0023418
 H    0.7979106   20.2663034    1.9980307  0.00   -0.0038190    0.0047983    0.0007131
 H    0.9920399   19.6228121    0.3619005  0.00   -0.0050412    0.0043376   -0.0012580
 H    2.2007952   20.7110477    1.0340663  0.00   -0.0021216    0.0002210   -0.0000474
 C    3.2891643   18.1781859    0.7681433  0.00   -0.0015266    0.0018352    0.0020749
 H    4.0359407   18.9432159    0.5413577  0.00   -0.0021300    0.0028367    0.0039289
 H    2.7730415   17.9311348   -0.1627007  0.00   -0.0017899    0.0019775    0.0023907
 H    3.8125414   17.2843674    1.1099322  0.00   -0.0031476    0.0024800    0.0048564
 C   -0.1870695   16.9251795    7.1325632  0.00   -0.0001352    0.0102425   -0.0093038
 H    0.6682738   17.4548850    7.5892907  0.00   -0.0015290    0.0013527   -0.0041522
 H   -1.0910545   17.3787355    7.5768166  0.00    0.0019995    0.0029042   -0.0037311
 C    1.4445961   14.2897717    7.2327276  0.00    0.0012109    0.0023359   -0.0008106
 H    1.5490336   14.2556787    6.1453368  0.00   -0.0018244    0.0021298   -0.0004531
 H    1.4366128   13.2574971    7.5947586  0.00   -0.0012903   -0.0024821    0.0018979
 H    2.3409343   14.7639720    7.6401075  0.00    0.0005023    0.0014929    0.0003982
 C   -0.1221370   15.2021829    9.6759140  0.00   -0.0001735    0.0021565    0.0006589
 H    0.7402282   15.7496782   10.0654242  0.00    0.0003189    0.0013801    0.0008070
 H   -0.0845844   14.1897941   10.0875153  0.00    0.0000782   -0.0033500    0.0039876
 H   -1.0236571   15.6836826   10.0638978  0.00   -0.0005953    0.0013809    0.0009740
 C   -1.6135601   14.1793161    7.2281871  0.00   -0.0015588    0.0018216   -0.0008035
 H   -2.5421509   14.5875787    7.6348258  0.00   -0.0008733    0.0011855    0.0003456
 H   -1.5325209   13.1493595    7.5876593  0.00    0.0010733   -0.0027349    0.0018274
 H   -1.7133825   14.1409687    6.1404691  0.00    0.0016491    0.0019491   -0.0003696
129
 Energy =   -2867.2882595040
 O   -0.1368008   15.6138688    3.8538101  0.00   -0.0001288    0.0033051    0.0004054
Th   -0.2050880   17.7978025    4.9104449  0.00    0.0000097    0.0004184   -0.0047534
Si   -0.1188060   15.1577034    7.8013761  0.00   -0.0007427    0.0154143   -0.0087043
 N   -2.1904997   17.0118920    4.2211488  0.00   -0.0032254    0.0026400   -0.0037165
 N    1.8280084   17.1227958    4.2478384  0.00    0.0036162    0.0032656   -0.0049235
 C   -2.5926115   13.1942799    2.6295962  0.00    0.0010215   -0.0026642   -0.0015623
 H   -2.6500256   12.1962116    2.2213471  0.00   -0.0072668   -0.0116589   -0.0050396
 C   -3.7617078   13.9188389    2.8189203  0.00    0.0087307    0.0030010    0.0011282
 C   -3.6718442   15.2113784    3.3484692  0.00    0.0118635    0.0074027    0.0039736
 H   -4.5604122   15.8143974    3.4946179  0.00    0.0051339   -0.0119993   -0.0041524
 C   -2.4422346   15.7513746    3.6852740  0.00    0.0091806    0.0028229    0.0036956
 C    2.1572620   15.8863257    3.7000975  0.00   -0.0108377    0.0027028    0.0047512
 C    3.4175430   15.4271202    3.3585455  0.00   -0.0105996    0.0063189    0.0034898
 H    4.2672135   16.0824230    3.5109291  0.00   -0.0045158   -0.0129576   -0.0044734
 C    3.5867740   14.1442498    2.8246325  0.00   -0.0095550    0.0028725    0.0011712
 C    2.4644673   13.3498074    2.6323974  0.00    0.0000779   -0.0036992   -0.0020968
 H    2.5836348   12.3583314    2.2214987  0.00    0.0079255   -0.0116098   -0.0051784
 C   -0.0529310   12.8976049    2.7309111  0.00    0.0002266    0.0013979   -0.0007910
 C   -1.3271888   13.7018895    2.9461333  0.00    0.0037828    0.0039362   -0.0008614
 C   -1.3099967   14.9654848    3.4756290  0.00    0.0014952    0.0026005    0.0018945
 C    1.0743983   15.0359486    3.4815002  0.00   -0.0007632    0.0018116    0.0013739
 C    1.1695686   13.7777013    2.9481826  0.00   -0.0045890    0.0049435   -0.0005354
 C   -0.0178432   11.7357464    3.7362201  0.00    0.0000336   -0.0037327   -0.0008649
 H   -0.0297208   12.1027592    4.7643552  0.00   -0.0000177   -0.0001921   -0.0020128
 H    0.8856081   11.1390634    3.5966581  0.00    0.0023560   -0.0048010    0.0015417
 H   -0.8827470   11.0846489    3.5956969  0.00   -0.0021720   -0.0050849    0.0015619
 C   -0.0349898   12.3399796    1.3024554  0.00   -0.0000133   -0.0044717   -0.0019419
 H   -0.8928410   11.6901001    1.1293340  0.00   -0.0031386   -0.0044445   -0.0038442
 H    0.8611399   11.7436666    1.1305529  0.00    0.0032964   -0.0041752   -0.0037412
 H   -0.0590978   13.1442930    0.5650560  0.00   -0.0000287   -0.0001540    0.0014877
 C   -5.1343336   13.3563011    2.4587136  0.00    0.0008988    0.0038173    0.0014559
 C   -6.0235616   13.3399613    3.7071760  0.00   -0.0032261   -0.0020225   -0.0006260
 H   -5.5818643   12.7285075    4.4976184  0.00    0.0003244   -0.0002141   -0.0006557
 H   -7.0030201   12.9224783    3.4622797  0.00   -0.0048887   -0.0018011    0.0012893
 H   -6.1858319   14.3435484    4.1057886  0.00    0.0012506   -0.0011316   -0.0019655
 C   -5.7802522   14.2449364    1.3891046  0.00   -0.0031746   -0.0016466   -0.0015011
 H   -5.9182638   15.2704434    1.7388452  0.00    0.0010702   -0.0022354    0.0008625
 H   -6.7644426   13.8527362    1.1221351  0.00   -0.0044280   -0.0000543   -0.0030628
 H   -5.1709396   14.2748431    0.4824447  0.00    0.0003130   -0.0004610    0.0004114
 C   -5.0516215   11.9339647    1.9130936  0.00   -0.0031485   -0.0028064   -0.0014049
 H   -4.4612367   11.8816344    0.9950491  0.00   -0.0001411   -0.0005071   -0.0006103
 H   -6.0563066   11.5799150    1.6754395  0.00   -0.0056184   -0.0057569   -0.0028467
 H   -4.6242890   11.2411121    2.6421656  0.00   -0.0001445   -0.0007543    0.0000349
 C    4.9924699   13.6649250    2.4721746  0.00   -0.0011706    0.0037367    0.0014466
 C    5.6051621   14.6071691    1.4295391  0.00    0.0033410   -0.0015210   -0.0015276
 H    6.6103096   14.2695155    1.1663292  0.00    0.0045929    0.0002364   -0.0031117
 H    5.6901425   15.6301284    1.8028261  0.00   -0.0009846   -0.0024462    0.0008031
 H    5.0051953   14.6270797    0.5163957  0.00   -0.0002935   -0.0004731    0.0004646
 C    5.8629220   13.6724394    3.7341447  0.00    0.0033975   -0.0018977   -0.0006820
 H    5.4459356   13.0187085    4.5038791  0.00   -0.0002981   -0.0001386   -0.0006040
 H    5.9590451   14.6746561    4.1571093  0.00   -0.0012270   -0.0012464   -0.0021315
 H    6.8687647   13.3182985    3.4963331  0.00    0.0051043   -0.0015574    0.0013752
 C    4.9948216   12.2512676    1.8985742  0.00    0.0034691   -0.0027145   -0.0014595
 H    4.6017172   11.5210065    2.6101011  0.00    0.0002736   -0.0008758    0.0000386
 H    6.0198670   11.9591389    1.6638269  0.00    0.0062190   -0.0056808   -0.0030634
 H    4.4154834   12.1840799    0.9744543  0.00    0.0002495   -0.0005215   -0.0006259
 C   -3.2226519   17.9985764    4.2636732  0.00    0.0088063   -0.0028932    0.0059699
 C   -4.0201728   18.1556826    5.4210036  0.00   -0.0032359   -0.0071309   -0.0070710
 C   -4.9966816   19.1477116    5.4259987  0.00    0.0096882   -0.0109006    0.0092658
 H   -5.6184555   19.2742891    6.3047258  0.00    0.0047187    0.0000363    0.0010776
 C   -5.2057583   19.9584550    4.3278706  0.00    0.0086407    0.0150274   -0.0007433
 H   -5.9736736   20.7229455    4.3543780  0.00   -0.0024659   -0.0052099   -0.0024597
 C   -4.4374142   19.7877265    3.1907661  0.00    0.0113805   -0.0080049    0.0016515
 H   -4.6251683   20.4154099    2.3280929  0.00    0.0057607    0.0011013   -0.0013743
 C   -3.4433057   18.8172845    3.1277017  0.00   -0.0055109   -0.0074698   -0.0041111
 C   -2.6949559   18.6233766    1.8243717  0.00    0.0029037   -0.0016413    0.0024585
 H   -1.8096905   18.0099488    2.0312009  0.00    0.0046047    0.0031900   -0.0020368
 C   -3.5453060   17.8506766    0.8122361  0.00    0.0020843    0.0015616    0.0014414
 H   -3.8400288   16.8722082    1.1917137  0.00    0.0022628    0.0029081    0.0053205
 H   -2.9866997   17.6995254   -0.1146358  0.00    0.0020570    0.0024516    0.0010191
 H   -4.4528229   18.4089859    0.5676106  0.00    0.0023199    0.0047326    0.0054758
 C   -2.2302202   19.9399525    1.2094656  0.00    0.0024398    0.0026279    0.0023938
 H   -3.0734032   20.5419247    0.8650768  0.00    0.0005618    0.0010327   -0.0000192
 H   -1.6016146   19.7449475    0.3387630  0.00    0.0050300    0.0056373    0.0002212
 H   -1.6598643   20.5491307    1.9149677  0.00    0.0035652    0.0033307   -0.0006398
 C   -3.9058414   17.2453731    6.6243186  0.00    0.0021103   -0.0007460   -0.0008390
 H   -3.0237657   16.6172090    6.4825581  0.00    0.0016607    0.0017731    0.0036240
 C   -5.1147276   16.3130574    6.7268645  0.00    0.0015312    0.0012625    0.0003455
 H   -6.0408238   16.8796008    6.8527032  0.00    0.0028115    0.0049158   -0.0013206
 H   -5.0106347   15.6525407    7.5911803  0.00    0.0014586    0.0021206    0.0005797
 H   -5.2176739   15.6858712    5.8408187  0.00    0.0035412    0.0045276   -0.0017747
 C   -3.7407512   18.0248475    7.9269640  0.00    0.0011125    0.0017790   -0.0000832
 H   -2.9103234   18.7345830    7.8839932  0.00    0.0022112    0.0012848    0.0032497
 H   -3.5595134   17.3382765    8.7571952  0.00    0.0047360    0.0042785    0.0032122
 H   -4.6400629   18.5946731    8.1706804  0.00   -0.0004632   -0.0001965    0.0014577
 C    2.7867681   18.1800117    4.2837353  0.00   -0.0091124   -0.0029935    0.0053842
 C    2.9746980   18.9774482    3.1285489  0.00    0.0074439   -0.0068280   -0.0028528
 C    3.8743855   20.0358638    3.1882115  0.00   -0.0114053   -0.0093928    0.0006217
 H    4.0340946   20.6490533    2.3087742  0.00   -0.0058113    0.0014606   -0.0005736
 C    4.5851550   20.3098462    4.3423694  0.00   -0.0092135    0.0145868   -0.0002842
 H    5.2791677   21.1420378    4.3682496  0.00    0.0021888   -0.0046354   -0.0011761
 C    4.4203285   19.5102117    5.4568943  0.00   -0.0091563   -0.0118655    0.0083070
 H    5.0063686   19.7135331    6.3456444  0.00   -0.0050419   -0.0007855    0.0011755
 C    3.5397926   18.4317436    5.4542819  0.00    0.0048204   -0.0061425   -0.0054307
 C    3.4963049   17.5223784    6.6632909  0.00   -0.0019709   -0.0008215   -0.0008250
 H    2.6618391   16.8308835    6.5280097  0.00   -0.0014294    0.0016367    0.0032597
 C    4.7714820   16.6804416    6.7526164  0.00   -0.0014791    0.0010233    0.0002270
 H    4.9128804   16.0661755    5.8626831  0.00   -0.0036182    0.0038806   -0.0017899
 H    4.7234532   16.0108147    7.6148107  0.00   -0.0016685    0.0021018    0.0005915
 H    5.6541037   17.3137949    6.8727736  0.00   -0.0032300    0.0047714   -0.0013329
 C    3.2861629   18.2836955    7.9694234  0.00   -0.0013796    0.0027445   -0.0008672
 H    4.1373680   18.9267236    8.2033601  0.00    0.0012670   -0.0000401    0.0005373
 H    3.1769316   17.5817943    8.7994590  0.00   -0.0075653    0.0055186    0.0023143
 H    2.3973685   18.9197209    7.9423997  0.00   -0.0021153    0.0023764    0.0015256
 C    2.2878891   18.6791700    1.8121982  0.00   -0.0028517   -0.0020355    0.0025313
 H    1.5704796   17.8697194    1.9804225  0.00   -0.0054344    0.0030599   -0.0010344
 C    1.5262189   19.8872564    1.2763309  0.00   -0.0030012    0.0023221    0.0017201
 H    0.7976268   20.2671129    1.9982559  0.00   -0.0029495    0.0042735   -0.0015220
 H    0.9912494   19.6235792    0.3618322  0.00   -0.0048601    0.0042215   -0.0013676
 H    2.2006184   20.7111416    1.0341528  0.00   -0.0012455    0.0022906   -0.0010570
 C    3.2887844   18.1786527    0.7687864  0.00   -0.0021535    0.0014572    0.0015091
 H    4.0356722   18.9434975    0.5417903  0.00   -0.0023693    0.0036134    0.0048674
 H    2.7729263   17.9315029   -0.1620882  0.00   -0.0025672    0.0017720    0.0011431
 H    3.8121085   17.2847717    1.1104442  0.00   -0.0032212    0.0023811    0.0058769
 C   -0.1871336   16.9255540    7.1322277  0.00    0.0001481    0.0046304   -0.0032256
 H    0.6685362   17.4557290    7.5879855  0.00   -0.0030370    0.0003701   -0.0033677
 H   -1.0912588   17.3799955    7.5755465  0.00    0.0037750    0.0014590   -0.0029857
 C    1.4445213   14.2902401    7.2326109  0.00    0.0000711   -0.0007543    0.0012090
 H    1.5490795   14.2557885    6.1453295  0.00   -0.0024370    0.0027687   -0.0019365
 H    1.4361400   13.2579828    7.5947407  0.00   -0.0003065   -0.0025423    0.0017821
 H    2.3408979   14.7641460    7.6399594  0.00    0.0016817    0.0022512    0.0012539
 C   -0.1221708   15.2025712    9.6762029  0.00   -0.0001046   -0.0011172   -0.0006579
 H    0.7401943   15.7500688   10.0655274  0.00    0.0010286    0.0013487    0.0013777
 H   -0.0845998   14.1898691   10.0872307  0.00    0.0000059   -0.0015041    0.0051585
 H   -1.0236803   15.6840753   10.0640253  0.00   -0.0012973    0.0012861    0.0015567
 C   -1.6135544   14.1796995    7.2280740  0.00   -0.0003390   -0.0009954    0.0012439
 H   -2.5421434   14.5877305    7.6346661  0.00   -0.0021678    0.0017424    0.0011646
 H   -1.5321517   13.1497898    7.5876463  0.00    0.0001145   -0.0028846    0.0017043
 H   -1.7134270   14.1410403    6.1404597  0.00    0.0021467    0.0025403   -0.0018728
129
 Energy =   -2867.2882898990
 O   -0.1367380   15.6128463    3.8535459  0.00    0.0007482   -0.0041356   -0.0036145
Th   -0.2049518   17.7969389    4.9107857  0.00   -0.0004667    0.0069018   -0.0113918
Si   -0.1189093   15.1581652    7.8015460  0.00   -0.0008545    0.0202507   -0.0099549
 N   -2.1892967   17.0108147    4.2212244  0.00   -0.0089876   -0.0037909   -0.0060857
 N    1.8270490   17.1215247    4.2479529  0.00    0.0086307   -0.0024129   -0.0073303
 C   -2.5935078   13.1925833    2.6289152  0.00    0.0106226    0.0064335    0.0013545
 H   -2.6510583   12.1941414    2.2203156  0.00   -0.0068892   -0.0032562   -0.0012477
 C   -3.7623053   13.9182658    2.8185849  0.00    0.0142186    0.0027801    0.0018607
 C   -3.6719914   15.2112264    3.3482539  0.00    0.0104850   -0.0049766   -0.0003922
 H   -4.5611658   15.8136752    3.4942657  0.00    0.0098731   -0.0115056   -0.0036230
 C   -2.4419491   15.7503884    3.6849378  0.00    0.0031602    0.0106409    0.0054684
 C    2.1570654   15.8852383    3.6997678  0.00   -0.0017340    0.0101252    0.0052215
 C    3.4177829   15.4268901    3.3582563  0.00   -0.0117221   -0.0051207    0.0001520
 H    4.2680189   16.0816604    3.5105296  0.00   -0.0084805   -0.0123719   -0.0039092
 C    3.5874028   14.1436481    2.8242595  0.00   -0.0137976    0.0013915    0.0014160
 C    2.4655037   13.3480521    2.6316838  0.00   -0.0117043    0.0060902    0.0014818
 H    2.5848009   12.3562269    2.2204242  0.00    0.0070719   -0.0034593   -0.0014033
 C   -0.0528959   12.8965178    2.7305138  0.00   -0.0002639    0.0028942   -0.0001909
 C   -1.3274799   13.7006493    2.9455037  0.00   -0.0032294    0.0017607   -0.0007927
 C   -1.3100303   14.9644184    3.4749853  0.00    0.0054567   -0.0012358    0.0014448
 C    1.0745835   15.0348246    3.4808066  0.00   -0.0066285   -0.0006474    0.0022570
 C    1.1699349   13.7764623    2.9475532  0.00    0.0043695    0.0009775   -0.0017638
 C   -0.0178350   11.7350052    3.7362951  0.00    0.0000504   -0.0022088   -0.0028816
 H   -0.0297237   12.1026511    4.7642372  0.00   -0.0000186   -0.0007003   -0.0022234
 H    0.8858295   11.1386020    3.5968511  0.00    0.0015985   -0.0059096    0.0019582
 H   -0.8829483   11.0841352    3.5959015  0.00   -0.0012981   -0.0060052    0.0019390
 C   -0.0349871   12.3393262    1.3020120  0.00    0.0001027   -0.0038544   -0.0001686
 H   -0.8931044   11.6897984    1.1290139  0.00   -0.0023154   -0.0055756   -0.0052097
 H    0.8614026   11.7433975    1.1302509  0.00    0.0025164   -0.0054007   -0.0051713
 H   -0.0591032   13.1442676    0.5652654  0.00   -0.0000194   -0.0011896    0.0007903
 C   -5.1350443   13.3558788    2.4584582  0.00    0.0058386    0.0041081    0.0021019
 C   -6.0238384   13.3397449    3.7071547  0.00   -0.0018070   -0.0010978   -0.0009218
 H   -5.5818196   12.7285320    4.4976383  0.00   -0.0002950   -0.0006750   -0.0013170
 H   -7.0032196   12.9223953    3.4623129  0.00   -0.0071212   -0.0026102    0.0020427
 H   -6.1856946   14.3434396    4.1056832  0.00    0.0005175   -0.0014209   -0.0022539
 C   -5.7804907   14.2448033    1.3889142  0.00   -0.0020335   -0.0012577   -0.0005456
 H   -5.9181251   15.2702924    1.7388772  0.00    0.0003181   -0.0026108    0.0007494
 H   -6.7645946   13.8527312    1.1220029  0.00   -0.0065426    0.0000171   -0.0045592
 H   -5.1708766   14.2749166    0.4824371  0.00   -0.0003295   -0.0011896    0.0004624
 C   -5.0519814   11.9333981    1.9128295  0.00   -0.0032720    0.0018738    0.0003433
 H   -4.4611663   11.8815684    0.9950233  0.00   -0.0014448   -0.0013032   -0.0010332
 H   -6.0566807   11.5794731    1.6752204  0.00   -0.0053878   -0.0071986   -0.0033673
 H   -4.6242139   11.2410546    2.6421413  0.00   -0.0014208   -0.0015385   -0.0004013
 C    4.9932284   13.6645114    2.4719061  0.00   -0.0062146    0.0038131    0.0020473
 C    5.6054188   14.6070412    1.4293502  0.00    0.0022045   -0.0012457   -0.0006154
 H    6.6104716   14.2695164    1.1661932  0.00    0.0067441    0.0004479   -0.0046039
 H    5.6900189   15.6299562    1.8028616  0.00   -0.0002187   -0.0027887    0.0007007
 H    5.0051325   14.6271577    0.5163952  0.00    0.0003861   -0.0011899    0.0004974
 C    5.8632229   13.6722323    3.7341222  0.00    0.0018768   -0.0010586   -0.0010247
 H    5.4458841   13.0187440    4.5039102  0.00    0.0003912   -0.0005553   -0.0012836
 H    5.9589107   14.6745469    4.1569774  0.00   -0.0004710   -0.0015346   -0.0024357
 H    6.8689890   13.3182216    3.4963861  0.00    0.0073051   -0.0022455    0.0021595
 C    4.9952457   12.2506970    1.8982959  0.00    0.0033651    0.0020027    0.0004214
 H    4.6016526   11.5209445    2.6100882  0.00    0.0016754   -0.0016423   -0.0004657
 H    6.0203030   11.9587052    1.6635947  0.00    0.0060109   -0.0071942   -0.0036226
 H    4.4154230   12.1840111    0.9744332  0.00    0.0016288   -0.0013113   -0.0010773
 C   -3.2205962   17.9980395    4.2642072  0.00   -0.0016778    0.0087577   -0.0031815
 C   -4.0184230   18.1558120    5.4212763  0.00    0.0091736   -0.0140105   -0.0004374
 C   -4.9940783   19.1480711    5.4268447  0.00   -0.0049256   -0.0000821   -0.0024003
 H   -5.6175691   19.2737133    6.3046692  0.00    0.0084115    0.0001588    0.0004005
 C   -5.2036170   19.9587719    4.3282142  0.00    0.0085815    0.0056691    0.0094389
 H   -5.9737592   20.7211634    4.3536878  0.00    0.0010212   -0.0034272   -0.0016304
 C   -4.4346727   19.7880900    3.1916323  0.00   -0.0013836   -0.0003879   -0.0080711
 H   -4.6242639   20.4148150    2.3281445  0.00    0.0097265   -0.0021360    0.0043720
 C   -3.4413092   18.8174166    3.1281864  0.00    0.0069790   -0.0154002    0.0050836
 C   -2.6933597   18.6237634    1.8247143  0.00    0.0008177    0.0001403   -0.0008126
 H   -1.8078135   18.0102630    2.0302293  0.00    0.0036822    0.0032672   -0.0005019
 C   -3.5447896   17.8514583    0.8131403  0.00    0.0035293    0.0010433   -0.0001298
 H   -3.8395643   16.8730000    1.1925295  0.00    0.0022785    0.0025922    0.0060000
 H   -2.9865985   17.7001704   -0.1138688  0.00    0.0025957    0.0020363   -0.0006019
 H   -4.4523008   18.4098299    0.5685699  0.00    0.0028463    0.0053056    0.0065702
 C   -2.2292973   19.9408079    1.2097597  0.00    0.0022452   -0.0001488    0.0011992
 H   -3.0729692   20.5421705    0.8654641  0.00    0.0011090    0.0010489    0.0000130
 H   -1.6004375   19.7464111    0.3389291  0.00    0.0035000    0.0055942    0.0023346
 H   -1.6595432   20.5501814    1.9154751  0.00    0.0043332    0.0038168   -0.0005267
 C   -3.9047031   17.2455937    6.6247047  0.00   -0.0022102    0.0003096   -0.0000244
 H   -3.0230605   16.6167963    6.4837100  0.00    0.0027607    0.0017186    0.0027387
 C   -5.1142222   16.3139676    6.7266558  0.00    0.0025987   -0.0003441    0.0008242
 H   -6.0404030   16.8803719    6.8524460  0.00    0.0036138    0.0060203   -0.0014558
 H   -5.0103310   15.6533455    7.5907923  0.00    0.0010199    0.0009154    0.0022530
 H   -5.2171518   15.6866979    5.8406875  0.00    0.0037950    0.0047296   -0.0024307
 C   -3.7401767   18.0253795    7.9273824  0.00    0.0023356    0.0000362   -0.0005244
 H   -2.9102377   18.7356067    7.8840955  0.00    0.0026708    0.0014655    0.0036584
 H   -3.5583936   17.3391673    8.7579046  0.00    0.0040586    0.0048778    0.0018865
 H   -4.6398004   18.5947614    8.1708397  0.00   -0.0006822   -0.0001574    0.0016924
 C    2.7848184   18.1792637    4.2841855  0.00    0.0023803    0.0097502   -0.0015667
 C    2.9727816   18.9774692    3.1290523  0.00   -0.0058066   -0.0158097    0.0042203
 C    3.8715505   20.0361092    3.1891171  0.00    0.0029610    0.0001145   -0.0064826
 H    4.0332479   20.6485120    2.3090221  0.00   -0.0097666   -0.0015938    0.0046093
 C    4.5829468   20.3101309    4.3428724  0.00   -0.0100872    0.0046836    0.0078099
 H    5.2792718   21.1404746    4.3679285  0.00   -0.0010377   -0.0027854   -0.0005697
 C    4.4176954   19.5103579    5.4577478  0.00    0.0050869   -0.0001341   -0.0023743
 H    5.0055803   19.7127259    6.3456770  0.00   -0.0087786   -0.0008016    0.0003132
 C    3.5381271   18.4316802    5.4545058  0.00   -0.0081767   -0.0143899   -0.0010604
 C    3.4951896   17.5224903    6.6635553  0.00    0.0023022    0.0005318    0.0005360
 H    2.6611958   16.8303885    6.5291400  0.00   -0.0024218    0.0016761    0.0022185
 C    4.7709190   16.6812906    6.7524014  0.00   -0.0023736   -0.0004815    0.0007449
 H    4.9123205   16.0669332    5.8625522  0.00   -0.0037968    0.0039960   -0.0023445
 H    4.7230732   16.0116129    7.6144456  0.00   -0.0011119    0.0009424    0.0021999
 H    5.6535978   17.3145695    6.8725034  0.00   -0.0040684    0.0056483   -0.0014678
 C    3.2855011   18.2844541    7.9694948  0.00   -0.0025128    0.0009442   -0.0008303
 H    4.1371873   18.9268154    8.2033920  0.00    0.0014082   -0.0000730    0.0005681
 H    3.1751036   17.5831018    8.7999160  0.00   -0.0068586    0.0058169    0.0013618
 H    2.3974048   18.9213339    7.9416599  0.00   -0.0027833    0.0025600    0.0021618
 C    2.2863693   18.6795525    1.8124915  0.00   -0.0007876   -0.0002721   -0.0001789
 H    1.5687621   17.8701055    1.9797195  0.00   -0.0053689    0.0025185    0.0000201
 C    1.5252245   19.8880884    1.2763242  0.00   -0.0016925    0.0001783    0.0005117
 H    0.7971281   20.2683799    1.9984110  0.00   -0.0038961    0.0045486   -0.0015475
 H    0.9899627   19.6248029    0.3616642  0.00   -0.0030835    0.0044068    0.0014851
 H    2.2003434   20.7114253    1.0341881  0.00   -0.0020296    0.0022250   -0.0011118
 C    3.2881815   18.1793353    0.7697277  0.00   -0.0039283    0.0006984    0.0000635
 H    4.0351888   18.9440634    0.5426242  0.00   -0.0031419    0.0040071    0.0060802
 H    2.7726324   17.9320854   -0.1612101  0.00   -0.0028066    0.0013368   -0.0004657
 H    3.8113645   17.2854310    1.1114353  0.00   -0.0029866    0.0020027    0.0065243
 C   -0.1872135   16.9263835    7.1314390  0.00    0.0003386   -0.0037969    0.0048443
 H    0.6687552   17.4568589    7.5861659  0.00   -0.0030330    0.0004980   -0.0020228
 H   -1.0913578   17.3817097    7.5737904  0.00    0.0041596    0.0008305   -0.0017611
 C    1.4444159   14.2907396    7.2325591  0.00   -0.0001636    0.0004203    0.0006000
 H    1.5490037   14.2560907    6.1452177  0.00   -0.0029092    0.0029323   -0.0008091
 H    1.4355022   13.2585536    7.5947955  0.00    0.0005176   -0.0032713    0.0019965
 H    2.3409436   14.7644932    7.6398324  0.00    0.0010755    0.0015910    0.0013079
 C   -0.1222187   15.2029350    9.6765656  0.00   -0.0001332    0.0000507   -0.0024462
 H    0.7401995   15.7506467   10.0657378  0.00   -0.0001069   -0.0002024    0.0010968
 H   -0.0846217   14.1899421   10.0871278  0.00   -0.0000808    0.0004501    0.0055244
 H   -1.0237741   15.6846531   10.0642769  0.00   -0.0000914   -0.0001767    0.0013108
 C   -1.6135512   14.1800791    7.2280297  0.00   -0.0001441    0.0002505    0.0006187
 H   -2.5422539   14.5880201    7.6345189  0.00   -0.0017218    0.0010407    0.0012131
 H   -1.5316649   13.1502699    7.5877031  0.00   -0.0006394   -0.0035651    0.0019062
 H   -1.7133661   14.1412797    6.1403467  0.00    0.0024893    0.0026678   -0.0007650
129
 Energy =   -2867.2883271790
 O   -0.1366249   15.6115429    3.8531123  0.00    0.0000259   -0.0113186   -0.0064196
Th   -0.2048105   17.7962090    4.9105797  0.00   -0.0006017    0.0101131   -0.0155013
Si   -0.1190704   15.1596129    7.8013007  0.00   -0.0006443    0.0126518   -0.0042531
 N   -2.1881580   17.0094964    4.2210988  0.00   -0.0097792   -0.0018386   -0.0045575
 N    1.8261654   17.1200372    4.2478180  0.00    0.0100177   -0.0003221   -0.0053162
 C   -2.5939997   13.1908530    2.6281542  0.00    0.0050310    0.0015281   -0.0011587
 H   -2.6526410   12.1915743    2.2190506  0.00   -0.0036888    0.0141243    0.0063204
 C   -3.7623764   13.9176293    2.8182356  0.00    0.0176986   -0.0005093    0.0010371
 C   -3.6715323   15.2107915    3.3479909  0.00    0.0035814   -0.0098897   -0.0032302
 H   -4.5616079   15.8122608    3.4936689  0.00    0.0138626   -0.0097055   -0.0026059
 C   -2.4414479   15.7495828    3.6847384  0.00    0.0029706    0.0048096    0.0023796
 C    2.1567658   15.8842823    3.6995554  0.00   -0.0044739    0.0057675    0.0027146
 C    3.4173612   15.4263576    3.3579392  0.00   -0.0018131   -0.0118562   -0.0038409
 H    4.2685936   16.0801559    3.5098623  0.00   -0.0124469   -0.0106829   -0.0028570
 C    3.5875468   14.1429051    2.8238402  0.00   -0.0181000   -0.0013518    0.0010945
 C    2.4661041   13.3462280    2.6308894  0.00   -0.0042731    0.0013709   -0.0014856
 H    2.5865476   12.3536132    2.2191026  0.00    0.0026865    0.0141862    0.0064563
 C   -0.0528658   12.8952318    2.7299709  0.00   -0.0001212    0.0062922    0.0029761
 C   -1.3279933   13.6993618    2.9447618  0.00    0.0033720   -0.0048815   -0.0028174
 C   -1.3099531   14.9630178    3.4742512  0.00    0.0032503    0.0035027    0.0033934
 C    1.0746242   15.0334046    3.4800623  0.00   -0.0027266    0.0022035    0.0029653
 C    1.1705953   13.7751272    2.9467576  0.00   -0.0036241   -0.0042731   -0.0024872
 C   -0.0178230   11.7340336    3.7362220  0.00   -0.0000037   -0.0019764   -0.0026912
 H   -0.0297280   12.1024800    4.7639909  0.00    0.0000021   -0.0017632   -0.0039578
 H    0.8861662   11.1377541    3.5971799  0.00   -0.0012818   -0.0052420    0.0022179
 H   -0.8832462   11.0832213    3.5962426  0.00    0.0016174   -0.0050240    0.0021906
 C   -0.0349773   12.3383661    1.3015119  0.00    0.0000017   -0.0043559   -0.0015909
 H   -0.8935259   11.6891578    1.1283675  0.00    0.0012569   -0.0045073   -0.0057066
 H    0.8618327   11.7428039    1.1296278  0.00   -0.0010421   -0.0046529   -0.0057189
 H   -0.0591103   13.1441718    0.5655458  0.00    0.0000432   -0.0038729    0.0008547
 C   -5.1355722   13.3555579    2.4582525  0.00    0.0062992    0.0020248    0.0013726
 C   -6.0242426   13.3394433    3.7070806  0.00   -0.0006346   -0.0015768   -0.0016931
 H   -5.5817852   12.7285244    4.4975923  0.00   -0.0012561   -0.0010040   -0.0019938
 H   -7.0038236   12.9221607    3.4624556  0.00   -0.0054686   -0.0018859    0.0029691
 H   -6.1855101   14.3432347    4.1054442  0.00   -0.0007223   -0.0004447   -0.0017026
 C   -5.7808621   14.2445869    1.3886703  0.00   -0.0010835   -0.0021681   -0.0001361
 H   -5.9179484   15.2699791    1.7389494  0.00   -0.0008945   -0.0014701    0.0008039
 H   -6.7651127   13.8527244    1.1216107  0.00   -0.0049850    0.0010128   -0.0045835
 H   -5.1708222   14.2749407    0.4824517  0.00   -0.0013548   -0.0018329    0.0005159
 C   -5.0525756   11.9328560    1.9125451  0.00   -0.0028033    0.0025047    0.0006689
 H   -4.4611613   11.8814185    0.9949393  0.00   -0.0040593   -0.0017672    0.0001620
 H   -6.0573886   11.5785831    1.6747899  0.00   -0.0011647   -0.0059008   -0.0024212
 H   -4.6242014   11.2409032    2.6420886  0.00   -0.0037920   -0.0008017   -0.0021039
 C    4.9937955   13.6641830    2.4716818  0.00   -0.0060762    0.0015212    0.0012283
 C    5.6058208   14.6068299    1.4291055  0.00    0.0012661   -0.0022173   -0.0002849
 H    6.6110125   14.2695379    1.1657950  0.00    0.0051290    0.0013675   -0.0046366
 H    5.6898661   15.6296084    1.8029363  0.00    0.0009646   -0.0015465    0.0008491
 H    5.0050820   14.6271867    0.5164205  0.00    0.0014494   -0.0018211    0.0004809
 C    5.8636583   13.6719425    3.7340420  0.00    0.0006908   -0.0015818   -0.0017872
 H    5.4458466   13.0187553    4.5038800  0.00    0.0014295   -0.0008455   -0.0020055
 H    5.9587326   14.6743349    4.1566986  0.00    0.0007288   -0.0004602   -0.0018699
 H    6.8696322   13.3180123    3.4965593  0.00    0.0054903   -0.0016374    0.0030799
 C    4.9959193   12.2501564    1.8980005  0.00    0.0028290    0.0025204    0.0006480
 H    4.6016662   11.5207821    2.6100462  0.00    0.0041532   -0.0007357   -0.0022410
 H    6.0211159   11.9578237    1.6631366  0.00    0.0015314   -0.0061607   -0.0026647
 H    4.4154400   12.1838569    0.9743530  0.00    0.0043681   -0.0017438    0.0001765
 C   -3.2183022   17.9978069    4.2646534  0.00    0.0037199   -0.0045696    0.0005310
 C   -4.0159081   18.1552970    5.4216407  0.00   -0.0019613    0.0047802    0.0013501
 C   -4.9912148   19.1485579    5.4275596  0.00    0.0000336   -0.0073212   -0.0005083
 H   -5.6161010   19.2730321    6.3046678  0.00    0.0104056    0.0001806   -0.0000650
 C   -5.2006059   19.9593699    4.3291361  0.00    0.0053782    0.0009229   -0.0009326
 H   -5.9737733   20.7188520    4.3527844  0.00    0.0047822   -0.0012492    0.0002937
 C   -4.4315624   19.7885178    3.1923501  0.00    0.0000623   -0.0075867    0.0001930
 H   -4.6226750   20.4139970    2.3284138  0.00    0.0113691   -0.0011297    0.0030529
 C   -3.4385551   18.8168369    3.1289744  0.00   -0.0014738    0.0070792   -0.0019859
 C   -2.6914125   18.6242292    1.8250619  0.00    0.0033707   -0.0011026   -0.0024392
 H   -1.8053859   18.0107984    2.0290510  0.00    0.0026989    0.0029800   -0.0000922
 C   -3.5439752   17.8524484    0.8141897  0.00    0.0022957   -0.0001460   -0.0005867
 H   -3.8388969   16.8740660    1.1938110  0.00    0.0026716    0.0033136    0.0054514
 H   -2.9863533   17.7010439   -0.1129719  0.00    0.0029205    0.0011354   -0.0031587
 H   -4.4515313   18.4111057    0.5700511  0.00    0.0043773    0.0051321    0.0076164
 C   -2.2280843   19.9417908    1.2101458  0.00    0.0000950    0.0008887    0.0021777
 H   -3.0723928   20.5425176    0.8659268  0.00    0.0027638   -0.0000137    0.0005619
 H   -1.5988741   19.7484411    0.3392726  0.00    0.0025044    0.0044981    0.0032461
 H   -1.6589294   20.5516355    1.9160610  0.00    0.0035200    0.0031042   -0.0009631
 C   -3.9034791   17.2458627    6.6251995  0.00    0.0015905   -0.0044008    0.0030593
 H   -3.0220605   16.6163761    6.4852182  0.00    0.0017177    0.0019926    0.0026676
 C   -5.1134690   16.3150160    6.7264405  0.00   -0.0001008   -0.0001719    0.0019097
 H   -6.0397230   16.8816053    6.8520662  0.00    0.0060828    0.0055750   -0.0017504
 H   -5.0099180   15.6543530    7.5904431  0.00    0.0002120   -0.0006537    0.0036319
 H   -5.2163371   15.6879269    5.8404128  0.00    0.0038899    0.0040343   -0.0032528
 C   -3.7393492   18.0260008    7.9278456  0.00   -0.0001798    0.0013081    0.0000328
 H   -2.9100052   18.7368933    7.8844077  0.00    0.0029275    0.0021003    0.0030169
 H   -3.5568573   17.3404848    8.7588293  0.00    0.0034354    0.0042518    0.0006092
 H   -4.6395317   18.5948632    8.1711186  0.00    0.0013322   -0.0014313    0.0013106
 C    2.7826956   18.1788417    4.2846090  0.00   -0.0036379   -0.0051306    0.0001234
 C    2.9701831   18.9767355    3.1298210  0.00    0.0016263    0.0078734   -0.0028406
 C    3.8684028   20.0364262    3.1899685  0.00    0.0010863   -0.0066997   -0.0003528
 H    4.0317282   20.6477870    2.3095333  0.00   -0.0116203   -0.0009695    0.0036038
 C    4.5797884   20.3106420    4.3438977  0.00   -0.0053271    0.0002641   -0.0002263
 H    5.2793084   21.1384508    4.3675190  0.00   -0.0052590   -0.0011693    0.0008978
 C    4.4148176   19.5105934    5.4584829  0.00    0.0003270   -0.0079510   -0.0011702
 H    5.0042066   19.7117217    6.3457729  0.00   -0.0104984   -0.0006397    0.0000632
 C    3.5357417   18.4309000    5.4547802  0.00    0.0024185    0.0058490    0.0013075
 C    3.4940079   17.5226530    6.6639309  0.00   -0.0011432   -0.0046943    0.0034190
 H    2.6602842   16.8298638    6.5305954  0.00   -0.0013886    0.0022114    0.0021242
 C    4.7701078   16.6822554    6.7521758  0.00    0.0002848    0.0000446    0.0020267
 H    4.9114610   16.0680424    5.8622837  0.00   -0.0038539    0.0033248   -0.0030307
 H    4.7225649   16.0126128    7.6141215  0.00   -0.0001139   -0.0005303    0.0035857
 H    5.6527938   17.3157883    6.8721083  0.00   -0.0062934    0.0049025   -0.0017154
 C    3.2845601   18.2853851    7.9695311  0.00   -0.0002485    0.0024373    0.0000358
 H    4.1370540   18.9269266    8.2034617  0.00   -0.0006174   -0.0017352    0.0003093
 H    3.1725804   17.5849638    8.8005150  0.00   -0.0061970    0.0049172    0.0007864
 H    2.3973122   18.9233779    7.9408951  0.00   -0.0030971    0.0034718    0.0015177
 C    2.2845087   18.6799809    1.8128138  0.00   -0.0033288   -0.0009822   -0.0021614
 H    1.5664422   17.8706894    1.9788849  0.00   -0.0051160    0.0016438   -0.0002203
 C    1.5239700   19.8890728    1.2763147  0.00    0.0005784    0.0008318    0.0016840
 H    0.7963234   20.2701257    1.9985268  0.00   -0.0034622    0.0042025   -0.0020288
 H    0.9882897   19.6264870    0.3615671  0.00   -0.0014670    0.0036321    0.0034134
 H    2.1999058   20.7118727    1.0341761  0.00   -0.0030841    0.0009480   -0.0008754
 C    3.2872443   18.1801914    0.7708313  0.00   -0.0024307   -0.0007470    0.0000681
 H    4.0344493   18.9449384    0.5439323  0.00   -0.0050081    0.0032756    0.0072779
 H    2.7721482   17.9328499   -0.1601728  0.00   -0.0028044    0.0005894   -0.0029397
 H    3.8103329   17.2863075    1.1129532  0.00   -0.0035733    0.0028092    0.0059143
 C   -0.1872941   16.9272302    7.1306582  0.00    0.0002706   -0.0063914    0.0051608
 H    0.6688920   17.4582447    7.5839228  0.00   -0.0009859    0.0016592    0.0001608
 H   -1.0912929   17.3838017    7.5716344  0.00    0.0024325    0.0012831    0.0004340
 C    1.4442850   14.2913621    7.2325233  0.00   -0.0009196    0.0016460   -0.0001718
 H    1.5487663   14.2565982    6.1450592  0.00   -0.0027941    0.0026634    0.0012653
 H    1.4347638   13.2590915    7.5949571  0.00    0.0005504   -0.0006171    0.0013255
 H    2.3410403   14.7649767    7.6397410  0.00   -0.0001721    0.0002175    0.0007769
 C   -0.1222829   15.2033806    9.6768761  0.00   -0.0002083    0.0012964   -0.0042349
 H    0.7401830   15.7513108   10.0660392  0.00   -0.0016633   -0.0019000    0.0006606
 H   -0.0846531   14.1900741   10.0872724  0.00   -0.0002368    0.0042533    0.0036775
 H   -1.0238730   15.6853201   10.0646383  0.00    0.0016174   -0.0017964    0.0008934
 C   -1.6135581   14.1805506    7.2280036  0.00    0.0004908    0.0015156   -0.0001891
 H   -2.5424614   14.5884079    7.6343985  0.00   -0.0004643   -0.0003538    0.0005942
 H   -1.5311146   13.1506857    7.5878624  0.00   -0.0008422   -0.0007331    0.0012380
 H   -1.7131686   14.1416987    6.1401883  0.00    0.0023092    0.0023505    0.0013710
129
 Energy =   -2867.2883629200
 O   -0.1364436   15.6084921    3.8520089  0.00   -0.0001151   -0.0087512   -0.0048421
Th   -0.2045697   17.7948065    4.9095935  0.00   -0.0009659    0.0119606   -0.0195721
Si   -0.1193548   15.1621066    7.8010631  0.00   -0.0000022   -0.0018365    0.0021303
 N   -2.1867032   17.0070532    4.2207925  0.00   -0.0034811   -0.0009977   -0.0018867
 N    1.8251853   17.1173464    4.2475032  0.00    0.0031394    0.0001741   -0.0022851
 C   -2.5948275   13.1878797    2.6268024  0.00    0.0102362    0.0077841    0.0010730
 H   -2.6552136   12.1883090    2.2173758  0.00   -0.0001124    0.0230498    0.0104798
 C   -3.7619870   13.9165302    2.8176958  0.00    0.0030186   -0.0133319   -0.0055119
 C   -3.6711439   15.2094405    3.3472670  0.00    0.0074591   -0.0089490   -0.0014024
 H   -4.5619223   15.8098512    3.4926867  0.00    0.0154280   -0.0068460   -0.0014532
 C   -2.4407697   15.7479376    3.6842286  0.00   -0.0043199   -0.0024651   -0.0025478
 C    2.1563380   15.8824535    3.6990299  0.00    0.0042860   -0.0020227   -0.0033792
 C    3.4171725   15.4247473    3.3570768  0.00   -0.0068394   -0.0088771   -0.0008140
 H    4.2691594   16.0775743    3.5087582  0.00   -0.0142385   -0.0083280   -0.0018535
 C    3.5872442   14.1416180    2.8232003  0.00   -0.0014461   -0.0144149   -0.0058569
 C    2.4671786   13.3431071    2.6294663  0.00   -0.0112235    0.0075118    0.0007851
 H    2.5893251   12.3502767    2.2173462  0.00   -0.0014535    0.0233680    0.0108668
 C   -0.0528183   12.8933493    2.7292813  0.00    0.0000088   -0.0016154   -0.0011099
 C   -1.3287097   13.6967796    2.9433867  0.00    0.0091960   -0.0022363   -0.0001373
 C   -1.3099097   14.9606997    3.4730730  0.00    0.0002910   -0.0029435    0.0012900
 C    1.0748422   15.0309695    3.4788227  0.00    0.0007049   -0.0024500    0.0016333
 C    1.1715214   13.7725132    2.9453376  0.00   -0.0089718   -0.0033878   -0.0003299
 C   -0.0178033   11.7323650    3.7360670  0.00    0.0000760    0.0001489   -0.0027757
 H   -0.0297347   12.1021066    4.7634342  0.00    0.0000179   -0.0031345   -0.0040502
 H    0.8865756   11.1362594    3.5977860  0.00   -0.0040229   -0.0048415    0.0018754
 H   -0.8835816   11.0816332    3.5968693  0.00    0.0043239   -0.0042940    0.0017783
 C   -0.0349609   12.3366521    1.3005582  0.00   -0.0000393   -0.0018837    0.0017068
 H   -0.8940451   11.6880479    1.1271548  0.00    0.0043441   -0.0045017   -0.0063198
 H    0.8623687   11.7417568    1.1284517  0.00   -0.0040937   -0.0049468   -0.0064386
 H   -0.0591191   13.1438163    0.5660282  0.00    0.0000873   -0.0062948   -0.0011874
 C   -5.1363155   13.3549334    2.4578902  0.00    0.0087124    0.0005935    0.0009203
 C   -6.0248560   13.3389034    3.7069012  0.00    0.0003681   -0.0002438   -0.0028526
 H   -5.5817979   12.7284765    4.4974524  0.00   -0.0023059   -0.0020639   -0.0021601
 H   -7.0048634   12.9217651    3.4627873  0.00   -0.0018116   -0.0005693    0.0037485
 H   -6.1852783   14.3429246    4.1050439  0.00   -0.0022932   -0.0005319   -0.0013894
 C   -5.7814368   14.2441621    1.3882806  0.00   -0.0004319   -0.0021370    0.0017698
 H   -5.9177306   15.2694821    1.7390812  0.00   -0.0024799   -0.0011758    0.0002581
 H   -6.7660028   13.8527747    1.1208705  0.00   -0.0015287    0.0022283   -0.0037868
 H   -5.1708049   14.2749219    0.4824812  0.00   -0.0023720   -0.0027003   -0.0002879
 C   -5.0535912   11.9320475    1.9121037  0.00   -0.0012112    0.0028355    0.0009706
 H   -4.4613458   11.8811064    0.9948455  0.00   -0.0070181   -0.0026218    0.0007586
 H   -6.0583963   11.5770387    1.6740670  0.00    0.0036100   -0.0034864   -0.0009765
 H   -4.6243583   11.2406558    2.6418882  0.00   -0.0065668   -0.0007527   -0.0036898
 C    4.9946375   13.6635290    2.4712809  0.00   -0.0084764   -0.0002210    0.0007602
 C    5.6064513   14.6064076    1.4287091  0.00    0.0006074   -0.0022029    0.0015912
 H    6.6119400   14.2696388    1.1650437  0.00    0.0016359    0.0023953   -0.0039082
 H    5.6896889   15.6290574    1.8030784  0.00    0.0025632   -0.0011955    0.0003345
 H    5.0050746   14.6271775    0.5164634  0.00    0.0025379   -0.0026828   -0.0004007
 C    5.8643227   13.6714200    3.7338519  0.00   -0.0002796   -0.0002930   -0.0029890
 H    5.4458614   13.0187436    4.5037642  0.00    0.0025550   -0.0019223   -0.0022047
 H    5.9585103   14.6740178    4.1562278  0.00    0.0023310   -0.0004100   -0.0015286
 H    6.8707304   13.3176584    3.4969455  0.00    0.0016341   -0.0005573    0.0038485
 C    4.9970648   12.2493447    1.8975364  0.00    0.0012243    0.0027921    0.0009506
 H    4.6018792   11.5205261    2.6098577  0.00    0.0070796   -0.0005648   -0.0039025
 H    6.0222951   11.9562777    1.6623644  0.00   -0.0034703   -0.0041212   -0.0012304
 H    4.4156728   12.1835393    0.9742690  0.00    0.0074406   -0.0025827    0.0007205
 C   -3.2140252   17.9971252    4.2655870  0.00   -0.0080720    0.0011591   -0.0026104
 C   -4.0117631   18.1553285    5.4225331  0.00    0.0027881    0.0048493    0.0021945
 C   -4.9862369   19.1490513    5.4286863  0.00   -0.0079122   -0.0036503   -0.0011742
 H   -5.6133127   19.2718816    6.3046311  0.00    0.0138531    0.0008140   -0.0007563
 C   -5.1955814   19.9599591    4.3303379  0.00   -0.0041718   -0.0049401   -0.0042954
 H   -5.9735029   20.7150369    4.3513505  0.00    0.0133556    0.0006550    0.0029952
 C   -4.4262830   19.7888721    3.1938014  0.00   -0.0077105   -0.0029142   -0.0023735
 H   -4.6196992   20.4125981    2.3289390  0.00    0.0145111   -0.0013136    0.0052656
 C   -3.4338625   18.8169585    3.1301823  0.00    0.0036362    0.0069419    0.0009071
 C   -2.6879604   18.6250267    1.8255650  0.00    0.0030728    0.0022609   -0.0041811
 H   -1.8012246   18.0117225    2.0270481  0.00    0.0015230    0.0023076    0.0019724
 C   -3.5425671   17.8541015    0.8159288  0.00    0.0033237   -0.0012478   -0.0017381
 H   -3.8377072   16.8759599    1.1960493  0.00    0.0029940    0.0032272    0.0046943
 H   -2.9858860   17.7024984   -0.1116243  0.00    0.0025775   -0.0001040   -0.0056524
 H   -4.4500845   18.4133502    0.5727407  0.00    0.0057166    0.0050728    0.0084177
 C   -2.2261125   19.9435095    1.2107948  0.00    0.0027282    0.0012743    0.0056151
 H   -3.0712480   20.5430527    0.8667874  0.00    0.0022229    0.0006217    0.0001171
 H   -1.5962337   19.7519266    0.3399737  0.00    0.0012332    0.0027470    0.0036564
 H   -1.6578767   20.5541790    1.9171047  0.00    0.0013213    0.0006153   -0.0030081
 C   -3.9012617   17.2461270    6.6262198  0.00    0.0024898   -0.0017869    0.0048246
 H   -3.0203550   16.6156615    6.4878327  0.00    0.0021993    0.0015859    0.0015055
 C   -5.1122864   16.3168012    6.7261370  0.00    0.0007540   -0.0030835    0.0033179
 H   -6.0383579   16.8837725    6.8513801  0.00    0.0070026    0.0063009   -0.0016572
 H   -5.0092606   15.6559733    7.5899817  0.00   -0.0016056   -0.0022387    0.0044410
 H   -5.2149000   15.6900415    5.8398600  0.00    0.0037572    0.0035180   -0.0032102
 C   -3.7379816   18.0271378    7.9286775  0.00    0.0008189    0.0011180    0.0004405
 H   -2.9095830   18.7392144    7.8849138  0.00    0.0021266    0.0014466    0.0022848
 H   -3.5542320   17.3427422    8.7603600  0.00    0.0022851    0.0033569   -0.0006452
 H   -4.6389395   18.5949688    8.1715858  0.00    0.0019161   -0.0016495    0.0013764
 C    2.7786921   18.1777553    4.2854292  0.00    0.0080575    0.0020470   -0.0043584
 C    2.9656940   18.9766282    3.1309437  0.00   -0.0038112    0.0072057    0.0006160
 C    3.8630739   20.0366462    3.1915965  0.00    0.0087094   -0.0013510   -0.0026054
 H    4.0288585   20.6465305    2.3104834  0.00   -0.0148162   -0.0007445    0.0051005
 C    4.5745757   20.3110971    4.3453823  0.00    0.0048318   -0.0045237   -0.0041733
 H    5.2790459   21.1351031    4.3669147  0.00   -0.0138967   -0.0000342    0.0030811
 C    4.4098337   19.5106330    5.4596142  0.00    0.0087964   -0.0032396   -0.0002620
 H    5.0015967   19.7100115    6.3459189  0.00   -0.0142155   -0.0000168   -0.0012553
 C    3.5317839   18.4305115    5.4555000  0.00   -0.0029550    0.0040994    0.0016643
 C    3.4918743   17.5227074    6.6647524  0.00   -0.0022191   -0.0014749    0.0047544
 H    2.6587382   16.8289874    6.5331110  0.00   -0.0019580    0.0018778    0.0008697
 C    4.7688252   16.6839161    6.7518648  0.00   -0.0002693   -0.0028293    0.0034545
 H    4.9099510   16.0699465    5.8617532  0.00   -0.0037177    0.0029806   -0.0025986
 H    4.7217563   16.0142308    7.6136997  0.00    0.0019194   -0.0020295    0.0044962
 H    5.6512275   17.3179061    6.8713986  0.00   -0.0069829    0.0053865   -0.0015659
 C    3.2829752   18.2870728    7.9696541  0.00   -0.0017495    0.0015813    0.0008946
 H    4.1366948   18.9270230    8.2035641  0.00   -0.0013347   -0.0021110    0.0005237
 H    3.1682378   17.5881473    8.8015264  0.00   -0.0046833    0.0038983    0.0002487
 H    2.3971219   18.9270544    7.9395092  0.00   -0.0021539    0.0029608    0.0011756
 C    2.2811911   18.6807546    1.8132755  0.00   -0.0037257    0.0014394   -0.0043984
 H    1.5624016   17.8716464    1.9774287  0.00   -0.0041187    0.0011230    0.0008118
 C    1.5219972   19.8908016    1.2762721  0.00   -0.0029625    0.0005900    0.0066315
 H    0.7948818   20.2731873    1.9987424  0.00   -0.0004686    0.0022117   -0.0049213
 H    0.9854951   19.6293971    0.3615876  0.00    0.0003781    0.0021049    0.0044495
 H    2.1990361   20.7125546    1.0341796  0.00   -0.0020453    0.0021479   -0.0013888
 C    3.2856337   18.1815862    0.7726925  0.00   -0.0036662   -0.0021957   -0.0011014
 H    4.0330245   18.9464416    0.5463319  0.00   -0.0069267    0.0027758    0.0085184
 H    2.7712909   17.9341226   -0.1585761  0.00   -0.0019681   -0.0003706   -0.0052726
 H    3.8085011   17.2878745    1.1156009  0.00   -0.0036015    0.0024866    0.0052063
 C   -0.1874273   16.9282502    7.1297112  0.00    0.0009328   -0.0026436    0.0020570
 H    0.6691908   17.4607149    7.5801090  0.00    0.0001121    0.0016320    0.0032853
 H   -1.0912118   17.3874592    7.5679743  0.00    0.0010072    0.0004202    0.0039102
 C    1.4440071   14.2926057    7.2323811  0.00   -0.0033859   -0.0000618    0.0031321
 H    1.5483397   14.2574730    6.1449159  0.00   -0.0024157    0.0025385    0.0012410
 H    1.4335097   13.2600797    7.5952297  0.00    0.0006261    0.0055916   -0.0006046
 H    2.3411306   14.7657326    7.6395634  0.00   -0.0010615   -0.0009227    0.0002595
 C   -0.1224021   15.2043253    9.6772220  0.00   -0.0001646   -0.0004820   -0.0051669
 H    0.7400469   15.7523343   10.0665398  0.00   -0.0022992   -0.0029164    0.0004440
 H   -0.0847177   14.1905269   10.0874606  0.00   -0.0004902    0.0103935    0.0002870
 H   -1.0239287   15.6863543   10.0652464  0.00    0.0023112   -0.0027996    0.0007023
 C   -1.6135318   14.1815323    7.2278747  0.00    0.0028822    0.0002594    0.0031567
 H   -2.5427500   14.5889933    7.6341644  0.00    0.0003508   -0.0016263   -0.0000493
 H   -1.5301915   13.1514715    7.5881304  0.00   -0.0012539    0.0055429   -0.0006009
 H   -1.7128190   14.1424152    6.1400504  0.00    0.0017539    0.0021120    0.0012152
129
 Energy =   -2867.2883954260
 O   -0.1363285   15.6061434    3.8510800  0.00    0.0003919   -0.0014896   -0.0013001
Th   -0.2044522   17.7943618    4.9078294  0.00   -0.0007131    0.0077776   -0.0165685
Si   -0.1195561   15.1638270    7.8009125  0.00    0.0004206   -0.0098246    0.0050830
 N   -2.1858403   17.0054136    4.2204617  0.00    0.0000538   -0.0010615   -0.0011661
 N    1.8246256   17.1156012    4.2471295  0.00   -0.0008467   -0.0004626   -0.0017761
 C   -2.5947161   13.1862423    2.6259343  0.00    0.0023537    0.0110082    0.0019346
 H   -2.6570784   12.1870045    2.2166620  0.00    0.0048214    0.0186074    0.0088527
 C   -3.7615994   13.9152198    2.8170778  0.00    0.0029474   -0.0082216   -0.0033567
 C   -3.6701933   15.2082112    3.3467886  0.00   -0.0037773   -0.0173245   -0.0058779
 H   -4.5612866   15.8076726    3.4918769  0.00    0.0120619   -0.0018952    0.0002104
 C   -2.4404325   15.7465981    3.6837544  0.00    0.0042681   -0.0028170   -0.0017526
 C    2.1561893   15.8809904    3.6985029  0.00   -0.0036888   -0.0013279   -0.0021876
 C    3.4163795   15.4233584    3.3565460  0.00    0.0049556   -0.0186164   -0.0062383
 H    4.2687638   16.0751819    3.5078386  0.00   -0.0108531   -0.0027795   -0.0000069
 C    3.5869932   14.1401184    2.8224915  0.00   -0.0024026   -0.0074947   -0.0028240
 C    2.4671775   13.3413338    2.6285303  0.00   -0.0029064    0.0111409    0.0016250
 H    2.5912655   12.3489397    2.2165943  0.00   -0.0061686    0.0186806    0.0092100
 C   -0.0527807   12.8919135    2.7287015  0.00    0.0001127   -0.0073960   -0.0026628
 C   -1.3286893   13.6951080    2.9424918  0.00    0.0097115   -0.0024630    0.0007655
 C   -1.3098474   14.9588957    3.4723105  0.00    0.0018769   -0.0018023    0.0013313
 C    1.0750154   15.0291291    3.4780411  0.00   -0.0024742   -0.0030046    0.0011630
 C    1.1716524   13.7707518    2.9443960  0.00   -0.0096973   -0.0022555    0.0011946
 C   -0.0177826   11.7311593    3.7358298  0.00    0.0000550   -0.0003051   -0.0025609
 H   -0.0297386   12.1016809    4.7628086  0.00    0.0000145   -0.0029538   -0.0019747
 H    0.8866712   11.1349194    3.5983152  0.00   -0.0045488   -0.0042027    0.0008795
 H   -0.8836101   11.0802540    3.5974070  0.00    0.0048615   -0.0035118    0.0007507
 C   -0.0349483   12.3353136    1.2999454  0.00    0.0000298   -0.0017574    0.0010260
 H   -0.8942100   11.6869898    1.1259437  0.00    0.0054931   -0.0040863   -0.0054597
 H    0.8625585   11.7407228    1.1272611  0.00   -0.0053267   -0.0046199   -0.0056386
 H   -0.0591205   13.1432312    0.5663166  0.00    0.0000823   -0.0065636   -0.0032449
 C   -5.1364134   13.3545523    2.4576893  0.00    0.0005154   -0.0050777   -0.0021110
 C   -6.0253102   13.3384995    3.7066223  0.00    0.0029930    0.0009357   -0.0010610
 H   -5.5819240   12.7283274    4.4972368  0.00   -0.0030727   -0.0021462   -0.0022998
 H   -7.0057013   12.9214508    3.4632264  0.00    0.0014466    0.0003897    0.0025256
 H   -6.1852236   14.3426618    4.1046676  0.00   -0.0029958   -0.0006742   -0.0010733
 C   -5.7819045   14.2437423    1.3880859  0.00    0.0023180   -0.0002986    0.0016032
 H   -5.9176981   15.2690436    1.7391938  0.00   -0.0032306   -0.0010305   -0.0002079
 H   -6.7667188   13.8529295    1.1201377  0.00    0.0014023    0.0019404   -0.0017645
 H   -5.1709139   14.2747586    0.4824877  0.00   -0.0032411   -0.0028439   -0.0003855
 C   -5.0543893   11.9315565    1.9118136  0.00    0.0000684    0.0026339    0.0008757
 H   -4.4618494   11.8807488    0.9948176  0.00   -0.0068014   -0.0030857   -0.0008458
 H   -6.0589575   11.5757385    1.6734908  0.00    0.0047348   -0.0006630    0.0002572
 H   -4.6248184   11.2404400    2.6415542  0.00   -0.0065739   -0.0021974   -0.0027652
 C    4.9948124   13.6630876    2.4710463  0.00    0.0001865   -0.0056236   -0.0023893
 C    5.6069707   14.6059867    1.4285026  0.00   -0.0022345   -0.0005157    0.0014057
 H    6.6126896   14.2698385    1.1642968  0.00   -0.0013390    0.0019215   -0.0019393
 H    5.6896909   15.6285772    1.8032019  0.00    0.0033154   -0.0010006   -0.0001226
 H    5.0051999   14.6270209    0.5164736  0.00    0.0034533   -0.0028134   -0.0005116
 C    5.8648196   13.6710274    3.7335591  0.00   -0.0029773    0.0007118   -0.0010804
 H    5.4460025   13.0186266    4.5035645  0.00    0.0033275   -0.0020053   -0.0023793
 H    5.9584651   14.6737544    4.1557945  0.00    0.0030630   -0.0004905   -0.0012071
 H    6.8716025   13.3173734    3.4974290  0.00   -0.0015588    0.0001823    0.0025558
 C    4.9979607   12.2488488    1.8972285  0.00    0.0000270    0.0024071    0.0007867
 H    4.6024067   11.5203123    2.6095216  0.00    0.0071824   -0.0020984   -0.0029979
 H    6.0229889   11.9549418    1.6617391  0.00   -0.0047220   -0.0014039    0.0000269
 H    4.4162338   12.1831794    0.9742460  0.00    0.0072687   -0.0030916   -0.0009700
 C   -3.2115083   17.9968155    4.2661472  0.00   -0.0064309   -0.0016896   -0.0060466
 C   -4.0087472   18.1553527    5.4231432  0.00   -0.0025463    0.0061685    0.0066868
 C   -4.9831355   19.1491245    5.4294688  0.00   -0.0031674   -0.0006451   -0.0122459
 H   -5.6106394   19.2711491    6.3046231  0.00    0.0095714    0.0024002    0.0057807
 C   -5.1922671   19.9602447    4.3309752  0.00   -0.0069579   -0.0158243   -0.0015599
 H   -5.9726648   20.7124305    4.3504977  0.00    0.0131701    0.0069536    0.0045148
 C   -4.4229401   19.7889199    3.1946520  0.00   -0.0060114   -0.0036454   -0.0001201
 H   -4.6168237   20.4116054    2.3295444  0.00    0.0135858    0.0026936    0.0015279
 C   -3.4304598   18.8171209    3.1310372  0.00    0.0009418    0.0086235   -0.0000216
 C   -2.6854602   18.6257141    1.8257681  0.00    0.0047966    0.0021594   -0.0010381
 H   -1.7982175   18.0125015    2.0257680  0.00    0.0002994    0.0022111    0.0029040
 C   -3.5413772   17.8551928    0.8170261  0.00    0.0052221    0.0007605   -0.0020380
 H   -3.8367044   16.8774540    1.1979016  0.00    0.0031195    0.0021941    0.0035425
 H   -2.9854138   17.7035162   -0.1109817  0.00    0.0010466   -0.0009319   -0.0055670
 H   -4.4487606   18.4152180    0.5750988  0.00    0.0058373    0.0042882    0.0074631
 C   -2.2245808   19.9447974    1.2115240  0.00    0.0012540    0.0006888    0.0006734
 H   -3.0703356   20.5434578    0.8673861  0.00    0.0028551    0.0007668    0.0005936
 H   -1.5942957   19.7545298    0.3406504  0.00    0.0003017    0.0014163    0.0040391
 H   -1.6570326   20.5559941    1.9176599  0.00    0.0020526    0.0014741   -0.0002472
 C   -3.8996236   17.2462850    6.6271202  0.00    0.0039973   -0.0002363    0.0033350
 H   -3.0190255   16.6152641    6.4897423  0.00    0.0027961    0.0011217    0.0010449
 C   -5.1114009   16.3178533    6.7261064  0.00    0.0031093   -0.0017352    0.0023132
 H   -6.0370205   16.8856594    6.8508079  0.00    0.0067174    0.0056335   -0.0011613
 H   -5.0088854   15.6569879    7.5899049  0.00   -0.0030250   -0.0035055    0.0045211
 H   -5.2136700   15.6917371    5.8392980  0.00    0.0032648    0.0027049   -0.0018079
 C   -3.7369490   18.0280152    7.9292747  0.00    0.0022513    0.0007563    0.0011141
 H   -2.9091739   18.7408699    7.8854247  0.00    0.0014444    0.0012660    0.0013039
 H   -3.5522520   17.3445105    8.7614300  0.00    0.0015357    0.0018543   -0.0006707
 H   -4.6384504   18.5949526    8.1719979  0.00    0.0014076   -0.0008509    0.0015739
 C    2.7763635   18.1772381    4.2858158  0.00    0.0071350   -0.0016698   -0.0059881
 C    2.9624576   18.9766401    3.1317512  0.00   -0.0019328    0.0092133   -0.0019030
 C    3.8597482   20.0366589    3.1925595  0.00    0.0072293   -0.0020363    0.0001765
 H    4.0260411   20.6456783    2.3113717  0.00   -0.0141702    0.0034638    0.0008277
 C    4.5711630   20.3113158    4.3462105  0.00    0.0082649   -0.0155529   -0.0011207
 H    5.2781775   21.1327863    4.3666524  0.00   -0.0138997    0.0066224    0.0042007
 C    4.4067940   19.5104169    5.4604473  0.00    0.0031897   -0.0012630   -0.0124996
 H    4.9990149   19.7088431    6.3460047  0.00   -0.0097414    0.0025014    0.0059485
 C    3.5289027   18.4301921    5.4559794  0.00    0.0024077    0.0065767    0.0051308
 C    3.4903018   17.5227447    6.6655113  0.00   -0.0039978   -0.0002847    0.0031908
 H    2.6575360   16.8284921    6.5349146  0.00   -0.0027153    0.0013084    0.0004353
 C    4.7678982   16.6848870    6.7518335  0.00   -0.0028292   -0.0015662    0.0027304
 H    4.9086718   16.0714621    5.8612424  0.00   -0.0032375    0.0023185   -0.0010905
 H    4.7212919   16.0152551    7.6136542  0.00    0.0034716   -0.0031631    0.0046682
 H    5.6497508   17.3197102    6.8708165  0.00   -0.0064357    0.0047117   -0.0010307
 C    3.2817374   18.2883533    7.9697829  0.00   -0.0029911    0.0008637    0.0013906
 H    4.1364079   18.9269797    8.2036713  0.00   -0.0014019   -0.0015153    0.0010313
 H    3.1649205   17.5905972    8.8022753  0.00   -0.0034788    0.0023884    0.0005551
 H    2.3968738   18.9297319    7.9386476  0.00   -0.0013465    0.0028495    0.0005269
 C    2.2787305   18.6813795    1.8134433  0.00   -0.0054786    0.0006426   -0.0008832
 H    1.5593408   17.8723858    1.9764729  0.00   -0.0024199    0.0019014    0.0011822
 C    1.5204648   19.8920661    1.2765705  0.00   -0.0002914    0.0013871    0.0010511
 H    0.7938195   20.2754549    1.9986260  0.00   -0.0022642    0.0026015   -0.0016470
 H    0.9835364   19.6315509    0.3618140  0.00    0.0013136    0.0009854    0.0051001
 H    2.1983082   20.7131487    1.0341018  0.00   -0.0025921    0.0013905   -0.0005813
 C    3.2842911   18.1824464    0.7738997  0.00   -0.0057657   -0.0007025   -0.0014622
 H    4.0316483   18.9476632    0.5484920  0.00   -0.0073864    0.0020131    0.0079723
 H    2.7705795   17.9349947   -0.1577404  0.00   -0.0004058   -0.0009318   -0.0054094
 H    3.8070179   17.2890976    1.1177693  0.00   -0.0033599    0.0012812    0.0041044
 C   -0.1874602   16.9290061    7.1290349  0.00    0.0007021    0.0022712   -0.0041634
 H    0.6693420   17.4624734    7.5776347  0.00    0.0011415    0.0014815    0.0052121
 H   -1.0910423   17.3899834    7.5656492  0.00    0.0002091   -0.0004020    0.0058178
 C    1.4436456   14.2934654    7.2324722  0.00   -0.0025369    0.0023491    0.0008273
 H    1.5478849   14.2582427    6.1448536  0.00   -0.0024644    0.0023109    0.0035330
 H    1.4326794   13.2610033    7.5954138  0.00    0.0003581    0.0054687   -0.0004946
 H    2.3411515   14.7662250    7.6394709  0.00   -0.0022930   -0.0015852   -0.0000874
 C   -0.1224944   15.2049610    9.6771817  0.00   -0.0002756    0.0027092   -0.0033688
 H    0.7398481   15.7528964   10.0669219  0.00   -0.0021373   -0.0027757   -0.0002236
 H   -0.0847870   14.1913345   10.0876825  0.00   -0.0004534    0.0089285   -0.0010828
 H   -1.0238652   15.6869292   10.0657181  0.00    0.0021049   -0.0026813    0.0000502
 C   -1.6133742   14.1822267    7.2279763  0.00    0.0018867    0.0026837    0.0007383
 H   -2.5429514   14.5893255    7.6340152  0.00    0.0014076   -0.0022250   -0.0003978
 H   -1.5296225   13.1522500    7.5883105  0.00   -0.0008580    0.0055839   -0.0004243
 H   -1.7124562   14.1430512    6.1399906  0.00    0.0016986    0.0018676    0.0034620
129
 Energy =   -2867.2884462430
 O   -0.1361477   15.6032542    3.8498244  0.00   -0.0005668    0.0116803    0.0059333
Th   -0.2043756   17.7945932    4.9038611  0.00   -0.0000703   -0.0020152   -0.0011122
Si   -0.1198021   15.1658088    7.8007654  0.00    0.0005811   -0.0114765    0.0045255
 N   -2.1849479   17.0033811    4.2197627  0.00    0.0072027    0.0019730   -0.0005637
 N    1.8240400   17.1135291    4.2462676  0.00   -0.0077781    0.0021871   -0.0006696
 C   -2.5941007   13.1851822    2.6250006  0.00    0.0082229   -0.0026274   -0.0008642
 H   -2.6592976   12.1865747    2.2163676  0.00    0.0122749    0.0059290    0.0033186
 C   -3.7604254   13.9131022    2.8161127  0.00   -0.0169225    0.0014010   -0.0014567
 C   -3.6687234   15.2053340    3.3458072  0.00    0.0065663   -0.0000750    0.0015237
 H   -4.5591346   15.8042452    3.4907027  0.00   -0.0019663    0.0071163    0.0026075
 C   -2.4392834   15.7448843    3.6832006  0.00   -0.0105486   -0.0182438   -0.0087579
 C    2.1553057   15.8792370    3.6978724  0.00    0.0113524   -0.0198125   -0.0105226
 C    3.4152252   15.4201395    3.3554674  0.00   -0.0072755    0.0027716    0.0026525
 H    4.2670562   16.0713651    3.5064956  0.00    0.0017853    0.0064015    0.0023665
 C    3.5860130   14.1378054    2.8214557  0.00    0.0167032    0.0000240   -0.0020581
 C    2.4666654   13.3400740    2.6274711  0.00   -0.0080007   -0.0008252   -0.0000672
 H    2.5934860   12.3484745    2.2162786  0.00   -0.0127175    0.0050286    0.0032539
 C   -0.0527193   12.8895222    2.7277065  0.00    0.0003326   -0.0076672   -0.0010198
 C   -1.3277524   13.6930901    2.9414568  0.00   -0.0055608   -0.0047777   -0.0002181
 C   -1.3094556   14.9565210    3.4715398  0.00    0.0112863    0.0033036    0.0023330
 C    1.0748699   15.0265954    3.4772303  0.00   -0.0098803    0.0067263    0.0035925
 C    1.1708929   13.7686571    2.9433359  0.00    0.0058846   -0.0069434   -0.0011086
 C   -0.0177487   11.7294669    3.7352552  0.00    0.0002358   -0.0042096    0.0017779
 H   -0.0297429   12.1008717    4.7617507  0.00    0.0000179   -0.0021097    0.0007053
 H    0.8864757   11.1326502    3.5991258  0.00   -0.0027162   -0.0030573   -0.0014813
 H   -0.8832946   11.0779875    3.5982165  0.00    0.0028969   -0.0025256   -0.0016502
 C   -0.0349261   12.3332840    1.2991829  0.00    0.0002696   -0.0035719   -0.0058642
 H   -0.8940505   11.6850959    1.1237624  0.00    0.0045735   -0.0034014   -0.0026199
 H    0.8624520   11.7388226    1.1250936  0.00   -0.0045585   -0.0038362   -0.0028646
 H   -0.0591150   13.1418897    0.5664544  0.00    0.0000661   -0.0056152   -0.0056910
 C   -5.1364203   13.3537766    2.4573121  0.00   -0.0083066   -0.0081015   -0.0041966
 C   -6.0257421   13.3379991    3.7061491  0.00    0.0025812    0.0001349    0.0005815
 H   -5.5823476   12.7279327    4.4967232  0.00   -0.0023100   -0.0025544   -0.0004888
 H   -7.0068555   12.9210040    3.4640655  0.00    0.0078260    0.0023964   -0.0002401
 H   -6.1853741   14.3422168    4.1040085  0.00   -0.0027564    0.0005056   -0.0000975
 C   -5.7824138   14.2431234    1.3879276  0.00    0.0022995    0.0001873   -0.0002191
 H   -5.9179054   15.2682962    1.7393529  0.00   -0.0030965    0.0005646   -0.0001351
 H   -6.7677033   13.8532935    1.1189132  0.00    0.0070983    0.0011651    0.0026144
 H   -5.1713320   14.2742682    0.4824821  0.00   -0.0023253   -0.0020592   -0.0019841
 C   -5.0555241   11.9310922    1.9114800  0.00    0.0010243   -0.0037595   -0.0015668
 H   -4.4631093   11.8799971    0.9946811  0.00   -0.0037435   -0.0029864   -0.0043088
 H   -6.0594771   11.5737876    1.6726639  0.00    0.0031178    0.0039929    0.0019141
 H   -4.6260025   11.2399366    2.6408843  0.00   -0.0041960   -0.0045742    0.0002678
 C    4.9949664   13.6621840    2.4706033  0.00    0.0088427   -0.0072627   -0.0040487
 C    5.6075617   14.6053497    1.4283129  0.00   -0.0021393   -0.0002227   -0.0002629
 H    6.6137305   14.2702699    1.1630393  0.00   -0.0071268    0.0007940    0.0023255
 H    5.6899542   15.6277703    1.8033814  0.00    0.0031112    0.0005598   -0.0000414
 H    5.0056601   14.6265399    0.5164646  0.00    0.0025277   -0.0020800   -0.0021932
 C    5.8653132   13.6705252    3.7330660  0.00   -0.0024426   -0.0001780    0.0005240
 H    5.4464699   13.0182869    4.5030677  0.00    0.0025108   -0.0026030   -0.0005755
 H    5.9586354   14.6733178    4.1550469  0.00    0.0027591    0.0007224   -0.0001975
 H    6.8727992   13.3169548    3.4983323  0.00   -0.0077302    0.0017686   -0.0003020
 C    4.9992393   12.2483611    1.8968649  0.00   -0.0007667   -0.0042912   -0.0018628
 H    4.6037366   11.5198138    2.6088290  0.00    0.0048366   -0.0047926    0.0000601
 H    6.0237025   11.9528809    1.6608222  0.00   -0.0031218    0.0033654    0.0017490
 H    4.4176137   12.1824228    0.9741053  0.00    0.0041994   -0.0031539   -0.0045955
 C   -3.2087548   17.9963245    4.2664404  0.00   -0.0047629   -0.0077365    0.0016835
 C   -4.0052232   18.1554383    5.4242307  0.00    0.0020832   -0.0019221   -0.0036429
 C   -4.9793365   19.1488298    5.4295827  0.00   -0.0057544   -0.0007887    0.0064320
 H   -5.6062287   19.2704651    6.3051956  0.00    0.0072937    0.0042293    0.0044923
 C   -5.1883957   19.9597424    4.3317506  0.00   -0.0109153   -0.0159249   -0.0144090
 H   -5.9705313   20.7096216    4.3497427  0.00    0.0108194    0.0135888    0.0066508
 C   -4.4190011   19.7884053    3.1956359  0.00   -0.0047538    0.0036313    0.0008935
 H   -4.6117336   20.4106354    2.3304299  0.00    0.0091707    0.0079472   -0.0024449
 C   -3.4262529   18.8175533    3.1320265  0.00    0.0010541    0.0003860   -0.0042572
 C   -2.6818788   18.6267201    1.8260093  0.00    0.0019020    0.0048703    0.0027883
 H   -1.7942613   18.0137971    2.0243823  0.00    0.0027523   -0.0001602    0.0050353
 C   -3.5393134   17.8566709    0.8182248  0.00    0.0066009    0.0025361    0.0015292
 H   -3.8350808   16.8796188    1.2007696  0.00    0.0039769    0.0020445   -0.0000848
 H   -2.9846363   17.7047965   -0.1106556  0.00   -0.0013913   -0.0016355   -0.0038465
 H   -4.4464848   18.4181382    0.5789536  0.00    0.0052387    0.0024674    0.0039913
 C   -2.2224778   19.9465339    1.2125409  0.00    0.0006222    0.0020360   -0.0024347
 H   -3.0689094   20.5440604    0.8681818  0.00    0.0024651    0.0015851    0.0009300
 H   -1.5916657   19.7581348    0.3418976  0.00    0.0013108   -0.0013966    0.0005672
 H   -1.6556150   20.5585297    1.9182989  0.00    0.0021314    0.0021890    0.0034752
 C   -3.8972398   17.2464663    6.6284907  0.00    0.0041197    0.0032024    0.0011686
 H   -3.0170227   16.6149451    6.4923450  0.00    0.0046398    0.0005007   -0.0003239
 C   -5.1099442   16.3190181    6.7262978  0.00    0.0052738    0.0024551    0.0015587
 H   -6.0346219   16.8887411    6.8499327  0.00    0.0066552    0.0022521   -0.0001569
 H   -5.0086316   15.6580064    7.5902651  0.00   -0.0045892   -0.0031771    0.0014843
 H   -5.2116865   15.6942892    5.8383510  0.00    0.0022762    0.0009359    0.0016084
 C   -3.7353889   18.0292361    7.9301043  0.00    0.0024904    0.0017272    0.0025725
 H   -2.9084396   18.7430656    7.8863370  0.00    0.0006044    0.0014017   -0.0004959
 H   -3.5494565   17.3470673    8.7628258  0.00    0.0008289   -0.0017864    0.0008905
 H   -4.6377511   18.5948416    8.1727181  0.00    0.0019150   -0.0000175    0.0013342
 C    2.7739116   18.1765140    4.2859066  0.00    0.0056782   -0.0064842    0.0005710
 C    2.9584546   18.9769493    3.1325487  0.00   -0.0016224   -0.0006736   -0.0037807
 C    3.8559611   20.0362010    3.1937034  0.00    0.0037901    0.0045016   -0.0007839
 H    4.0209718   20.6449735    2.3125705  0.00   -0.0100385    0.0088272   -0.0031345
 C    4.5672510   20.3107295    4.3472503  0.00    0.0135504   -0.0147327   -0.0136031
 H    5.2759318   21.1303295    4.3666577  0.00   -0.0122459    0.0130473    0.0059529
 C    4.4031004   19.5096828    5.4605731  0.00    0.0071172    0.0013162    0.0070032
 H    4.9946832   19.7075901    6.3467091  0.00   -0.0080802    0.0044046    0.0038384
 C    3.5255947   18.4299047    5.4568107  0.00   -0.0025578   -0.0041021   -0.0043827
 C    3.4880026   17.5227766    6.6667031  0.00   -0.0044147    0.0032433    0.0004606
 H    2.6557125   16.8280629    6.5373133  0.00   -0.0049465    0.0002651   -0.0008331
 C    4.7664206   16.6859527    6.7520567  0.00   -0.0055886    0.0022772    0.0021271
 H    4.9066279   16.0737250    5.8604263  0.00   -0.0023232    0.0009648    0.0024989
 H    4.7209601   16.0163150    7.6140676  0.00    0.0049937   -0.0026160    0.0018700
 H    5.6471874   17.3225969    6.8699427  0.00   -0.0059035    0.0015054    0.0000749
 C    3.2798455   18.2901200    7.9700325  0.00   -0.0032900    0.0010814    0.0023173
 H    4.1359983   18.9267820    8.2039218  0.00   -0.0026576   -0.0008508    0.0015934
 H    3.1601671   17.5940970    8.8033480  0.00   -0.0016631   -0.0008580    0.0018580
 H    2.3963493   18.9333794    7.9377235  0.00   -0.0001839    0.0028801   -0.0007663
 C    2.2751296   18.6821595    1.8136698  0.00   -0.0029142    0.0053169    0.0023139
 H    1.5550838   17.8735860    1.9753743  0.00   -0.0031525    0.0000890    0.0029022
 C    1.5184565   19.8938386    1.2770526  0.00    0.0011524    0.0031373   -0.0031512
 H    0.7921380   20.2786920    1.9982773  0.00   -0.0038799    0.0028572    0.0032000
 H    0.9810381   19.6344965    0.3625336  0.00    0.0000772   -0.0016234    0.0010960
 H    2.1970946   20.7140901    1.0339101  0.00   -0.0017046    0.0010712    0.0006231
 C    3.2819894   18.1834992    0.7752874  0.00   -0.0070119   -0.0001509    0.0017512
 H    4.0291641   18.9495237    0.5521229  0.00   -0.0068184    0.0009914    0.0051055
 H    2.7695478   17.9360629   -0.1571547  0.00    0.0017467   -0.0014068   -0.0040934
 H    3.8047414   17.2908207    1.1211045  0.00   -0.0042143    0.0009371    0.0004572
 C   -0.1874259   16.9303094    7.1277206  0.00    0.0005746    0.0097835   -0.0125002
 H    0.6694844   17.4647830    7.5749226  0.00    0.0009886   -0.0000173    0.0054626
 H   -1.0906308   17.3931089    7.5631938  0.00    0.0002798   -0.0021927    0.0061566
 C    1.4429890   14.2947344    7.2326987  0.00    0.0001168    0.0048524   -0.0017898
 H    1.5469762   14.2595313    6.1450270  0.00   -0.0022196    0.0018099    0.0044296
 H    1.4316844   13.2624833    7.5956915  0.00   -0.0002907    0.0026491    0.0001199
 H    2.3410324   14.7667773    7.6394070  0.00   -0.0032088   -0.0011211   -0.0001577
 C   -0.1226391   15.2059767    9.6767803  0.00   -0.0003768    0.0069255    0.0014352
 H    0.7394344   15.7533702   10.0674296  0.00    0.0004606    0.0001033   -0.0010397
 H   -0.0849138   14.1930633   10.0881221  0.00   -0.0002077    0.0017294   -0.0024962
 H   -1.0236336   15.6874268   10.0663696  0.00   -0.0007787    0.0000081   -0.0007946
 C   -1.6130413   14.1833102    7.2282083  0.00   -0.0007788    0.0049571   -0.0019428
 H   -2.5431601   14.5895996    7.6338485  0.00    0.0020669   -0.0015658   -0.0004306
 H   -1.5290022   13.1535470    7.5885850  0.00    0.0002196    0.0031296    0.0002708
 H   -1.7117456   14.1441245    6.1401633  0.00    0.0013633    0.0014371    0.0042235
129
 Energy =   -2867.2884754890
 O   -0.1360996   15.6026250    3.8495327  0.00   -0.0005934    0.0150705    0.0081913
Th   -0.2043811   17.7949067    4.9018390  0.00    0.0002124   -0.0005207    0.0025386
Si   -0.1198658   15.1661298    7.8008397  0.00    0.0000726   -0.0015518    0.0009809
 N   -2.1845837   17.0027128    4.2193463  0.00    0.0023795   -0.0073382   -0.0028812
 N    1.8237397   17.1129014    4.2457516  0.00   -0.0019365   -0.0071621   -0.0031569
 C   -2.5933338   13.1850995    2.6247242  0.00   -0.0104048   -0.0020333   -0.0010975
 H   -2.6595461   12.1871428    2.2166331  0.00    0.0147210   -0.0067017   -0.0022052
 C   -3.7603925   13.9122257    2.8156485  0.00   -0.0071924    0.0004744   -0.0005085
 C   -3.6678165   15.2039744    3.3454458  0.00   -0.0102339    0.0033458    0.0003873
 H   -4.5579640   15.8030976    3.4903470  0.00   -0.0040935    0.0082898    0.0031704
 C   -2.4391641   15.7437009    3.6827213  0.00    0.0092274   -0.0075067   -0.0016778
 C    2.1552938   15.8780124    3.6972947  0.00   -0.0079882   -0.0064461   -0.0018579
 C    3.4144382   15.4187408    3.3551147  0.00    0.0101624    0.0029982   -0.0001410
 H    4.2660766   16.0700110    3.5060626  0.00    0.0040585    0.0084232    0.0032101
 C    3.5860513   14.1368025    2.8209517  0.00    0.0079867    0.0030526    0.0002544
 C    2.4659269   13.3399853    2.6271719  0.00    0.0094486   -0.0028248   -0.0014142
 H    2.5936820   12.3489981    2.2165439  0.00   -0.0144178   -0.0065167   -0.0018993
 C   -0.0526831   12.8883337    2.7272812  0.00    0.0003421   -0.0083343   -0.0022238
 C   -1.3273677   13.6922063    2.9411039  0.00    0.0026580    0.0051422    0.0038368
 C   -1.3087235   14.9558440    3.4714682  0.00   -0.0025407   -0.0032108   -0.0016064
 C    1.0742742   15.0259706    3.4771935  0.00    0.0018394   -0.0054618   -0.0028581
 C    1.1705782   13.7676666    2.9429461  0.00   -0.0025918    0.0075034    0.0049084
 C   -0.0177259   11.7286841    3.7350287  0.00    0.0002678   -0.0053745    0.0025332
 H   -0.0297436   12.1004239    4.7613168  0.00    0.0000144   -0.0013251    0.0022341
 H    0.8862039   11.1315598    3.5993971  0.00   -0.0001017   -0.0032659   -0.0021907
 H   -0.8829627   11.0769359    3.5984770  0.00    0.0001915   -0.0030241   -0.0023725
 C   -0.0349076   12.3323478    1.2987121  0.00    0.0001755   -0.0039116   -0.0063926
 H   -0.8937060   11.6841249    1.1226938  0.00    0.0017336   -0.0039788   -0.0016575
 H    0.8621355   11.7378201    1.1240162  0.00   -0.0016688   -0.0042188   -0.0019050
 H   -0.0591079   13.1410169    0.5662121  0.00    0.0000413   -0.0040036   -0.0064740
 C   -5.1366047   13.3531790    2.4570209  0.00   -0.0074765   -0.0035228   -0.0024111
 C   -6.0257603   13.3378268    3.7059543  0.00    0.0011322   -0.0000382    0.0009520
 H   -5.5826640   12.7276280    4.4964503  0.00   -0.0008655   -0.0026284    0.0010819
 H   -7.0070076   12.9209186    3.4644468  0.00    0.0073096    0.0019961   -0.0019502
 H   -6.1856024   14.3420512    4.1037168  0.00   -0.0013773    0.0006037   -0.0000564
 C   -5.7824913   14.2428732    1.3878973  0.00    0.0011951    0.0007349   -0.0010756
 H   -5.9181756   15.2680002    1.7394121  0.00   -0.0018123    0.0003162    0.0000268
 H   -6.7678183   13.8535199    1.1184796  0.00    0.0064498   -0.0001979    0.0035294
 H   -5.1716510   14.2739246    0.4823966  0.00   -0.0009664   -0.0012110   -0.0027126
 C   -5.0559170   11.9308560    1.9113244  0.00    0.0012625   -0.0073811   -0.0030515
 H   -4.4638926   11.8795263    0.9944382  0.00   -0.0014126   -0.0028237   -0.0053175
 H   -6.0594848   11.5731515    1.6724128  0.00   -0.0008455    0.0043895    0.0016662
 H   -4.6267707   11.2395149    2.6405809  0.00   -0.0020342   -0.0053526    0.0015888
 C    4.9952319   13.6615553    2.4702902  0.00    0.0074760   -0.0033009   -0.0023689
 C    5.6076798   14.6050725    1.4282650  0.00   -0.0012346    0.0004873   -0.0010375
 H    6.6138693   14.2705096    1.1625792  0.00   -0.0063995   -0.0005895    0.0032312
 H    5.6902485   15.6274506    1.8034540  0.00    0.0018460    0.0002161    0.0000491
 H    5.0060090   14.6261984    0.5163680  0.00    0.0011912   -0.0012829   -0.0028501
 C    5.8653609   13.6703350    3.7328607  0.00   -0.0010315   -0.0002250    0.0009466
 H    5.4468175   13.0180030    4.5027965  0.00    0.0010444   -0.0028012    0.0009863
 H    5.9588730   14.6731657    4.1547167  0.00    0.0013984    0.0007286   -0.0001528
 H    6.8729685   13.3168532    3.4987370  0.00   -0.0070567    0.0014146   -0.0020306
 C    4.9996957   12.2480918    1.8966869  0.00   -0.0005933   -0.0077741   -0.0033834
 H    4.6045991   11.5193860    2.6085034  0.00    0.0026009   -0.0057681    0.0014188
 H    6.0237861   11.9521619    1.6605253  0.00    0.0008462    0.0040738    0.0015492
 H    4.4184715   12.1819429    0.9738470  0.00    0.0018251   -0.0030967   -0.0056403
 C   -3.2081513   17.9958712    4.2665135  0.00   -0.0006141   -0.0070661   -0.0054173
 C   -4.0039784   18.1553902    5.4244878  0.00   -0.0008299   -0.0027435   -0.0007840
 C   -4.9784338   19.1484850    5.4297704  0.00    0.0019404   -0.0016748   -0.0031952
 H   -5.6040432   19.2704774    6.3056656  0.00    0.0010116    0.0058421    0.0097080
 C   -5.1876645   19.9588226    4.3313722  0.00   -0.0131572   -0.0125402   -0.0030535
 H   -5.9689938   20.7093173    4.3498559  0.00    0.0074423    0.0141829    0.0056503
 C   -4.4179884   19.7881655    3.1958888  0.00    0.0034419    0.0007033   -0.0065018
 H   -4.6091578   20.4106840    2.3307261  0.00    0.0057059    0.0100409   -0.0028999
 C   -3.4248166   18.8177714    3.1321943  0.00   -0.0004317   -0.0032136    0.0017235
 C   -2.6804729   18.6272911    1.8261497  0.00    0.0036496    0.0030224    0.0040067
 H   -1.7927803   18.0143373    2.0241939  0.00    0.0028715    0.0005395    0.0050656
 C   -3.5381924   17.8572732    0.8186284  0.00    0.0051928    0.0026128    0.0022583
 H   -3.8342591   16.8805284    1.2019134  0.00    0.0046376    0.0027682   -0.0018031
 H   -2.9843485   17.7051614   -0.1108789  0.00   -0.0028295   -0.0012038   -0.0011690
 H   -4.4453126   18.4194093    0.5807065  0.00    0.0051403    0.0012808    0.0022609
 C   -2.2216742   19.9472322    1.2128850  0.00    0.0026551    0.0040691   -0.0003618
 H   -3.0682530   20.5443591    0.8684889  0.00    0.0014247    0.0022340    0.0005512
 H   -1.5906633   19.7593965    0.3424596  0.00    0.0022399   -0.0021326   -0.0016992
 H   -1.6549482   20.5595330    1.9185964  0.00    0.0006962    0.0014530    0.0030846
 C   -3.8961900   17.2466223    6.6290932  0.00    0.0046574    0.0030406    0.0002165
 H   -3.0160752   16.6149366    6.4932659  0.00    0.0056711    0.0005445   -0.0002541
 C   -5.1091563   16.3194353    6.7265175  0.00    0.0054306    0.0024305    0.0010959
 H   -6.0333094   16.8901029    6.8495772  0.00    0.0055539    0.0012974    0.0002961
 H   -5.0087917   15.6581373    7.5906054  0.00   -0.0046327   -0.0014138   -0.0013691
 H   -5.2107829   15.6953229    5.8379996  0.00    0.0021596    0.0008045    0.0037115
 C   -3.7347054   18.0297431    7.9305004  0.00    0.0024470    0.0017815    0.0019593
 H   -2.9080804   18.7438998    7.8867215  0.00    0.0006496    0.0020823   -0.0009404
 H   -3.5483869   17.3479715    8.7633392  0.00    0.0010655   -0.0031679    0.0020421
 H   -4.6374056   18.5947648    8.1730776  0.00    0.0014412    0.0005730    0.0013435
 C    2.7734559   18.1760450    4.2858596  0.00    0.0008086   -0.0081344   -0.0057756
 C    2.9570699   18.9771066    3.1326382  0.00    0.0009857   -0.0023664    0.0014021
 C    3.8550089   20.0360500    3.1939420  0.00   -0.0041746   -0.0001354   -0.0066447
 H    4.0183527   20.6451707    2.3129365  0.00   -0.0068611    0.0111572   -0.0038385
 C    4.5666269   20.3098299    4.3469996  0.00    0.0145584   -0.0104758   -0.0035133
 H    5.2742800   21.1301117    4.3670043  0.00   -0.0089529    0.0138384    0.0049446
 C    4.4022980   19.5092575    5.4607758  0.00   -0.0011654   -0.0016804   -0.0030899
 H    4.9924818   19.7074021    6.3471988  0.00   -0.0020604    0.0066339    0.0092193
 C    3.5244304   18.4296642    5.4569334  0.00    0.0019996   -0.0028053   -0.0009673
 C    3.4869705   17.5228851    6.6672219  0.00   -0.0049522    0.0023849   -0.0002185
 H    2.6548207   16.8280151    6.5381219  0.00   -0.0061836   -0.0000372   -0.0007325
 C    4.7656273   16.6863341    6.7523190  0.00   -0.0056260    0.0022867    0.0017357
 H    4.9057036   16.0746393    5.8601756  0.00   -0.0022854    0.0008540    0.0045080
 H    4.7211207   16.0164903    7.6144452  0.00    0.0047920   -0.0007593   -0.0008009
 H    5.6458502   17.3238310    6.8696017  0.00   -0.0049745    0.0006582    0.0005617
 C    3.2789943   18.2908026    7.9702323  0.00   -0.0032222    0.0012369    0.0014161
 H    4.1357360   18.9266257    8.2041031  0.00   -0.0023324   -0.0003477    0.0020400
 H    3.1583171   17.5953780    8.8038189  0.00   -0.0016870   -0.0020083    0.0025242
 H    2.3960765   18.9348098    7.9374476  0.00   -0.0000415    0.0034519   -0.0012267
 C    2.2736609   18.6826280    1.8137930  0.00   -0.0042506    0.0034517    0.0033422
 H    1.5533967   17.8740793    1.9751595  0.00   -0.0029009    0.0015422    0.0032360
 C    1.5177684   19.8945965    1.2772033  0.00   -0.0021854    0.0045559   -0.0006104
 H    0.7913327   20.2800035    1.9981775  0.00   -0.0018592    0.0020910    0.0025537
 H    0.9801926   19.6354978    0.3629561  0.00   -0.0012191   -0.0024153   -0.0020464
 H    2.1965350   20.7145295    1.0338268  0.00   -0.0001754    0.0017679    0.0005792
 C    3.2807579   18.1838110    0.7757834  0.00   -0.0055578    0.0005571    0.0019446
 H    4.0278160   18.9503009    0.5538510  0.00   -0.0062635    0.0001358    0.0034322
 H    2.7692074   17.9363527   -0.1572943  0.00    0.0028474   -0.0010178   -0.0015296
 H    3.8036742   17.2915062    1.1224484  0.00   -0.0049940    0.0010906   -0.0010136
 C   -0.1873628   16.9311289    7.1267627  0.00    0.0006471    0.0071348   -0.0091405
 H    0.6695358   17.4655797    7.5743558  0.00    0.0000356   -0.0008517    0.0041479
 H   -1.0903956   17.3940438    7.5627624  0.00    0.0010928   -0.0025883    0.0049590
 C    1.4426951   14.2953732    7.2327674  0.00   -0.0002722    0.0017074    0.0011708
 H    1.5464689   14.2601439    6.1453195  0.00   -0.0016071    0.0016223    0.0000772
 H    1.4313685   13.2631825    7.5958034  0.00   -0.0005834    0.0015409   -0.0000476
 H    2.3408336   14.7669037    7.6394064  0.00   -0.0011216    0.0009004    0.0006572
 C   -0.1227108   15.2066163    9.6765632  0.00   -0.0003100    0.0042367    0.0026659
 H    0.7392632   15.7534513   10.0675745  0.00    0.0031945    0.0031818   -0.0004688
 H   -0.0849787   14.1939716   10.0882408  0.00   -0.0000951   -0.0012468   -0.0030688
 H   -1.0235395   15.6875143   10.0665825  0.00   -0.0036868    0.0028509   -0.0002830
 C   -1.6129023   14.1839002    7.2282711  0.00   -0.0002758    0.0020328    0.0009647
 H   -2.5431492   14.5895885    7.6337918  0.00    0.0000617    0.0003362    0.0003192
 H   -1.5288302   13.1542027    7.5887016  0.00    0.0007302    0.0020735    0.0001790
 H   -1.7113658   14.1446350    6.1404463  0.00    0.0008114    0.0012893   -0.0000706
129
 Energy =   -2867.2885121920
 O   -0.1359660   15.6007593    3.8488847  0.00   -0.0001924    0.0084190    0.0050531
Th   -0.2042823   17.7948250    4.8980905  0.00    0.0006935   -0.0065787    0.0122812
Si   -0.1200848   15.1675500    7.8010199  0.00   -0.0004462    0.0125656   -0.0048353
 N   -2.1834521   16.9999113    4.2183638  0.00    0.0016988   -0.0042990   -0.0036488
 N    1.8229551   17.1100699    4.2445985  0.00   -0.0009590   -0.0053180   -0.0044104
 C   -2.5931662   13.1838912    2.6237379  0.00   -0.0066623   -0.0040327    0.0008027
 H   -2.6601950   12.1866081    2.2163577  0.00    0.0168066   -0.0218715   -0.0090738
 C   -3.7605523   13.9099212    2.8144759  0.00   -0.0060208    0.0100329    0.0037615
 C   -3.6670864   15.2012514    3.3445111  0.00   -0.0031533    0.0082433    0.0016352
 H   -4.5562911   15.8007260    3.4895597  0.00   -0.0127653    0.0135671    0.0047063
 C   -2.4381799   15.7407819    3.6816347  0.00   -0.0048355    0.0004074    0.0011759
 C    2.1546805   15.8750514    3.6960326  0.00    0.0027021    0.0006306    0.0014886
 C    3.4139898   15.4158049    3.3541027  0.00    0.0042586    0.0093941    0.0011722
 H    4.2648193   16.0672404    3.5051027  0.00    0.0116308    0.0141404    0.0048893
 C    3.5864729   14.1343962    2.8197271  0.00    0.0031470    0.0096017    0.0036116
 C    2.4658002   13.3386232    2.6260842  0.00    0.0093854   -0.0018953    0.0017266
 H    2.5943307   12.3483976    2.2162643  0.00   -0.0155907   -0.0229571   -0.0094026
 C   -0.0525895   12.8851119    2.7261271  0.00    0.0004466    0.0026079    0.0002822
 C   -1.3266157   13.6899896    2.9402193  0.00   -0.0074197   -0.0018548   -0.0001391
 C   -1.3080068   14.9533065    3.4706628  0.00    0.0026720    0.0010321    0.0002323
 C    1.0738315   15.0232836    3.4763287  0.00   -0.0020540    0.0036928    0.0004549
 C    1.1700426   13.7654186    2.9420610  0.00    0.0063321   -0.0026508   -0.0006138
 C   -0.0176670   11.7265247    3.7347034  0.00    0.0002122   -0.0058422    0.0031084
 H   -0.0297465   12.0994460    4.7604990  0.00    0.0000690   -0.0015085    0.0031086
 H    0.8858853   11.1290153    3.5999783  0.00    0.0039471   -0.0041154   -0.0032065
 H   -0.8825117   11.0744326    3.5990392  0.00   -0.0037809   -0.0041595   -0.0033971
 C   -0.0348670   12.3300028    1.2973538  0.00    0.0001600   -0.0031712   -0.0054778
 H   -0.8932322   11.6818929    1.1203638  0.00   -0.0032190   -0.0058094   -0.0006360
 H    0.8617212   11.7355447    1.1216727  0.00    0.0034428   -0.0057687   -0.0009537
 H   -0.0590970   13.1392170    0.5656514  0.00    0.0000257   -0.0023665   -0.0081153
 C   -5.1373978   13.3518538    2.4563243  0.00   -0.0024866   -0.0007551   -0.0009225
 C   -6.0259715   13.3373543    3.7055741  0.00    0.0013376    0.0000012    0.0029085
 H   -5.5832333   12.7269607    4.4960162  0.00    0.0008793   -0.0020435    0.0023142
 H   -7.0072866   12.9207282    3.4651161  0.00    0.0032224    0.0000141   -0.0050283
 H   -6.1859687   14.3416858    4.1030884  0.00    0.0006728    0.0002749   -0.0000626
 C   -5.7827854   14.2423302    1.3876816  0.00    0.0015575    0.0017725   -0.0020013
 H   -5.9186368   15.2673383    1.7395510  0.00    0.0000676    0.0001279    0.0000675
 H   -6.7680192   13.8539123    1.1176495  0.00    0.0022006   -0.0033247    0.0037555
 H   -5.1722166   14.2732918    0.4821106  0.00    0.0009903   -0.0000277   -0.0034917
 C   -5.0568644   11.9297942    1.9107513  0.00    0.0006374   -0.0076576   -0.0029929
 H   -4.4653627   11.8784733    0.9937638  0.00    0.0020235   -0.0032064   -0.0070473
 H   -6.0598760   11.5717326    1.6718108  0.00   -0.0079840    0.0036129    0.0005956
 H   -4.6282300   11.2384682    2.6400448  0.00    0.0010241   -0.0068470    0.0029756
 C    4.9961913   13.6601505    2.4695405  0.00    0.0026892   -0.0006088   -0.0009061
 C    5.6080571   14.6044770    1.4280200  0.00   -0.0015994    0.0015814   -0.0019528
 H    6.6141278   14.2709221    1.1616872  0.00   -0.0020911   -0.0035640    0.0035061
 H    5.6907686   15.6267237    1.8036213  0.00   -0.0000274   -0.0001829   -0.0000389
 H    5.0066411   14.6255689    0.5160629  0.00   -0.0007672   -0.0002187   -0.0035498
 C    5.8656453   13.6698322    3.7324594  0.00   -0.0011270   -0.0002545    0.0029120
 H    5.4474492   13.0173748    4.5023699  0.00   -0.0007324   -0.0023553    0.0022083
 H    5.9592607   14.6728275    4.1539928  0.00   -0.0005959    0.0001060   -0.0002139
 H    6.8733073   13.3166227    3.4994648  0.00   -0.0027981   -0.0002709   -0.0051029
 C    5.0008356   12.2469582    1.8960534  0.00   -0.0001955   -0.0079292   -0.0031801
 H    4.6062651   11.5183084    2.6079272  0.00   -0.0004897   -0.0075590    0.0027840
 H    6.0243653   11.9505882    1.6598247  0.00    0.0081446    0.0038901    0.0005485
 H    4.4201050   12.1808591    0.9731361  0.00   -0.0015969   -0.0036694   -0.0074332
 C   -3.2055136   17.9947599    4.2665899  0.00    0.0069830   -0.0127257    0.0007936
 C   -4.0000543   18.1553778    5.4254268  0.00   -0.0064695   -0.0064503   -0.0058483
 C   -4.9748717   19.1480881    5.4302023  0.00    0.0041489   -0.0062017    0.0007043
 H   -5.5992346   19.2703144    6.3068800  0.00   -0.0013204    0.0072529    0.0084116
 C   -5.1852949   19.9568386    4.3312158  0.00   -0.0049816   -0.0010281   -0.0071460
 H   -5.9658077   20.7079080    4.3497573  0.00    0.0030408    0.0145094    0.0053045
 C   -4.4140149   19.7879756    3.1963769  0.00    0.0037195   -0.0042863    0.0033298
 H   -4.6034145   20.4106263    2.3314023  0.00    0.0014683    0.0146843   -0.0063898
 C   -3.4202838   18.8181851    3.1333187  0.00   -0.0082454   -0.0054625   -0.0060158
 C   -2.6764887   18.6287548    1.8267212  0.00    0.0041161    0.0000337    0.0047242
 H   -1.7885207   18.0156281    2.0233083  0.00    0.0039437    0.0012577    0.0060875
 C   -3.5355443   17.8590387    0.8201110  0.00    0.0041303    0.0041451    0.0025852
 H   -3.8321910   16.8829529    1.2045773  0.00    0.0053166    0.0015057   -0.0032438
 H   -2.9838403   17.7062812   -0.1107717  0.00   -0.0032413   -0.0002057    0.0023850
 H   -4.4425220   18.4224556    0.5847897  0.00    0.0042678   -0.0000844   -0.0006676
 C   -2.2193029   19.9493239    1.2138523  0.00    0.0034159    0.0029610   -0.0012795
 H   -3.0666488   20.5452002    0.8693745  0.00    0.0009742    0.0032594    0.0002404
 H   -1.5878411   19.7627620    0.3435711  0.00    0.0024248   -0.0031133   -0.0029646
 H   -1.6534998   20.5622347    1.9196181  0.00    0.0014503    0.0026242    0.0046285
 C   -3.8932728   17.2471641    6.6305768  0.00    0.0063516   -0.0000146   -0.0017014
 H   -3.0135432   16.6146266    6.4958373  0.00    0.0054204    0.0027107   -0.0004600
 C   -5.1071180   16.3209067    6.7268280  0.00    0.0050717    0.0028641    0.0000578
 H   -6.0303321   16.8932873    6.8487307  0.00    0.0041292   -0.0002478    0.0011949
 H   -5.0090386   15.6589472    7.5908861  0.00   -0.0034994    0.0008045   -0.0041176
 H   -5.2086233   15.6979052    5.8373915  0.00    0.0022067    0.0002049    0.0063176
 C   -3.7328835   18.0311178    7.9315918  0.00    0.0031177    0.0002669    0.0025993
 H   -2.9073090   18.7463823    7.8874616  0.00    0.0011110    0.0024566   -0.0008339
 H   -3.5455274   17.3501922    8.7648895  0.00    0.0006830   -0.0036862    0.0014901
 H   -4.6364921   18.5947135    8.1739145  0.00    0.0013234    0.0015374    0.0015186
 C    2.7711602   18.1746576    4.2856511  0.00   -0.0052310   -0.0122540    0.0016795
 C    2.9527246   18.9773860    3.1335601  0.00    0.0079387   -0.0059622   -0.0055560
 C    3.8510904   20.0359115    3.1945189  0.00   -0.0037217   -0.0034765    0.0023875
 H    4.0125248   20.6454723    2.3138434  0.00   -0.0033331    0.0149655   -0.0066357
 C    4.5644082   20.3079624    4.3471274  0.00    0.0050352   -0.0012316   -0.0068248
 H    5.2708413   21.1290064    4.3675880  0.00   -0.0041847    0.0148002    0.0041334
 C    4.3989261   19.5085151    5.4612689  0.00   -0.0039531   -0.0059795   -0.0020256
 H    4.9876751   19.7067202    6.3484966  0.00    0.0006552    0.0083884    0.0085392
 C    3.5207836   18.4291537    5.4575562  0.00    0.0075893   -0.0053923   -0.0058764
 C    3.4840986   17.5232243    6.6684631  0.00   -0.0068060   -0.0011760   -0.0017973
 H    2.6524183   16.8275450    6.5404464  0.00   -0.0060450    0.0019298   -0.0009194
 C    4.7635394   16.6876956    6.7527285  0.00   -0.0050889    0.0023725    0.0006527
 H    4.9034735   16.0769468    5.8597857  0.00   -0.0023815    0.0003152    0.0070849
 H    4.7213138   16.0174066    7.6148341  0.00    0.0033737    0.0015343   -0.0032623
 H    5.6427767   17.3267499    6.8687832  0.00   -0.0037965   -0.0006388    0.0015804
 C    3.2767578   18.2926618    7.9706888  0.00   -0.0036378   -0.0001785    0.0020459
 H    4.1350042   18.9263890    8.2045409  0.00   -0.0024632    0.0006544    0.0027250
 H    3.1534497   17.5986529    8.8051183  0.00   -0.0007485   -0.0024491    0.0011884
 H    2.3955772   18.9389155    7.9362910  0.00   -0.0004468    0.0031773   -0.0006600
 C    2.2696016   18.6839117    1.8142730  0.00   -0.0039202   -0.0002236    0.0042416
 H    1.5488473   17.8753681    1.9743524  0.00   -0.0032897    0.0032265    0.0044740
 C    1.5155602   19.8967797    1.2776022  0.00   -0.0041162    0.0036648   -0.0019596
 H    0.7894605   20.2834643    1.9981365  0.00   -0.0021894    0.0023101    0.0041389
 H    0.9776169   19.6381985    0.3635573  0.00   -0.0018359   -0.0029575   -0.0041359
 H    2.1953027   20.7156510    1.0337106  0.00    0.0007877    0.0027769    0.0008549
 C    3.2778202   18.1849012    0.7774508  0.00   -0.0046198    0.0027943    0.0021378
 H    4.0246913   18.9521697    0.5578382  0.00   -0.0047618   -0.0004828    0.0004999
 H    2.7684594   17.9372908   -0.1569568  0.00    0.0027923   -0.0004816    0.0017309
 H    3.8009236   17.2933355    1.1256535  0.00   -0.0055514   -0.0002902   -0.0025297
 C   -0.1872689   16.9330322    7.1246247  0.00    0.0007791    0.0047786   -0.0032285
 H    0.6697691   17.4678983    7.5720176  0.00   -0.0023373   -0.0033421    0.0020503
 H   -1.0899580   17.3970055    7.5607547  0.00    0.0032603   -0.0048488    0.0029210
 C    1.4419869   14.2969346    7.2330049  0.00    0.0007313   -0.0001137    0.0000334
 H    1.5454276   14.2615624    6.1456630  0.00   -0.0013618    0.0016224   -0.0016462
 H    1.4302924   13.2649714    7.5960330  0.00   -0.0007235   -0.0024433    0.0007508
 H    2.3405105   14.7674703    7.6393555  0.00    0.0008955    0.0034522    0.0018559
 C   -0.1228907   15.2081657    9.6764390  0.00   -0.0002607    0.0028745    0.0049313
 H    0.7390955   15.7541849   10.0680074  0.00    0.0051796    0.0064098   -0.0003853
 H   -0.0851231   14.1957417   10.0882338  0.00    0.0000420   -0.0051982   -0.0036517
 H   -1.0236021   15.6882441   10.0671791  0.00   -0.0059389    0.0059275   -0.0002926
 C   -1.6125791   14.1853024    7.2284953  0.00   -0.0011548    0.0003528   -0.0001783
 H   -2.5432625   14.5898284    7.6336049  0.00   -0.0020056    0.0028795    0.0014981
 H   -1.5281287   13.1558616    7.5889511  0.00    0.0014039   -0.0016911    0.0010488
 H   -1.7106028   14.1458025    6.1407677  0.00    0.0005347    0.0013929   -0.0018371
129
 Energy =   -2867.2885506270
 O   -0.1358919   15.6001703    3.8488078  0.00   -0.0004852   -0.0027444   -0.0004225
Th   -0.2041933   17.7945736    4.8965272  0.00    0.0006297   -0.0028149    0.0077676
Si   -0.1202290   15.1688837    7.8009604  0.00   -0.0006412    0.0149978   -0.0043406
 N   -2.1825094   16.9979958    4.2175993  0.00   -0.0037602   -0.0036168   -0.0015653
 N    1.8222434   17.1080694    4.2436919  0.00    0.0049373   -0.0019228   -0.0010513
 C   -2.5933535   13.1830605    2.6232365  0.00   -0.0105562   -0.0143010   -0.0034908
 H   -2.6594657   12.1852146    2.2157617  0.00    0.0142948   -0.0137814   -0.0061682
 C   -3.7611505   13.9089844    2.8139236  0.00    0.0035617    0.0017291    0.0013859
 C   -3.6668470   15.1999226    3.3439894  0.00   -0.0160081    0.0166943    0.0040881
 H   -4.5560145   15.8002094    3.4894073  0.00   -0.0067526    0.0091506    0.0036110
 C   -2.4380353   15.7390367    3.6810049  0.00    0.0083733   -0.0005830    0.0015525
 C    2.1546533   15.8732857    3.6952910  0.00   -0.0050673    0.0008396    0.0018167
 C    3.4139643   15.4144480    3.3535245  0.00    0.0131525    0.0153000    0.0029862
 H    4.2647290   16.0665156    3.5048580  0.00    0.0069452    0.0105021    0.0040515
 C    3.5870692   14.1333475    2.8191259  0.00   -0.0002466    0.0061083    0.0025770
 C    2.4661622   13.3378625    2.6255916  0.00    0.0076665   -0.0176910   -0.0042420
 H    2.5936589   12.3468891    2.2156468  0.00   -0.0133257   -0.0130185   -0.0058053
 C   -0.0525076   12.8832532    2.7254233  0.00   -0.0001778   -0.0005843   -0.0010734
 C   -1.3266311   13.6883847    2.9396489  0.00    0.0009849    0.0059011    0.0026705
 C   -1.3072844   14.9518852    3.4702291  0.00   -0.0108403    0.0013925    0.0006688
 C    1.0733044   15.0219806    3.4758996  0.00    0.0086429   -0.0044419   -0.0025183
 C    1.1701425   13.7636981    2.9414412  0.00    0.0004260    0.0115083    0.0046496
 C   -0.0176187   11.7249095    3.7346704  0.00    0.0001149   -0.0041021   -0.0008343
 H   -0.0297438   12.0987367    4.7601990  0.00    0.0001294   -0.0025547    0.0022212
 H    0.8858740   11.1272301    3.6001276  0.00    0.0039696   -0.0034708   -0.0025108
 H   -0.8824090   11.0726789    3.5991637  0.00   -0.0038734   -0.0035685   -0.0027136
 C   -0.0348322   12.3284289    1.2962514  0.00    0.0000807   -0.0038041   -0.0028528
 H   -0.8930693   11.6801876    1.1189027  0.00   -0.0034869   -0.0047797   -0.0000305
 H    0.8616091   11.7338084    1.1201812  0.00    0.0037060   -0.0047294   -0.0003906
 H   -0.0590876   13.1379297    0.5647715  0.00    0.0000885   -0.0031879   -0.0068693
 C   -5.1380139   13.3509244    2.4558159  0.00    0.0030271    0.0029671    0.0013758
 C   -6.0259592   13.3370978    3.7055168  0.00   -0.0003875   -0.0021761    0.0002220
 H   -5.5835548   12.7264155    4.4958770  0.00    0.0020356   -0.0012134    0.0028065
 H   -7.0072105   12.9206292    3.4652253  0.00    0.0001945   -0.0011069   -0.0052985
 H   -6.1861869   14.3414815    4.1027103  0.00    0.0022164    0.0006492    0.0003301
 C   -5.7828180   14.2421204    1.3874627  0.00   -0.0001149   -0.0010902   -0.0022992
 H   -5.9189494   15.2669535    1.7396283  0.00    0.0016406    0.0004115    0.0001931
 H   -6.7679623   13.8539618    1.1173842  0.00   -0.0007742   -0.0042217    0.0027511
 H   -5.1725289   14.2728836    0.4817186  0.00    0.0018265    0.0008959   -0.0028397
 C   -5.0573717   11.9287574    1.9102535  0.00   -0.0007942   -0.0049013   -0.0023619
 H   -4.4661847   11.8776167    0.9929213  0.00    0.0017792   -0.0038286   -0.0043134
 H   -6.0605129   11.5711358    1.6715086  0.00   -0.0089716    0.0024984    0.0000409
 H   -4.6291054   11.2374019    2.6398788  0.00    0.0014507   -0.0056293    0.0007622
 C    4.9969282   13.6591803    2.4690008  0.00   -0.0038486    0.0023192    0.0012449
 C    5.6081381   14.6042196    1.4277854  0.00    0.0001281   -0.0013321   -0.0023422
 H    6.6141122   14.2709660    1.1613693  0.00    0.0009338   -0.0043419    0.0025786
 H    5.6911198   15.6262817    1.8037112  0.00   -0.0016014    0.0001734    0.0000915
 H    5.0070097   14.6251506    0.5156553  0.00   -0.0016809    0.0006539   -0.0028542
 C    5.8656893   13.6695369    3.7323902  0.00    0.0005787   -0.0024433    0.0000959
 H    5.4478190   13.0168342    4.5022289  0.00   -0.0018760   -0.0015327    0.0026948
 H    5.9594971   14.6726310    4.1535496  0.00   -0.0021151    0.0003937    0.0002290
 H    6.8732903   13.3164779    3.4996053  0.00    0.0002211   -0.0011661   -0.0053375
 C    5.0014814   12.2458580    1.8955097  0.00    0.0014141   -0.0050894   -0.0025148
 H    4.6073023   11.5171809    2.6077240  0.00   -0.0010028   -0.0062548    0.0005418
 H    6.0251214   11.9499065    1.6594606  0.00    0.0089595    0.0030052    0.0000664
 H    4.4210553   12.1799551    0.9722473  0.00   -0.0013142   -0.0043060   -0.0045599
 C   -3.2037731   17.9933162    4.2665504  0.00   -0.0006626   -0.0038038   -0.0034224
 C   -3.9980556   18.1549850    5.4257124  0.00    0.0013216   -0.0092696   -0.0073449
 C   -4.9727167   19.1476333    5.4303822  0.00   -0.0041746   -0.0035394    0.0041851
 H   -5.5963334   19.2706702    6.3081211  0.00    0.0027659    0.0064745    0.0005922
 C   -5.1842853   19.9553330    4.3306590  0.00   -0.0039498    0.0073606    0.0025969
 H   -5.9635455   20.7080387    4.3500862  0.00    0.0037948    0.0092195    0.0037797
 C   -4.4116541   19.7877260    3.1968486  0.00    0.0004872    0.0026828   -0.0123272
 H   -4.5997737   20.4114787    2.3314676  0.00    0.0020625    0.0077241    0.0047547
 C   -3.4180051   18.8181332    3.1336467  0.00   -0.0017158   -0.0115860    0.0025446
 C   -2.6738383   18.6296765    1.8272908  0.00    0.0038987    0.0001185    0.0012312
 H   -1.7857582   18.0164731    2.0232067  0.00    0.0039801    0.0023404    0.0061227
 C   -3.5336640   17.8603419    0.8211333  0.00    0.0028622    0.0014527    0.0026114
 H   -3.8306129   16.8844916    1.2059735  0.00    0.0053239    0.0013070   -0.0031705
 H   -2.9837319   17.7069131   -0.1106240  0.00   -0.0014916    0.0008781    0.0024859
 H   -4.4405504   18.4242843    0.5872277  0.00    0.0026479    0.0005238   -0.0015054
 C   -2.2176720   19.9507221    1.2143560  0.00    0.0036683    0.0025806    0.0016642
 H   -3.0656166   20.5459098    0.8699149  0.00    0.0023693    0.0020804    0.0004308
 H   -1.5860388   19.7645579    0.3440989  0.00    0.0021205   -0.0023564   -0.0022120
 H   -1.6525399   20.5639956    1.9205006  0.00    0.0006855    0.0019498    0.0023262
 C   -3.8911266   17.2474918    6.6314070  0.00    0.0019678    0.0001675    0.0007155
 H   -3.0116765   16.6146100    6.4973245  0.00    0.0072914    0.0023354   -0.0007762
 C   -5.1055579   16.3219364    6.7270419  0.00    0.0036198    0.0028235    0.0007423
 H   -6.0282522   16.8952013    6.8482949  0.00    0.0031903    0.0004285    0.0011509
 H   -5.0094382   15.6594318    7.5908436  0.00   -0.0016242    0.0009727   -0.0030565
 H   -5.2071864   15.6994584    5.8374060  0.00    0.0023084   -0.0013051    0.0041845
 C   -3.7315930   18.0319345    7.9324148  0.00    0.0020633    0.0002776    0.0000359
 H   -2.9067735   18.7480048    7.8878540  0.00    0.0014501    0.0024842    0.0001760
 H   -3.5437927   17.3512968    8.7658674  0.00    0.0012030   -0.0032250    0.0012704
 H   -4.6358537   18.5947702    8.1745169  0.00    0.0025004    0.0004838    0.0010697
 C    2.7697533   18.1731058    4.2855091  0.00   -0.0004644   -0.0056008   -0.0041343
 C    2.9505111   18.9772072    3.1337732  0.00    0.0046136   -0.0086991    0.0029199
 C    3.8487785   20.0357832    3.1949959  0.00   -0.0030689    0.0003921   -0.0127225
 H    4.0087166   20.6465621    2.3140208  0.00   -0.0037722    0.0084308    0.0042081
 C    4.5635063   20.3065077    4.3467510  0.00    0.0042373    0.0104663    0.0005046
 H    5.2683595   21.1293301    4.3682421  0.00   -0.0054017    0.0082088    0.0026003
 C    4.3968904   19.5078877    5.4613330  0.00    0.0048461   -0.0039601    0.0058218
 H    4.9847354   19.7068362    6.3497926  0.00   -0.0043259    0.0066376   -0.0013662
 C    3.5190006   18.4285089    5.4576162  0.00    0.0011265   -0.0085984   -0.0057671
 C    3.4819512   17.5233648    6.6691403  0.00   -0.0017171   -0.0000095    0.0008242
 H    2.6505903   16.8273874    6.5417545  0.00   -0.0080030    0.0011166   -0.0013589
 C    4.7619519   16.6886313    6.7530434  0.00   -0.0038466    0.0026346    0.0016066
 H    4.9019845   16.0783422    5.8599864  0.00   -0.0023120   -0.0016001    0.0045580
 H    4.7216793   16.0180008    7.6149116  0.00    0.0014270    0.0015949   -0.0020125
 H    5.6406647   17.3284719    6.8683900  0.00   -0.0032896    0.0002392    0.0016032
 C    3.2751844   18.2937340    7.9711068  0.00   -0.0023139    0.0002054   -0.0005398
 H    4.1343997   18.9262740    8.2049787  0.00   -0.0031007   -0.0004473    0.0024135
 H    3.1505091   17.6004597    8.8059472  0.00   -0.0015309   -0.0024579    0.0008323
 H    2.3952453   18.9415534    7.9355729  0.00   -0.0011392    0.0031460    0.0002182
 C    2.2669172   18.6846940    1.8147587  0.00   -0.0035181    0.0008491    0.0002671
 H    1.5459358   17.8763275    1.9741748  0.00   -0.0047700    0.0031653    0.0050932
 C    1.5139904   19.8982822    1.2777359  0.00   -0.0036585    0.0024546    0.0006094
 H    0.7882072   20.2856654    1.9983464  0.00   -0.0009880    0.0020649    0.0019810
 H    0.9760177   19.6396102    0.3637276  0.00   -0.0018644   -0.0018595   -0.0036166
 H    2.1946047   20.7165037    1.0336884  0.00   -0.0005275    0.0010979    0.0010200
 C    3.2757293   18.1857013    0.7785642  0.00   -0.0030818    0.0003364    0.0022210
 H    4.0224760   18.9532567    0.5603003  0.00   -0.0026047    0.0007965   -0.0007355
 H    2.7681923   17.9377999   -0.1567104  0.00    0.0010062    0.0000666    0.0020765
 H    3.7989298   17.2944035    1.1274180  0.00   -0.0058870   -0.0001032   -0.0026175
 C   -0.1871596   16.9344951    7.1230648  0.00    0.0004323   -0.0012176    0.0050825
 H    0.6698078   17.4690898    7.5708449  0.00   -0.0013370   -0.0027425    0.0017470
 H   -1.0895300   17.3984552    7.5598350  0.00    0.0024459   -0.0041474    0.0024019
 C    1.4415847   14.2978762    7.2331479  0.00    0.0008107    0.0001323    0.0007716
 H    1.5447096   14.2625170    6.1458315  0.00   -0.0007135    0.0014019   -0.0028346
 H    1.4296107   13.2659813    7.5961962  0.00   -0.0010625   -0.0033579    0.0008426
 H    2.3403318   14.7679842    7.6394278  0.00    0.0013533    0.0038914    0.0017136
 C   -0.1230160   15.2092856    9.6766493  0.00   -0.0003260    0.0036816    0.0028982
 H    0.7392763   15.7549716   10.0682282  0.00    0.0033414    0.0063741   -0.0002213
 H   -0.0852126   14.1965983   10.0879592  0.00    0.0000246   -0.0044836   -0.0043920
 H   -1.0239663   15.6890013   10.0675050  0.00   -0.0040800    0.0060332   -0.0001926
 C   -1.6124373   14.1861831    7.2286165  0.00   -0.0012507    0.0006940    0.0004340
 H   -2.5434199   14.5901096    7.6335715  0.00   -0.0023425    0.0034210    0.0013469
 H   -1.5276349   13.1568436    7.5891454  0.00    0.0019554   -0.0024325    0.0011754
 H   -1.7101088   14.1465902    6.1409085  0.00   -0.0000074    0.0012219   -0.0028825
129
 Energy =   -2867.2885982470
 O   -0.1357552   15.5981431    3.8483234  0.00    0.0006550   -0.0170624   -0.0076330
Th   -0.2039632   17.7938840    4.8937505  0.00    0.0001474   -0.0033646    0.0019860
Si   -0.1205671   15.1723062    7.8007422  0.00   -0.0005013    0.0098741   -0.0008365
 N   -2.1806658   16.9940458    4.2161687  0.00   -0.0050988   -0.0016676    0.0012854
 N    1.8209578   17.1040686    4.2420604  0.00    0.0071187   -0.0021936    0.0011770
 C   -2.5942439   13.1799737    2.6217900  0.00    0.0046654    0.0017275    0.0041906
 H   -2.6576582   12.1818203    2.2142464  0.00    0.0057297   -0.0100724   -0.0052842
 C   -3.7620468   13.9070112    2.8128211  0.00    0.0111591   -0.0064857   -0.0006935
 C   -3.6673691   15.1981320    3.3431249  0.00   -0.0021064    0.0050163    0.0011053
 H   -4.5557854   15.7993850    3.4891840  0.00   -0.0059430    0.0080141    0.0030108
 C   -2.4372628   15.7351924    3.6796738  0.00   -0.0063748    0.0165869    0.0063489
 C    2.1544475   15.8694528    3.6937307  0.00    0.0000725    0.0152558    0.0064135
 C    3.4146679   15.4124734    3.3524763  0.00    0.0061154    0.0089386    0.0017108
 H    4.2649261   16.0653598    3.5044718  0.00    0.0036872    0.0079997    0.0031713
 C    3.5882724   14.1314371    2.8179978  0.00   -0.0135210   -0.0123809   -0.0028146
 C    2.4671625   13.3346283    2.6240933  0.00   -0.0011462    0.0045054    0.0053372
 H    2.5920198   12.3433287    2.2141096  0.00   -0.0051008   -0.0109625   -0.0056757
 C   -0.0523686   12.8793126    2.7239052  0.00    0.0002215    0.0060449    0.0004807
 C   -1.3266273   13.6852818    2.9385248  0.00   -0.0044253    0.0016527   -0.0003754
 C   -1.3065980   14.9490263    3.4693335  0.00   -0.0103858   -0.0131121   -0.0041243
 C    1.0728684   15.0189007    3.4747869  0.00    0.0134402   -0.0060475   -0.0024408
 C    1.1704639   13.7607544    2.9403550  0.00    0.0027562   -0.0024446   -0.0023298
 C   -0.0175212   11.7214526    3.7344331  0.00    0.0001893   -0.0006580   -0.0044534
 H   -0.0297303   12.0971411    4.7596398  0.00    0.0002601   -0.0062306   -0.0028690
 H    0.8860665   11.1234691    3.6003718  0.00    0.0018128   -0.0013223   -0.0014208
 H   -0.8824121   11.0689670    3.5993513  0.00   -0.0019067   -0.0013800   -0.0016039
 C   -0.0347591   12.3249957    1.2939516  0.00    0.0002303   -0.0029652    0.0007656
 H   -0.8929565   11.6765702    1.1159653  0.00   -0.0021314   -0.0023616    0.0013460
 H    0.8616061   11.7301377    1.1171688  0.00    0.0022136   -0.0023786    0.0009475
 H   -0.0590631   13.1351853    0.5627950  0.00    0.0002331   -0.0068256   -0.0031524
 C   -5.1390409   13.3491618    2.4548630  0.00    0.0109898    0.0057680    0.0032966
 C   -6.0260135   13.3363830    3.7053419  0.00   -0.0027554   -0.0033319   -0.0031306
 H   -5.5840612   12.7253243    4.4957321  0.00    0.0028918    0.0007697    0.0020275
 H   -7.0072280   12.9203125    3.4651876  0.00   -0.0040808   -0.0028710   -0.0051438
 H   -6.1864435   14.3410943    4.1019729  0.00    0.0046198   -0.0015879    0.0001043
 C   -5.7829428   14.2415437    1.3868802  0.00   -0.0028958   -0.0039453   -0.0007821
 H   -5.9194174   15.2661959    1.7397954  0.00    0.0040951   -0.0014167   -0.0008969
 H   -6.7680509   13.8538209    1.1169139  0.00   -0.0047534   -0.0053084    0.0008608
 H   -5.1730319   14.2721603    0.4808430  0.00    0.0024574    0.0019817   -0.0011851
 C   -5.0585431   11.9265462    1.9091627  0.00   -0.0034259    0.0000426   -0.0004331
 H   -4.4677305   11.8757013    0.9911439  0.00   -0.0005884   -0.0048963    0.0022605
 H   -6.0622851   11.5699366    1.6708476  0.00   -0.0066721    0.0014403   -0.0002476
 H   -4.6307485   11.2350588    2.6394948  0.00    0.0003552   -0.0017709   -0.0052602
 C    4.9981486   13.6572892    2.4679719  0.00   -0.0108827    0.0055454    0.0033320
 C    5.6083674   14.6035331    1.4271660  0.00    0.0032231   -0.0040553   -0.0008934
 H    6.6142930   14.2708153    1.1607908  0.00    0.0050320   -0.0053457    0.0008185
 H    5.6916692   15.6253986    1.8039005  0.00   -0.0039921   -0.0017999   -0.0011066
 H    5.0076281   14.6243952    0.5147512  0.00   -0.0025092    0.0016469   -0.0012296
 C    5.8658682   13.6687303    3.7321819  0.00    0.0031173   -0.0034106   -0.0034870
 H    5.4484275   13.0157404    4.5020778  0.00   -0.0027717    0.0004100    0.0020093
 H    5.9597962   14.6722428    4.1526752  0.00   -0.0043460   -0.0022282   -0.0000964
 H    6.8734480   13.3160786    3.4996339  0.00    0.0043434   -0.0026322   -0.0051669
 C    5.0029650   12.2435127    1.8943217  0.00    0.0029773    0.0000611   -0.0003282
 H    4.6092864   11.5146905    2.6072569  0.00   -0.0000643   -0.0020679   -0.0055532
 H    6.0271354   11.9485726    1.6586793  0.00    0.0066535    0.0021411   -0.0001097
 H    4.4228812   12.1779226    0.9703737  0.00    0.0011372   -0.0053571    0.0022649
 C   -3.2001877   17.9903538    4.2663805  0.00   -0.0072425    0.0072618   -0.0059183
 C   -3.9934907   18.1537899    5.4259780  0.00   -0.0058772   -0.0028564    0.0001850
 C   -4.9684364   19.1467856    5.4311659  0.00   -0.0009215   -0.0043115   -0.0096015
 H   -5.5901118   19.2715124    6.3102971  0.00    0.0038197    0.0051792   -0.0042204
 C   -5.1818088   19.9529056    4.3299531  0.00    0.0084527    0.0169872    0.0127140
 H   -5.9589092   20.7082232    4.3507309  0.00    0.0037343    0.0021796    0.0016992
 C   -4.4066613   19.7876567    3.1971350  0.00   -0.0009665   -0.0060213   -0.0050404
 H   -4.5922564   20.4131725    2.3321641  0.00    0.0008788    0.0043021    0.0095809
 C   -3.4129861   18.8174653    3.1346177  0.00   -0.0055829   -0.0033208    0.0015319
 C   -2.6681023   18.6315715    1.8284212  0.00    0.0005852   -0.0008663   -0.0024102
 H   -1.7797208   18.0183469    2.0230959  0.00    0.0049225    0.0034173    0.0054991
 C   -3.5297322   17.8630800    0.8234414  0.00    0.0001128   -0.0015691    0.0000502
 H   -3.8271572   16.8877192    1.2087692  0.00    0.0046039   -0.0011041   -0.0017513
 H   -2.9834935   17.7083721   -0.1100625  0.00    0.0034622    0.0028241    0.0013219
 H   -4.4364815   18.4281191    0.5921456  0.00    0.0008118    0.0008594   -0.0022781
 C   -2.2141405   19.9537084    1.2154874  0.00    0.0042709    0.0000199    0.0063886
 H   -3.0632937   20.5474055    0.8711043  0.00    0.0043299    0.0004642    0.0005394
 H   -1.5821757   19.7683296    0.3451504  0.00    0.0011172   -0.0007209    0.0004682
 H   -1.6505262   20.5678013    1.9224279  0.00    0.0003427    0.0007860   -0.0016858
 C   -3.8866931   17.2481491    6.6332403  0.00    0.0002369   -0.0018013   -0.0006819
 H   -3.0074537   16.6145959    6.5004560  0.00    0.0063685    0.0033750   -0.0002896
 C   -5.1022583   16.3243039    6.7274649  0.00    0.0000490   -0.0014274    0.0011211
 H   -6.0239316   16.8991826    6.8474338  0.00    0.0009111    0.0020732    0.0011143
 H   -5.0101679   15.6605888    7.5906025  0.00    0.0025829    0.0013702    0.0000700
 H   -5.2041282   15.7025793    5.8375223  0.00    0.0025657   -0.0027962    0.0011746
 C   -3.7288518   18.0336552    7.9340588  0.00    0.0017434   -0.0002364   -0.0023727
 H   -2.9056187   18.7515349    7.8886966  0.00    0.0017503    0.0012888    0.0021024
 H   -3.5400711   17.3535461    8.7679653  0.00    0.0015455   -0.0006869   -0.0014060
 H   -4.6343752   18.5948866    8.1757758  0.00    0.0042685   -0.0009574    0.0004470
 C    2.7667366   18.1697649    4.2850508  0.00    0.0079692    0.0092357   -0.0058646
 C    2.9458395   18.9764751    3.1345293  0.00    0.0042366   -0.0041955    0.0018838
 C    3.8436675   20.0357716    3.1952826  0.00    0.0036218   -0.0030965   -0.0031932
 H    4.0008038   20.6487703    2.3149520  0.00   -0.0032830    0.0039630    0.0092558
 C    4.5612654   20.3043860    4.3462852  0.00   -0.0132663    0.0137524    0.0114915
 H    5.2632050   21.1298582    4.3695456  0.00   -0.0032803    0.0027549   -0.0000735
 C    4.3928874   19.5066376    5.4620883  0.00    0.0027410   -0.0022257   -0.0118474
 H    4.9783656   19.7071314    6.3519430  0.00   -0.0044606    0.0051345   -0.0054557
 C    3.5149959   18.4267794    5.4575288  0.00    0.0053006   -0.0029619    0.0007657
 C    3.4775590   17.5236576    6.6706596  0.00   -0.0000935   -0.0017801   -0.0000457
 H    2.6464225   16.8270093    6.5444963  0.00   -0.0061462    0.0027560   -0.0008559
 C    4.7585654   16.6907980    6.7537158  0.00    0.0000019   -0.0015690    0.0015300
 H    4.8988220   16.0811097    5.8604764  0.00   -0.0024040   -0.0033821    0.0015913
 H    4.7223164   16.0193980    7.6149671  0.00   -0.0029096    0.0016402    0.0015328
 H    5.6362452   17.3320729    6.8676352  0.00   -0.0017179    0.0022987    0.0017615
 C    3.2718677   18.2960154    7.9718567  0.00   -0.0018896    0.0001824   -0.0020596
 H    4.1329934   18.9260069    8.2059519  0.00   -0.0037297   -0.0015440    0.0018658
 H    3.1442346   17.6041982    8.8076772  0.00   -0.0021926   -0.0009317   -0.0021932
 H    2.3945176   18.9472390    7.9340474  0.00   -0.0019376    0.0014476    0.0021091
 C    2.2611546   18.6863744    1.8156640  0.00   -0.0000167    0.0003994   -0.0031719
 H    1.5395520   17.8784378    1.9739362  0.00   -0.0072888    0.0028255    0.0053687
 C    1.5106239   19.9014640    1.2779887  0.00   -0.0043819   -0.0013811    0.0055672
 H    0.7855576   20.2903927    1.9988726  0.00    0.0011221    0.0010317   -0.0025570
 H    0.9725350   19.6426156    0.3639428  0.00   -0.0012410    0.0007075   -0.0011505
 H    2.1930604   20.7182125    1.0337196  0.00   -0.0022561   -0.0003910    0.0007580
 C    3.2713616   18.1873764    0.7810534  0.00    0.0000102   -0.0007984   -0.0003478
 H    4.0179516   18.9556022    0.5652624  0.00   -0.0001526    0.0013243   -0.0022838
 H    2.7675786   17.9389455   -0.1559422  0.00   -0.0037336    0.0008725    0.0015483
 H    3.7945624   17.2966297    1.1309938  0.00   -0.0050586   -0.0017473   -0.0015743
 C   -0.1869564   16.9372836    7.1203568  0.00    0.0005527   -0.0083365    0.0154241
 H    0.6699141   17.4715751    7.5682286  0.00    0.0012436   -0.0012338    0.0018375
 H   -1.0886270   17.4015014    7.5577513  0.00   -0.0008313   -0.0022724    0.0023508
 C    1.4408300   14.2999351    7.2333851  0.00   -0.0000897   -0.0016913    0.0033191
 H    1.5432586   14.2645204    6.1460549  0.00    0.0007574    0.0010721   -0.0035039
 H    1.4280703   13.2678765    7.5965878  0.00   -0.0015703    0.0000420   -0.0004225
 H    2.3400370   14.7692450    7.6396104  0.00    0.0012382    0.0037626    0.0007607
 C   -0.1232932   15.2118490    9.6771971  0.00   -0.0001901    0.0009923   -0.0014732
 H    0.7396849   15.7569076   10.0686888  0.00   -0.0010457    0.0054937    0.0002385
 H   -0.0853941   14.1981272   10.0871628  0.00   -0.0002413    0.0025664   -0.0070503
 H   -1.0247887   15.6908717   10.0681809  0.00    0.0002854    0.0055417    0.0001690
 C   -1.6122422   14.1881222    7.2287919  0.00   -0.0001024   -0.0009974    0.0031571
 H   -2.5438468   14.5908838    7.6335245  0.00   -0.0019907    0.0036363    0.0004403
 H   -1.5264464   13.1587166    7.5896147  0.00    0.0024385    0.0012491   -0.0000562
 H   -1.7091345   14.1482445    6.1410788  0.00   -0.0013352    0.0009842   -0.0036535
129
 Energy =   -2867.2886179060
 O   -0.1356730   15.5966625    3.8478408  0.00    0.0006706   -0.0193548   -0.0088893
Th   -0.2038559   17.7933751    4.8926604  0.00    0.0006778   -0.0056959    0.0000374
Si   -0.1207310   15.1741007    7.8006233  0.00   -0.0000842    0.0013281    0.0022275
 N   -2.1799555   16.9924425    4.2156540  0.00   -0.0064629    0.0042474    0.0031938
 N    1.8205619   17.1024013    4.2414520  0.00    0.0059587    0.0052932    0.0041199
 C   -2.5942849   13.1786300    2.6213105  0.00   -0.0019058   -0.0044009    0.0002451
 H   -2.6567834   12.1799373    2.2133715  0.00    0.0029201   -0.0001801   -0.0012015
 C   -3.7620534   13.9060680    2.8123752  0.00    0.0125824   -0.0056980   -0.0000139
 C   -3.6673772   15.1975358    3.3428055  0.00   -0.0094982    0.0012481   -0.0007521
 H   -4.5559592   15.7992757    3.4891727  0.00   -0.0000981    0.0027939    0.0012814
 C   -2.4373389   15.7341076    3.6793131  0.00    0.0039995    0.0083079    0.0040003
 C    2.1544645   15.8682874    3.6932729  0.00    0.0035756    0.0118976    0.0043275
 C    3.4149472   15.4119812    3.3521135  0.00    0.0041129   -0.0038313   -0.0025959
 H    4.2651833   16.0650959    3.5043931  0.00    0.0014881    0.0053235    0.0020813
 C    3.5882549   14.1302211    2.8174363  0.00   -0.0068547    0.0010610    0.0020859
 C    2.4674542   13.3333783    2.6236518  0.00   -0.0031765   -0.0098780   -0.0013303
 H    2.5912432   12.3413212    2.2132008  0.00   -0.0026361    0.0012695   -0.0006450
 C   -0.0522952   12.8779150    2.7233053  0.00   -0.0006341    0.0021902   -0.0016821
 C   -1.3269026   13.6839722    2.9379854  0.00    0.0060086   -0.0041118   -0.0017503
 C   -1.3065826   14.9473076    3.4687847  0.00   -0.0138867    0.0005721    0.0008350
 C    1.0731277   15.0174616    3.4742474  0.00    0.0091934   -0.0077716   -0.0027775
 C    1.1707863   13.7592796    2.9397273  0.00   -0.0031250    0.0020583    0.0003335
 C   -0.0174719   11.7199274    3.7341773  0.00   -0.0001330    0.0012572   -0.0058137
 H   -0.0297146   12.0962194    4.7592519  0.00    0.0003095   -0.0072377   -0.0038962
 H    0.8862162   11.1218145    3.6004376  0.00    0.0002580   -0.0000174   -0.0015222
 H   -0.8824850   11.0673287    3.5993870  0.00   -0.0002518    0.0001377   -0.0016667
 C   -0.0347166   12.3233877    1.2929593  0.00   -0.0000824   -0.0013857    0.0038106
 H   -0.8929943   11.6749465    1.1147603  0.00   -0.0008139   -0.0012439    0.0022385
 H    0.8616917   11.7284929    1.1159187  0.00    0.0009907   -0.0013946    0.0018374
 H   -0.0590436   13.1337542    0.5618840  0.00    0.0002925   -0.0077248   -0.0023314
 C   -5.1391025   13.3485909    2.4545629  0.00    0.0078828    0.0014270    0.0012682
 C   -6.0261629   13.3359367    3.7051485  0.00   -0.0002266   -0.0022039   -0.0021212
 H   -5.5841661   12.7249027    4.4957339  0.00    0.0017810    0.0019118    0.0001785
 H   -7.0074194   12.9200592    3.4649888  0.00   -0.0044108   -0.0031811   -0.0050814
 H   -6.1863653   14.3408571    4.1016537  0.00    0.0047012   -0.0032907   -0.0003059
 C   -5.7831272   14.2411361    1.3865927  0.00   -0.0004227   -0.0027968   -0.0002534
 H   -5.9194480   15.2658064    1.7398341  0.00    0.0042207   -0.0028190   -0.0017469
 H   -6.7682930   13.8535625    1.1167269  0.00   -0.0049035   -0.0055231    0.0006603
 H   -5.1731507   14.2719306    0.4804417  0.00    0.0010596    0.0017739    0.0006238
 C   -5.0592053   11.9255946    1.9086766  0.00   -0.0029385    0.0032512    0.0008262
 H   -4.4684121   11.8747087    0.9905010  0.00   -0.0018595   -0.0050708    0.0040036
 H   -6.0632931   11.5694481    1.6705433  0.00   -0.0044580    0.0019397    0.0001392
 H   -4.6314321   11.2340199    2.6391160  0.00   -0.0005425   -0.0007111   -0.0068351
 C    4.9983087   13.6566665    2.4676431  0.00   -0.0084637   -0.0003675    0.0006841
 C    5.6086122   14.6030748    1.4268597  0.00    0.0004353   -0.0028011   -0.0004091
 H    6.6145853   14.2705525    1.1605575  0.00    0.0052961   -0.0056583    0.0006477
 H    5.6917389   15.6249398    1.8039411  0.00   -0.0040246   -0.0031858   -0.0020397
 H    5.0077929   14.6241391    0.5143364  0.00   -0.0011181    0.0014482    0.0006354
 C    5.8660860   13.6682434    3.7319610  0.00    0.0002429   -0.0022720   -0.0022666
 H    5.4485794   13.0153047    4.5020780  0.00   -0.0016562    0.0016946    0.0001294
 H    5.9597466   14.6719790    4.1522894  0.00   -0.0042749   -0.0040015   -0.0005149
 H    6.8737094   13.3158005    3.4994635  0.00    0.0046962   -0.0029608   -0.0051942
 C    5.0037393   12.2425045    1.8937986  0.00    0.0033150    0.0034777    0.0009871
 H    4.6101248   11.5135790    2.6068329  0.00    0.0006883   -0.0009274   -0.0070040
 H    6.0282493   11.9480534    1.6583292  0.00    0.0041229    0.0025440    0.0003399
 H    4.4237025   12.1768636    0.9696921  0.00    0.0022541   -0.0054596    0.0039178
 C   -3.1988289   17.9892697    4.2661938  0.00   -0.0097916    0.0088832   -0.0020336
 C   -3.9918784   18.1532192    5.4260922  0.00    0.0002730   -0.0050895   -0.0017032
 C   -4.9664807   19.1462319    5.4311329  0.00   -0.0078300    0.0021778   -0.0037927
 H   -5.5873219   19.2720334    6.3110710  0.00    0.0057974    0.0036196   -0.0086329
 C   -5.1802079   19.9525358    4.3300844  0.00    0.0142633    0.0148222    0.0081017
 H   -5.9568849   20.7083280    4.3510301  0.00    0.0040351    0.0013165    0.0018365
 C   -4.4044866   19.7873204    3.1973039  0.00   -0.0083397    0.0016029   -0.0010744
 H   -4.5890184   20.4140516    2.3327577  0.00    0.0007994    0.0015000    0.0116869
 C   -3.4111364   18.8171357    3.1349458  0.00   -0.0002898   -0.0044997   -0.0004184
 C   -2.6656452   18.6323304    1.8288378  0.00   -0.0002484   -0.0011302   -0.0011564
 H   -1.7769050   18.0192751    2.0232148  0.00    0.0031464    0.0042371    0.0047833
 C   -3.5280557   17.8642026    0.8244317  0.00    0.0003144   -0.0012487   -0.0022930
 H   -3.8255124   16.8890567    1.2099382  0.00    0.0037442   -0.0028111   -0.0009728
 H   -2.9832346   17.7091253   -0.1097551  0.00    0.0051116    0.0032749    0.0005739
 H   -4.4347166   18.4298105    0.5941831  0.00    0.0005074    0.0003424   -0.0023005
 C   -2.2124949   19.9549870    1.2161812  0.00    0.0028151   -0.0023507    0.0034331
 H   -3.0621187   20.5480450    0.8716435  0.00    0.0051113   -0.0002638    0.0009254
 H   -1.5804594   19.7699642    0.3456367  0.00    0.0002254    0.0001125    0.0029028
 H   -1.6496177   20.5694889    1.9231967  0.00    0.0016277    0.0012686   -0.0010726
 C   -3.8847710   17.2483349    6.6339726  0.00   -0.0013623   -0.0009076   -0.0007977
 H   -3.0054222   16.6147156    6.5018160  0.00    0.0049939    0.0037246   -0.0006425
 C   -5.1008722   16.3252748    6.7276751  0.00   -0.0003929   -0.0028488    0.0005850
 H   -6.0220516   16.9009776    6.8470982  0.00    0.0002454    0.0022683    0.0009824
 H   -5.0103478   15.6611559    7.5905115  0.00    0.0039596    0.0008073    0.0022019
 H   -5.2027123   15.7038296    5.8375940  0.00    0.0022358   -0.0032546    0.0002576
 C   -3.7276157   18.0344062    7.9346783  0.00    0.0026857   -0.0015921   -0.0026796
 H   -2.9050583   18.7530862    7.8891564  0.00    0.0018177    0.0005781    0.0023590
 H   -3.5383933   17.3545229    8.7688186  0.00    0.0016248    0.0005505   -0.0029546
 H   -4.6335808   18.5948915    8.1763298  0.00    0.0036830   -0.0008472    0.0002209
 C    2.7656707   18.1686215    4.2847415  0.00    0.0090770    0.0081976   -0.0014055
 C    2.9440644   18.9760488    3.1347968  0.00    0.0022409   -0.0010393   -0.0013314
 C    3.8415617   20.0355975    3.1955088  0.00    0.0054558    0.0003089   -0.0005573
 H    3.9973090   20.6498479    2.3156471  0.00   -0.0027590    0.0017729    0.0108505
 C    4.5595741   20.3039760    4.3465020  0.00   -0.0141614    0.0170324    0.0055779
 H    5.2609838   21.1301492    4.3700707  0.00   -0.0051764   -0.0001902   -0.0000597
 C    4.3911333   19.5060068    5.4619257  0.00    0.0056604   -0.0005641   -0.0022420
 H    4.9754950   19.7074118    6.3526699  0.00   -0.0058537    0.0036349   -0.0101661
 C    3.5135720   18.4259661    5.4575148  0.00    0.0019598   -0.0024269   -0.0015249
 C    3.4756616   17.5236878    6.6712804  0.00    0.0013111   -0.0007244   -0.0002310
 H    2.6444298   16.8269543    6.5456696  0.00   -0.0045657    0.0033261   -0.0010447
 C    4.7571413   16.6916729    6.7540434  0.00    0.0005283   -0.0029340    0.0011112
 H    4.8973671   16.0821844    5.8607228  0.00   -0.0020358   -0.0039364    0.0007422
 H    4.7224422   16.0200746    7.6150570  0.00   -0.0042657    0.0010370    0.0035823
 H    5.6342897   17.3337174    6.8673696  0.00   -0.0012353    0.0025867    0.0016622
 C    3.2703797   18.2970278    7.9721032  0.00   -0.0025182   -0.0010764   -0.0021391
 H    4.1322603   18.9258311    8.2064307  0.00   -0.0029682   -0.0012856    0.0015846
 H    3.1414241   17.6058071    8.8083343  0.00   -0.0024328   -0.0001823   -0.0036284
 H    2.3941319   18.9497214    7.9334823  0.00   -0.0021369    0.0005911    0.0023710
 C    2.2587048   18.6870990    1.8159613  0.00   -0.0002298   -0.0018977   -0.0014913
 H    1.5365043   17.8794365    1.9740111  0.00   -0.0056632    0.0040712    0.0046246
 C    1.5090578   19.9027780    1.2782595  0.00   -0.0020918   -0.0025487    0.0025924
 H    0.7844280   20.2924853    1.9990155  0.00    0.0000181    0.0010758   -0.0020409
 H    0.9709711   19.6439701    0.3640011  0.00   -0.0003632    0.0018720    0.0015291
 H    2.1922878   20.7189087    1.0337648  0.00   -0.0032821   -0.0013419    0.0009158
 C    3.2695094   18.1880809    0.7821076  0.00   -0.0000777   -0.0001488   -0.0024860
 H    4.0160206   18.9566685    0.5673098  0.00    0.0003760    0.0006429   -0.0026571
 H    2.7671453   17.9394859   -0.1555341  0.00   -0.0052867    0.0011332    0.0009514
 H    3.7925057   17.2975218    1.1325025  0.00   -0.0039494   -0.0029595   -0.0009214
 C   -0.1868535   16.9382436    7.1196994  0.00    0.0003462   -0.0069895    0.0145115
 H    0.6700106   17.4726106    7.5671397  0.00    0.0027087   -0.0002720    0.0026995
 H   -1.0882796   17.4027552    7.5569088  0.00   -0.0025438   -0.0011913    0.0030865
 C    1.4405238   14.3007833    7.2335797  0.00   -0.0004426   -0.0001415    0.0012137
 H    1.5426616   14.2654233    6.1460403  0.00    0.0011335    0.0008836   -0.0007001
 H    1.4273416   13.2686690    7.5967539  0.00   -0.0016597    0.0011611   -0.0005762
 H    2.3399510   14.7699224    7.6397101  0.00    0.0004793    0.0027942    0.0001421
 C   -0.1234194   15.2130020    9.6773689  0.00   -0.0002657    0.0022639   -0.0027958
 H    0.7397948   15.7579311   10.0688984  0.00   -0.0031820    0.0043526    0.0001270
 H   -0.0854803   14.1988617   10.0865917  0.00   -0.0003190    0.0045848   -0.0074007
 H   -1.0251047   15.6918717   10.0684805  0.00    0.0025012    0.0045699    0.0000138
 C   -1.6121830   14.1889378    7.2289555  0.00    0.0001423    0.0006525    0.0010184
 H   -2.5440967   14.5913508    7.6335153  0.00   -0.0010872    0.0028839   -0.0001256
 H   -1.5258383   13.1595429    7.5898259  0.00    0.0024951    0.0023276   -0.0001718
 H   -1.7087612   14.1489953    6.1410360  0.00   -0.0016227    0.0008582   -0.0008436
129
 Energy =   -2867.2886483580
 O   -0.1355189   15.5935823    3.8467089  0.00    0.0000488   -0.0069514   -0.0028795
Th   -0.2036413   17.7921107    4.8911397  0.00   -0.0001178   -0.0078664    0.0001050
Si   -0.1209701   15.1768247    7.8005292  0.00    0.0005843   -0.0134676    0.0063363
 N   -2.1792928   16.9906356    4.2150768  0.00   -0.0028006    0.0090330    0.0056078
 N    1.8202626   17.1005784    4.2407830  0.00    0.0052679    0.0095300    0.0060224
 C   -2.5944804   13.1763129    2.6206138  0.00    0.0127044   -0.0099802   -0.0029904
 H   -2.6550364   12.1770366    2.2119744  0.00   -0.0042236    0.0115929    0.0037343
 C   -3.7613099   13.9046774    2.8118648  0.00   -0.0076829   -0.0005768    0.0002431
 C   -3.6678351   15.1967917    3.3423128  0.00    0.0029571   -0.0034580   -0.0001841
 H   -4.5562506   15.7993925    3.4892795  0.00    0.0046556   -0.0046201   -0.0017501
 C   -2.4371536   15.7328984    3.6790311  0.00   -0.0101232   -0.0015344   -0.0016816
 C    2.1548648   15.8672806    3.6928803  0.00   -0.0037717   -0.0090939   -0.0036216
 C    3.4153198   15.4109279    3.3513948  0.00    0.0077670    0.0076364    0.0029668
 H    4.2657339   16.0651933    3.5044671  0.00   -0.0089161   -0.0074049   -0.0023470
 C    3.5878939   14.1290569    2.8169601  0.00   -0.0004798   -0.0149019   -0.0048436
 C    2.4676166   13.3307639    2.6228859  0.00   -0.0031846   -0.0006036   -0.0003139
 H    2.5896664   12.3383427    2.2117994  0.00    0.0036283    0.0087758    0.0026195
 C   -0.0522314   12.8760541    2.7223022  0.00    0.0008229   -0.0054654   -0.0026881
 C   -1.3268526   13.6817173    2.9370709  0.00   -0.0040398    0.0033174    0.0010994
 C   -1.3073361   14.9452192    3.4682021  0.00    0.0055130   -0.0090040   -0.0032800
 C    1.0738654   15.0150800    3.4733791  0.00    0.0041722    0.0062504    0.0020359
 C    1.1710299   13.7573061    2.9388650  0.00    0.0004858   -0.0068221   -0.0030090
 C   -0.0174087   11.7176897    3.7334591  0.00    0.0001171    0.0014134   -0.0065020
 H   -0.0296690   12.0943265    4.7584205  0.00    0.0002730   -0.0070146   -0.0038720
 H    0.8864649   11.1193050    3.6003755  0.00   -0.0027528    0.0025481   -0.0025726
 H   -0.8826148   11.0648621    3.5992668  0.00    0.0025461    0.0027896   -0.0026318
 C   -0.0346595   12.3208859    1.2916788  0.00    0.0003133   -0.0014075    0.0040344
 H   -0.8931038   11.6723589    1.1131069  0.00    0.0023037    0.0009613    0.0044186
 H    0.8618899   11.7258599    1.1141663  0.00   -0.0025272    0.0008186    0.0041740
 H   -0.0589928   13.1310335    0.5602566  0.00    0.0002789   -0.0077138   -0.0011012
 C   -5.1387905   13.3477223    2.4541361  0.00    0.0008700   -0.0036426   -0.0012403
 C   -6.0263176   13.3351624    3.7048004  0.00    0.0009529   -0.0030253   -0.0039023
 H   -5.5842312   12.7243796    4.4957258  0.00    0.0000305    0.0021043   -0.0019609
 H   -7.0079381   12.9194697    3.4642953  0.00    0.0009566   -0.0011943   -0.0032081
 H   -6.1859437   14.3402492    4.1011347  0.00    0.0035562   -0.0033934   -0.0003017
 C   -5.7833494   14.2404074    1.3861323  0.00    0.0006580   -0.0046378    0.0005038
 H   -5.9192307   15.2650018    1.7397626  0.00    0.0032030   -0.0027022   -0.0020364
 H   -6.7689334   13.8527681    1.1165393  0.00    0.0006228   -0.0034325    0.0017223
 H   -5.1732878   14.2716755    0.4798703  0.00   -0.0010258    0.0007181    0.0022123
 C   -5.0603603   11.9243299    1.9079866  0.00   -0.0027036    0.0044715    0.0011495
 H   -4.4695724   11.8728415    0.9897212  0.00   -0.0035340   -0.0043089    0.0046181
 H   -6.0651495   11.5689202    1.6701208  0.00    0.0012032    0.0039297    0.0014590
 H   -4.6325193   11.2323345    2.6381172  0.00   -0.0020662    0.0002028   -0.0069695
 C    4.9981036   13.6555826    2.4671266  0.00    0.0003459   -0.0015900   -0.0006144
 C    5.6089205   14.6022687    1.4263627  0.00    0.0001020   -0.0054483    0.0000455
 H    6.6153309   14.2697364    1.1602976  0.00   -0.0005206   -0.0038024    0.0017288
 H    5.6915957   15.6240017    1.8038504  0.00   -0.0030603   -0.0028551   -0.0021537
 H    5.0079995   14.6238194    0.5137454  0.00    0.0008818    0.0004599    0.0020965
 C    5.8663403   13.6674000    3.7315685  0.00   -0.0003158   -0.0037037   -0.0043994
 H    5.4487260   13.0147435    4.5020630  0.00    0.0000727    0.0019565   -0.0019462
 H    5.9593998   14.6712788    4.1516565  0.00   -0.0031840   -0.0037499   -0.0004743
 H    6.8743581   13.3151812    3.4988021  0.00   -0.0010281   -0.0013043   -0.0033524
 C    5.0051050   12.2411686    1.8930630  0.00    0.0012672    0.0041267    0.0012312
 H    4.6114595   11.5117607    2.6057547  0.00    0.0022896    0.0003746   -0.0072248
 H    6.0302383   11.9475167    1.6578520  0.00   -0.0011339    0.0042373    0.0016794
 H    4.4251021   12.1748657    0.9688410  0.00    0.0039727   -0.0045202    0.0047525
 C   -3.1974889   17.9879616    4.2659185  0.00   -0.0052197    0.0035250   -0.0038944
 C   -3.9897788   18.1518417    5.4259402  0.00   -0.0070142    0.0077404    0.0024036
 C   -4.9642272   19.1454625    5.4308699  0.00    0.0026486    0.0012826   -0.0006704
 H   -5.5828367   19.2731933    6.3118063  0.00    0.0013520    0.0024379   -0.0067156
 C   -5.1769152   19.9528610    4.3304690  0.00    0.0024744    0.0119575    0.0126510
 H   -5.9535781   20.7089814    4.3517460  0.00    0.0081643   -0.0000897    0.0019945
 C   -4.4020552   19.7868476    3.1977769  0.00    0.0045132    0.0043380   -0.0095726
 H   -4.5841344   20.4157740    2.3342205  0.00   -0.0012614   -0.0009336    0.0118663
 C   -3.4087697   18.8162292    3.1350435  0.00   -0.0045139    0.0060827    0.0030493
 C   -2.6621050   18.6333349    1.8295057  0.00   -0.0003359   -0.0013313   -0.0009068
 H   -1.7725979   18.0209557    2.0238756  0.00   -0.0006156    0.0043404    0.0029158
 C   -3.5254770   17.8658221    0.8256577  0.00    0.0010172   -0.0030672   -0.0025382
 H   -3.8227663   16.8908002    1.2115629  0.00    0.0025923   -0.0030241   -0.0014005
 H   -2.9825260   17.7104206   -0.1093120  0.00    0.0079185    0.0034865   -0.0021686
 H   -4.4319952   18.4323077    0.5970379  0.00    0.0000464   -0.0008189   -0.0024033
 C   -2.2099248   19.9566781    1.2172972  0.00   -0.0003978   -0.0023741    0.0025023
 H   -3.0600266   20.5489964    0.8724860  0.00    0.0051595   -0.0012412    0.0013110
 H   -1.5779358   19.7722845    0.3465575  0.00    0.0008585    0.0002157    0.0042264
 H   -1.6480770   20.5720791    1.9243227  0.00    0.0025857    0.0000806   -0.0008833
 C   -3.8819883   17.2485367    6.6349145  0.00   -0.0008840   -0.0016513   -0.0011701
 H   -3.0020630   16.6152470    6.5037100  0.00    0.0010679    0.0035889   -0.0012001
 C   -5.0987926   16.3264659    6.7280379  0.00   -0.0011221   -0.0017187    0.0009856
 H   -6.0191701   16.9037776    6.8466886  0.00    0.0009017    0.0003581    0.0003284
 H   -5.0104124   15.6619856    7.5905494  0.00    0.0055665   -0.0004410    0.0054972
 H   -5.2004356   15.7054494    5.8378041  0.00    0.0010120   -0.0045423   -0.0016207
 C   -3.7255613   18.0353776    7.9354430  0.00    0.0007407    0.0000886   -0.0038923
 H   -2.9040778   18.7553511    7.8900137  0.00    0.0021403   -0.0008786    0.0017655
 H   -3.5358370   17.3559396    8.7698445  0.00    0.0023707    0.0003891   -0.0036363
 H   -4.6321795   18.5948557    8.1771917  0.00    0.0037190   -0.0013661   -0.0005529
 C    2.7647408   18.1671885    4.2843637  0.00    0.0052974    0.0057231   -0.0057008
 C    2.9419760   18.9752830    3.1347438  0.00    0.0002297    0.0027110    0.0042581
 C    3.8389638   20.0352450    3.1960370  0.00   -0.0017533    0.0080738   -0.0097403
 H    3.9918850   20.6518963    2.3171824  0.00   -0.0009174   -0.0013882    0.0117047
 C    4.5562619   20.3044537    4.3468418  0.00   -0.0083724    0.0069033    0.0128426
 H    5.2572552   21.1309384    4.3709533  0.00   -0.0066412    0.0009475    0.0000073
 C    4.3889759   19.5048772    5.4615576  0.00    0.0021819    0.0081530   -0.0016952
 H    4.9708789   19.7082565    6.3532373  0.00   -0.0018054    0.0021518   -0.0085283
 C    3.5119516   18.4244951    5.4571793  0.00    0.0025719    0.0033577    0.0029829
 C    3.4728961   17.5236602    6.6720996  0.00    0.0024394    0.0006301   -0.0013032
 H    2.6411501   16.8272025    6.5472540  0.00   -0.0010190    0.0035547   -0.0015003
 C    4.7550218   16.6927069    6.7546259  0.00    0.0005826   -0.0015709    0.0018974
 H    4.8950451   16.0834997    5.8612457  0.00   -0.0006774   -0.0052698   -0.0009326
 H    4.7224114   16.0210942    7.6154661  0.00   -0.0057457   -0.0002686    0.0065675
 H    5.6312417   17.3363057    6.8671190  0.00   -0.0017419    0.0007492    0.0010355
 C    3.2679602   18.2983987    7.9723744  0.00   -0.0004519    0.0001848   -0.0033716
 H    4.1309821   18.9254868    8.2072914  0.00   -0.0028675   -0.0016948    0.0005938
 H    3.1371610   17.6081019    8.8090410  0.00   -0.0032669   -0.0010326   -0.0038368
 H    2.3933898   18.9533354    7.9328870  0.00   -0.0025792   -0.0009258    0.0018127
 C    2.2551084   18.6879521    1.8164424  0.00    0.0007641   -0.0002860   -0.0015452
 H    1.5316800   17.8812441    1.9745466  0.00   -0.0028636    0.0033249    0.0032166
 C    1.5066760   19.9045578    1.2786974  0.00    0.0023262   -0.0026960    0.0008587
 H    0.7826742   20.2956395    1.9991690  0.00   -0.0013823    0.0002878   -0.0011277
 H    0.9686936   19.6460037    0.3641995  0.00   -0.0003351    0.0024008    0.0035260
 H    2.1909128   20.7198667    1.0339002  0.00   -0.0038253   -0.0025393    0.0009872
 C    3.2666907   18.1891396    0.7834100  0.00   -0.0006661   -0.0030950   -0.0021601
 H    4.0130955   18.9582485    0.5701780  0.00    0.0010892   -0.0005031   -0.0031656
 H    2.7661778   17.9403168   -0.1549331  0.00   -0.0077664    0.0013364   -0.0016547
 H    3.7891549   17.2985794    1.1346355  0.00   -0.0027117   -0.0023716   -0.0015589
 C   -0.1866571   16.9394283    7.1194678  0.00   -0.0003044   -0.0013682    0.0078224
 H    0.6702830   17.4739904    7.5659279  0.00    0.0045896    0.0012617    0.0044814
 H   -1.0878764   17.4043235    7.5561018  0.00   -0.0045863    0.0005762    0.0044830
 C    1.4400674   14.3020389    7.2338992  0.00   -0.0001115    0.0034580   -0.0014396
 H    1.5418032   14.2668517    6.1460373  0.00    0.0015964    0.0004699    0.0036087
 H    1.4261925   13.2698410    7.5969884  0.00   -0.0014015    0.0027983   -0.0007489
 H    2.3398400   14.7711182    7.6399043  0.00   -0.0019154    0.0002316   -0.0012387
 C   -0.1236281   15.2149236    9.6774617  0.00   -0.0003751    0.0055610   -0.0037199
 H    0.7397864   15.7597563   10.0691954  0.00   -0.0055781    0.0022583   -0.0003276
 H   -0.0856296   14.2001972   10.0852581  0.00   -0.0003700    0.0056499   -0.0060535
 H   -1.0254536   15.6936726   10.0689030  0.00    0.0050145    0.0026853   -0.0005062
 C   -1.6121181   14.1902138    7.2292120  0.00   -0.0002617    0.0041160   -0.0017042
 H   -2.5445426   14.5922353    7.6335255  0.00    0.0015602    0.0008188   -0.0013422
 H   -1.5247938   13.1608598    7.5901580  0.00    0.0020751    0.0038501   -0.0003320
 H   -1.7082839   14.1501965    6.1409779  0.00   -0.0018860    0.0005779    0.0035100
129
 Energy =   -2867.2886651320
 O   -0.1354491   15.5919111    3.8460528  0.00    0.0003325    0.0053405    0.0031329
Th   -0.2035549   17.7911217    4.8906355  0.00    0.0006534   -0.0045370    0.0047605
Si   -0.1210360   15.1774302    7.8007198  0.00    0.0006104   -0.0131791    0.0048168
 N   -2.1793927   16.9904912    4.2151037  0.00   -0.0014061    0.0003580    0.0011407
 N    1.8205908   17.1004630    4.2407879  0.00    0.0000517   -0.0002083    0.0015454
 C   -2.5939951   13.1750679    2.6203133  0.00   -0.0042648    0.0091026    0.0017942
 H   -2.6542985   12.1763021    2.2115402  0.00   -0.0063375    0.0049399    0.0013494
 C   -3.7610759   13.9042274    2.8117772  0.00   -0.0008172   -0.0113091   -0.0040894
 C   -3.6679679   15.1964431    3.3421295  0.00    0.0023526   -0.0021735    0.0014613
 H   -4.5562160   15.7994337    3.4893254  0.00    0.0048901   -0.0073654   -0.0030089
 C   -2.4375201   15.7326903    3.6790098  0.00    0.0045027   -0.0115926   -0.0044256
 C    2.1549075   15.8668921    3.6927512  0.00    0.0103198   -0.0039511   -0.0033383
 C    3.4158340   15.4108750    3.3512295  0.00   -0.0127446   -0.0112266   -0.0008495
 H    4.2656144   16.0651535    3.5044942  0.00   -0.0016752   -0.0044705   -0.0023037
 C    3.5874801   14.1281576    2.8166964  0.00    0.0108803    0.0009772   -0.0002656
 C    2.4674990   13.3297643    2.6226643  0.00   -0.0053299   -0.0003579   -0.0017618
 H    2.5889777   12.3374654    2.2113215  0.00    0.0062888    0.0076763    0.0024163
 C   -0.0521770   12.8753071    2.7218150  0.00   -0.0009173   -0.0044635   -0.0006162
 C   -1.3269422   13.6810188    2.9367771  0.00    0.0016376   -0.0079708   -0.0024053
 C   -1.3075779   14.9441146    3.4679008  0.00    0.0012015    0.0081372    0.0013356
 C    1.0744533   15.0144501    3.4731549  0.00   -0.0090724   -0.0078601   -0.0038663
 C    1.1710884   13.7563475    2.9384349  0.00    0.0035331    0.0034121    0.0016675
 C   -0.0173801   11.7169092    3.7328175  0.00    0.0000450    0.0001526   -0.0035416
 H   -0.0296327   12.0931442    4.7578754  0.00    0.0002128   -0.0054737   -0.0032489
 H    0.8864686   11.1184455    3.6001687  0.00   -0.0023774    0.0024480   -0.0039129
 H   -0.8825823   11.0640352    3.5990298  0.00    0.0022605    0.0027083   -0.0039139
 C   -0.0346234   12.3198492    1.2914099  0.00   -0.0000212   -0.0017266    0.0009027
 H   -0.8930803   11.6713466    1.1127247  0.00    0.0026115    0.0008002    0.0052391
 H    0.8618964   11.7248201    1.1137241  0.00   -0.0026369    0.0005925    0.0050709
 H   -0.0589545   13.1294801    0.5594647  0.00    0.0002453   -0.0062366   -0.0005644
 C   -5.1384560   13.3472916    2.4539552  0.00   -0.0056673   -0.0027330   -0.0014652
 C   -6.0263186   13.3347041    3.7044862  0.00    0.0004957   -0.0022074   -0.0039384
 H   -5.5842141   12.7242910    4.4956537  0.00   -0.0002956    0.0005441   -0.0022368
 H   -7.0081535   12.9191281    3.4637438  0.00    0.0042321   -0.0000163   -0.0019658
 H   -6.1855308   14.3398024    4.1009150  0.00    0.0023729   -0.0028992   -0.0006777
 C   -5.7833938   14.2398966    1.3859657  0.00    0.0001336   -0.0040133    0.0010693
 H   -5.9189270   15.2645180    1.7396099  0.00    0.0020674   -0.0025373   -0.0016166
 H   -6.7692304   13.8521725    1.1165905  0.00    0.0040573   -0.0020448    0.0022633
 H   -5.1733584   14.2716363    0.4797344  0.00   -0.0011506   -0.0006149    0.0014355
 C   -5.0609557   11.9240599    1.9077754  0.00   -0.0003230    0.0008522    0.0001007
 H   -4.4701957   11.8718157    0.9896486  0.00   -0.0032990   -0.0027994    0.0023693
 H   -6.0659521   11.5689791    1.6700401  0.00    0.0021635    0.0044663    0.0017665
 H   -4.6330333   11.2316328    2.6373189  0.00   -0.0024196   -0.0001870   -0.0044212
 C    4.9978565   13.6551283    2.4669304  0.00    0.0046690   -0.0040996   -0.0020550
 C    5.6090311   14.6016914    1.4261606  0.00   -0.0000234   -0.0039913    0.0008743
 H    6.6156816   14.2691112    1.1603206  0.00   -0.0037107   -0.0027558    0.0021887
 H    5.6913307   15.6234499    1.8036788  0.00   -0.0018787   -0.0028254   -0.0018908
 H    5.0080919   14.6237349    0.5135972  0.00    0.0011208   -0.0008912    0.0012892
 C    5.8664087   13.6668818    3.7312142  0.00   -0.0004447   -0.0021233   -0.0037913
 H    5.4487486   13.0146254    4.5019877  0.00    0.0004820    0.0003755   -0.0023150
 H    5.9590412   14.6707637    4.1513826  0.00   -0.0019773   -0.0033172   -0.0008155
 H    6.8746280   13.3148249    3.4982534  0.00   -0.0040625   -0.0005234   -0.0023348
 C    5.0057230   12.2408587    1.8928415  0.00    0.0010522    0.0009986    0.0000952
 H    4.6120847   11.5110049    2.6049100  0.00    0.0024411   -0.0001524   -0.0043881
 H    6.0310872   11.9475994    1.6577652  0.00   -0.0024965    0.0045953    0.0020232
 H    4.4258476   12.1737686    0.9687427  0.00    0.0033634   -0.0028961    0.0022244
 C   -3.1974114   17.9876843    4.2656088  0.00   -0.0068154    0.0035921    0.0050483
 C   -3.9895936   18.1514962    5.4258693  0.00    0.0030734    0.0029427   -0.0023656
 C   -4.9634575   19.1451029    5.4305636  0.00    0.0005140    0.0110649    0.0064361
 H   -5.5810619   19.2739333    6.3117493  0.00   -0.0022223    0.0013017   -0.0032802
 C   -5.1754267   19.9538214    4.3312298  0.00    0.0094785   -0.0026341   -0.0063624
 H   -5.9518814   20.7095275    4.3522369  0.00    0.0036844    0.0062033    0.0034423
 C   -4.4011997   19.7867044    3.1975781  0.00   -0.0014711    0.0097101    0.0132231
 H   -4.5823724   20.4166433    2.3354087  0.00   -0.0036385    0.0038758    0.0012181
 C   -3.4084104   18.8160239    3.1350464  0.00    0.0018738    0.0047566   -0.0028426
 C   -2.6608690   18.6335854    1.8297403  0.00   -0.0040151    0.0005647    0.0013182
 H   -1.7710244   18.0218659    2.0244762  0.00   -0.0013879    0.0025114    0.0021667
 C   -3.5244476   17.8662610    0.8259091  0.00    0.0024116   -0.0024771   -0.0017278
 H   -3.8215151   16.8912266    1.2120256  0.00    0.0020268   -0.0027021   -0.0024146
 H   -2.9818334   17.7110852   -0.1092643  0.00    0.0080264    0.0030496   -0.0026081
 H   -4.4309403   18.4331712    0.5979073  0.00    0.0007931   -0.0023314   -0.0025807
 C   -2.2089488   19.9571390    1.2178621  0.00    0.0003837   -0.0013241    0.0021341
 H   -3.0589247   20.5493074    0.8728534  0.00    0.0029892   -0.0005832    0.0010082
 H   -1.5769891   19.7730493    0.3471120  0.00    0.0017818   -0.0003136    0.0037115
 H   -1.6473402   20.5730420    1.9246908  0.00    0.0024706   -0.0014041   -0.0004888
 C   -3.8810054   17.2484915    6.6351318  0.00   -0.0033668    0.0019586   -0.0017167
 H   -3.0006535   16.6157525    6.5042824  0.00   -0.0001689    0.0022608   -0.0024306
 C   -5.0980578   16.3267295    6.7282465  0.00    0.0005253   -0.0021465    0.0008860
 H   -6.0180175   16.9048545    6.8465940  0.00    0.0009719   -0.0013718    0.0002060
 H   -5.0101622   15.6622474    7.5908464  0.00    0.0054770   -0.0001150    0.0051774
 H   -5.1994891   15.7057534    5.8378834  0.00    0.0001811   -0.0041495   -0.0005396
 C   -3.7247054   18.0356890    7.9355047  0.00    0.0007923    0.0001205   -0.0026695
 H   -2.9035658   18.7561207    7.8904615  0.00    0.0022389   -0.0017398    0.0005088
 H   -3.5347975   17.3564152    8.7699811  0.00    0.0026002   -0.0001162   -0.0035895
 H   -4.6314222   18.5947696    8.1775051  0.00    0.0024613   -0.0007155   -0.0009569
 C    2.7648304   18.1669800    4.2839709  0.00    0.0043125    0.0012198    0.0048183
 C    2.9415500   18.9750396    3.1347330  0.00   -0.0004536    0.0080762   -0.0035731
 C    3.8381418   20.0353194    3.1958494  0.00   -0.0042391    0.0063623    0.0117044
 H    3.9897583   20.6528696    2.3183617  0.00    0.0021172    0.0045364   -0.0001019
 C    4.5544992   20.3052629    4.3475516  0.00   -0.0061825    0.0007196   -0.0078044
 H    5.2554353   21.1315483    4.3713456  0.00   -0.0054406    0.0044836    0.0015279
 C    4.3884196   19.5046459    5.4611338  0.00   -0.0046065    0.0076971    0.0081140
 H    4.9690232   19.7088967    6.3530139  0.00    0.0032392    0.0022378   -0.0035152
 C    3.5117971   18.4240112    5.4570727  0.00   -0.0003307    0.0061817   -0.0027023
 C    3.4719775   17.5236238    6.6722868  0.00    0.0028898    0.0022034   -0.0016786
 H    2.6397742   16.8275932    6.5476848  0.00    0.0010078    0.0031262   -0.0021831
 C    4.7542570   16.6929133    6.7549729  0.00   -0.0006873   -0.0018455    0.0013604
 H    4.8941008   16.0836469    5.8614932  0.00    0.0000442   -0.0045656    0.0006021
 H    4.7221145   16.0214469    7.6159860  0.00   -0.0058065    0.0000311    0.0061652
 H    5.6299777   17.3373211    6.8671358  0.00   -0.0014694   -0.0010573    0.0009053
 C    3.2669815   18.2988567    7.9723060  0.00   -0.0004956    0.0003003   -0.0022045
 H    4.1303099   18.9252528    8.2077013  0.00   -0.0019473   -0.0008671    0.0000692
 H    3.1354642   17.6088151    8.8090482  0.00   -0.0032397   -0.0016319   -0.0037578
 H    2.3929393   18.9545765    7.9328510  0.00   -0.0023820   -0.0020059    0.0007336
 C    2.2538553   18.6881695    1.8165752  0.00    0.0026665    0.0010399    0.0008854
 H    1.5297002   17.8821689    1.9750775  0.00   -0.0009378    0.0019364    0.0020346
 C    1.5058672   19.9050430    1.2789327  0.00    0.0014143   -0.0014369    0.0014996
 H    0.7819547   20.2968032    1.9991591  0.00   -0.0010252   -0.0010443   -0.0007941
 H    0.9678768   19.6468069    0.3644313  0.00   -0.0009444    0.0015874    0.0027822
 H    2.1901805   20.7200992    1.0340153  0.00   -0.0020792   -0.0013417    0.0006147
 C    3.2655952   18.1893863    0.7836953  0.00   -0.0017342   -0.0025946   -0.0015746
 H    4.0120236   18.9587951    0.5710310  0.00    0.0001049   -0.0025927   -0.0032557
 H    2.7654012   17.9406667   -0.1548094  0.00   -0.0078670    0.0012478   -0.0022716
 H    3.7876841   17.2987630    1.1352804  0.00   -0.0017086   -0.0023907   -0.0023491
 C   -0.1865727   16.9396929    7.1200199  0.00   -0.0003181    0.0017738    0.0019982
 H    0.6705856   17.4744353    7.5658743  0.00    0.0035306    0.0009452    0.0049204
 H   -1.0879211   17.4047356    7.5562154  0.00   -0.0038302    0.0006821    0.0048920
 C    1.4398978   14.3026138    7.2339924  0.00   -0.0002125    0.0025310   -0.0002670
 H    1.5415533   14.2674329    6.1461669  0.00    0.0016495    0.0004014    0.0029209
 H    1.4257064   13.2703508    7.5970430  0.00   -0.0006769    0.0035639   -0.0009731
 H    2.3397344   14.7716496    7.6399600  0.00   -0.0021853   -0.0003087   -0.0012119
 C   -0.1237281   15.2159281    9.6772908  0.00   -0.0002564    0.0038588   -0.0025224
 H    0.7395251   15.7606515   10.0692815  0.00   -0.0039394    0.0024633   -0.0003679
 H   -0.0857075   14.2009844   10.0843354  0.00   -0.0003588    0.0049193   -0.0038081
 H   -1.0253683   15.6945771   10.0690246  0.00    0.0033218    0.0027868   -0.0005733
 C   -1.6121160   14.1908544    7.2292637  0.00    0.0001031    0.0028927   -0.0002793
 H   -2.5446835   14.5926739    7.6334988  0.00    0.0019479    0.0004729   -0.0012234
 H   -1.5242838   13.1615076    7.5902780  0.00    0.0011059    0.0045125   -0.0006575
 H   -1.7082091   14.1506981    6.1410772  0.00   -0.0018482    0.0006270    0.0026829
129
 Energy =   -2867.2886799660
 O   -0.1353695   15.5907137    3.8456306  0.00   -0.0003454    0.0093415    0.0050123
Th   -0.2034604   17.7902056    4.8903616  0.00    0.0001223   -0.0049432    0.0060555
Si   -0.1210719   15.1774477    7.8010620  0.00    0.0002100   -0.0042758    0.0006333
 N   -2.1795898   16.9900938    4.2150966  0.00   -0.0001895   -0.0026751   -0.0008913
 N    1.8209325   17.1000439    4.2407741  0.00   -0.0001575   -0.0024066   -0.0003606
 C   -2.5939101   13.1746564    2.6201928  0.00   -0.0028792   -0.0046160   -0.0036197
 H   -2.6541089   12.1758920    2.2112370  0.00   -0.0067974    0.0051116    0.0014832
 C   -3.7608783   13.9032168    2.8114578  0.00   -0.0095453    0.0082724    0.0029697
 C   -3.6680678   15.1959494    3.3419954  0.00    0.0079180   -0.0130535   -0.0033977
 H   -4.5559598   15.7990898    3.4892079  0.00    0.0015272   -0.0066431   -0.0030028
 C   -2.4375652   15.7320648    3.6788024  0.00    0.0009319   -0.0051590   -0.0016399
 C    2.1553339   15.8664747    3.6925181  0.00   -0.0076224   -0.0125588   -0.0039530
 C    3.4158043   15.4102021    3.3510042  0.00   -0.0024126   -0.0097379   -0.0023770
 H    4.2654388   16.0648606    3.5043872  0.00   -0.0026099   -0.0071877   -0.0032185
 C    3.5875899   14.1273284    2.8164074  0.00    0.0038846    0.0033899    0.0012293
 C    2.4672776   13.3291211    2.6224438  0.00    0.0084153    0.0012989   -0.0023884
 H    2.5888253   12.3370709    2.2110327  0.00    0.0065139    0.0038579    0.0009427
 C   -0.0521742   12.8744898    2.7214145  0.00    0.0015878   -0.0004901   -0.0005678
 C   -1.3269404   13.6800985    2.9364333  0.00    0.0030597    0.0053541    0.0023911
 C   -1.3077551   14.9433875    3.4676285  0.00    0.0057385   -0.0003907   -0.0012816
 C    1.0745616   15.0133804    3.4727170  0.00    0.0003023    0.0123603    0.0036032
 C    1.1712838   13.7557202    2.9381658  0.00   -0.0063629   -0.0052074   -0.0015287
 C   -0.0173549   11.7162937    3.7321963  0.00   -0.0000176   -0.0009371   -0.0002429
 H   -0.0295984   12.0920424    4.7573288  0.00    0.0001518   -0.0034817   -0.0017908
 H    0.8863711   11.1178644    3.5998770  0.00   -0.0001872    0.0007682   -0.0052112
 H   -0.8824610   11.0634865    3.5987168  0.00    0.0002922    0.0009016   -0.0051463
 C   -0.0345974   12.3189667    1.2912226  0.00    0.0000123   -0.0006074    0.0001031
 H   -0.8929508   11.6706035    1.1126133  0.00    0.0003411   -0.0015581    0.0050436
 H    0.8617888   11.7240485    1.1135635  0.00   -0.0002738   -0.0015761    0.0049937
 H   -0.0589167   13.1280705    0.5588748  0.00    0.0001415   -0.0035873   -0.0012206
 C   -5.1384438   13.3468824    2.4537688  0.00   -0.0032031   -0.0052505   -0.0026598
 C   -6.0263305   13.3342608    3.7040608  0.00    0.0019313    0.0004989    0.0000398
 H   -5.5842181   12.7242304    4.4955085  0.00   -0.0006030   -0.0009093   -0.0028550
 H   -7.0081427   12.9188772    3.4632895  0.00    0.0032080   -0.0004749   -0.0019060
 H   -6.1851391   14.3393557    4.1007166  0.00    0.0013960   -0.0027861   -0.0015695
 C   -5.7834530   14.2393307    1.3858903  0.00    0.0018660    0.0001509    0.0008574
 H   -5.9186271   15.2640521    1.7394373  0.00    0.0009957   -0.0029097   -0.0010066
 H   -6.7692803   13.8516743    1.1166950  0.00    0.0031943   -0.0022195    0.0017867
 H   -5.1734593   14.2715728    0.4796825  0.00   -0.0011208   -0.0021041    0.0006704
 C   -5.0614222   11.9238627    1.9076082  0.00   -0.0006724   -0.0011208   -0.0004152
 H   -4.4708117   11.8709410    0.9896872  0.00   -0.0017185   -0.0014938   -0.0014975
 H   -6.0664462   11.5691580    1.6700345  0.00    0.0001955    0.0035909    0.0012397
 H   -4.6335329   11.2311042    2.6365451  0.00   -0.0017349   -0.0018331   -0.0006898
 C    4.9978680   13.6546391    2.4667071  0.00    0.0044046   -0.0045425   -0.0025396
 C    5.6091452   14.6010794    1.4260519  0.00   -0.0018690   -0.0001907    0.0007921
 H    6.6157867   14.2685618    1.1604014  0.00   -0.0029098   -0.0028328    0.0016815
 H    5.6910683   15.6229207    1.8034828  0.00   -0.0008061   -0.0032387   -0.0012872
 H    5.0082088   14.6236275    0.5135305  0.00    0.0012508   -0.0023638    0.0005142
 C    5.8664738   13.6664009    3.7307665  0.00   -0.0019199    0.0002516   -0.0001581
 H    5.4487901   13.0145367    4.5018379  0.00    0.0008202   -0.0011271   -0.0028887
 H    5.9587053   14.6702510    4.1511373  0.00   -0.0010396   -0.0030339   -0.0016992
 H    6.8746644   13.3145411    3.4977889  0.00   -0.0030229   -0.0009491   -0.0022670
 C    5.0062409   12.2406385    1.8926662  0.00    0.0006995   -0.0012814   -0.0005337
 H    4.6126692   11.5104394    2.6041043  0.00    0.0018816   -0.0018421   -0.0006743
 H    6.0316069   11.9477981    1.6577648  0.00   -0.0002496    0.0037764    0.0014744
 H    4.4265575   12.1728383    0.9687577  0.00    0.0017803   -0.0015537   -0.0016254
 C   -3.1974749   17.9877140    4.2655785  0.00    0.0019280   -0.0040788    0.0003032
 C   -3.9890931   18.1514616    5.4258366  0.00   -0.0010506    0.0038047    0.0025022
 C   -4.9626557   19.1453081    5.4305799  0.00    0.0050234    0.0081980    0.0052000
 H   -5.5797586   19.2744844    6.3115987  0.00   -0.0060906    0.0021135    0.0020613
 C   -5.1738782   19.9543514    4.3315866  0.00    0.0003157    0.0016152   -0.0013394
 H   -5.9504196   20.7100429    4.3526958  0.00    0.0052823    0.0062312    0.0035890
 C   -4.4003873   19.7869765    3.1979873  0.00    0.0053202    0.0083648    0.0065037
 H   -4.5811167   20.4173845    2.3363484  0.00   -0.0042515    0.0058351   -0.0019641
 C   -3.4078021   18.8161698    3.1350860  0.00   -0.0001460    0.0048747   -0.0004507
 C   -2.6599828   18.6338506    1.8299666  0.00   -0.0026610    0.0017210    0.0023752
 H   -1.7697855   18.0226609    2.0249191  0.00   -0.0024467    0.0012898    0.0020070
 C   -3.5235393   17.8665272    0.8261003  0.00    0.0032057   -0.0002838   -0.0032148
 H   -3.8204741   16.8915134    1.2123354  0.00    0.0019112   -0.0028514   -0.0031457
 H   -2.9809789   17.7117411   -0.1093111  0.00    0.0065786    0.0027298   -0.0008857
 H   -4.4300750   18.4337864    0.5985429  0.00    0.0021991   -0.0040585   -0.0024742
 C   -2.2081115   19.9575112    1.2184462  0.00   -0.0004580   -0.0012851   -0.0007652
 H   -3.0579610   20.5495377    0.8731977  0.00    0.0011559    0.0002389    0.0006845
 H   -1.5761210   19.7737181    0.3476873  0.00    0.0023319   -0.0009127    0.0033666
 H   -1.6466994   20.5737580    1.9249630  0.00    0.0032005   -0.0013760    0.0016931
 C   -3.8803337   17.2485729    6.6352757  0.00   -0.0001276    0.0022748   -0.0028345
 H   -2.9995725   16.6161676    6.5046989  0.00   -0.0026357    0.0026083   -0.0030427
 C   -5.0974467   16.3268909    6.7284348  0.00    0.0015477   -0.0032438    0.0003500
 H   -6.0170815   16.9056628    6.8465051  0.00    0.0009663   -0.0028554    0.0001661
 H   -5.0097409   15.6624859    7.5912632  0.00    0.0047481    0.0011127    0.0033818
 H   -5.1987450   15.7058783    5.8378930  0.00   -0.0001728   -0.0028680    0.0020127
 C   -3.7239988   18.0359712    7.9354723  0.00    0.0014057   -0.0000731   -0.0011019
 H   -2.9030892   18.7567198    7.8908060  0.00    0.0020822   -0.0021641   -0.0008109
 H   -3.5338366   17.3568271    8.7699930  0.00    0.0025850   -0.0005683   -0.0035863
 H   -4.6307332   18.5946797    8.1777069  0.00    0.0004786    0.0003745   -0.0007357
 C    2.7649127   18.1669340    4.2838620  0.00   -0.0002405   -0.0024382    0.0007339
 C    2.9409454   18.9752822    3.1347158  0.00   -0.0024298    0.0034230   -0.0007646
 C    3.8371370   20.0356148    3.1962329  0.00   -0.0072297    0.0081781    0.0052100
 H    3.9881779   20.6537191    2.3192520  0.00    0.0025480    0.0059510   -0.0025900
 C    4.5528669   20.3058126    4.3478260  0.00   -0.0002139    0.0024046   -0.0018410
 H    5.2538165   21.1320603    4.3716848  0.00   -0.0062026    0.0054367    0.0017486
 C    4.3875995   19.5047823    5.4611233  0.00   -0.0062616    0.0085917    0.0043159
 H    4.9677159   19.7093949    6.3527500  0.00    0.0069513    0.0034276    0.0022373
 C    3.5114450   18.4239952    5.4569844  0.00   -0.0001581    0.0032895    0.0014376
 C    3.4713290   17.5237051    6.6724041  0.00    0.0004347    0.0032086   -0.0029680
 H    2.6387609   16.8279582    6.5480064  0.00    0.0027284    0.0034385   -0.0028189
 C    4.7536154   16.6930451    6.7552806  0.00   -0.0014536   -0.0031757    0.0009550
 H    4.8933649   16.0836341    5.8616765  0.00    0.0002957   -0.0031452    0.0033580
 H    4.7216398   16.0217578    7.6166083  0.00   -0.0052748    0.0014477    0.0041713
 H    5.6289336   17.3380929    6.8671563  0.00   -0.0010788   -0.0025219    0.0008209
 C    3.2661846   18.2992748    7.9721714  0.00   -0.0014857   -0.0003605   -0.0006031
 H    4.1297094   18.9250459    8.2080024  0.00   -0.0003191    0.0002046    0.0002563
 H    3.1339336   17.6093719    8.8089444  0.00   -0.0031520   -0.0016855   -0.0039543
 H    2.3925119   18.9555700    7.9327701  0.00   -0.0017321   -0.0025427   -0.0004817
 C    2.2529085   18.6884369    1.8167034  0.00    0.0011782    0.0011809    0.0025910
 H    1.5280709   17.8829491    1.9754806  0.00    0.0013948    0.0017335    0.0016451
 C    1.5052163   19.9054127    1.2792377  0.00    0.0014311   -0.0000552   -0.0009739
 H    0.7813734   20.2977079    1.9990984  0.00   -0.0017106   -0.0013891    0.0011870
 H    0.9671362   19.6475628    0.3647151  0.00   -0.0011645    0.0006641    0.0022873
 H    2.1895451   20.7202510    1.0341209  0.00   -0.0003688   -0.0000617    0.0003550
 C    3.2646573   18.1894943    0.7839230  0.00   -0.0027835   -0.0006136   -0.0032319
 H    4.0111809   18.9591356    0.5716188  0.00   -0.0013757   -0.0049048   -0.0029815
 H    2.7644809   17.9410156   -0.1547747  0.00   -0.0065318    0.0013615   -0.0008875
 H    3.7864725   17.2988685    1.1357446  0.00   -0.0011233   -0.0029554   -0.0028019
 C   -0.1865262   16.9398964    7.1205747  0.00   -0.0002488    0.0044289    0.0000557
 H    0.6709653   17.4749094    7.5658746  0.00    0.0006685   -0.0005371    0.0044944
 H   -1.0881113   17.4052260    7.5563428  0.00   -0.0010577   -0.0003742    0.0045186
 C    1.4397254   14.3031665    7.2340895  0.00   -0.0001867    0.0007872   -0.0002220
 H    1.5414343   14.2678985    6.1463494  0.00    0.0012053    0.0005937    0.0016111
 H    1.4252769   13.2709553    7.5970337  0.00    0.0002211    0.0019748   -0.0004981
 H    2.3395700   14.7720468    7.6399391  0.00   -0.0010934    0.0002181   -0.0002012
 C   -0.1238155   15.2168295    9.6770598  0.00   -0.0002461    0.0022284   -0.0005386
 H    0.7391735   15.7614449   10.0693519  0.00   -0.0012786    0.0030146   -0.0004151
 H   -0.0857840   14.2018268   10.0834879  0.00   -0.0002706    0.0024898   -0.0008012
 H   -1.0251785   15.6953903   10.0691165  0.00    0.0006851    0.0031131   -0.0006734
 C   -1.6120796   14.1914609    7.2293316  0.00   -0.0000093    0.0014590   -0.0003836
 H   -2.5447153   14.5930291    7.6334143  0.00    0.0011550    0.0008373   -0.0002415
 H   -1.5238368   13.1622431    7.5903293  0.00    0.0002020    0.0025391   -0.0001578
 H   -1.7082287   14.1511084    6.1412272  0.00   -0.0012905    0.0008469    0.0016139
129
 Energy =   -2867.2887024260
 O   -0.1352404   15.5887896    3.8450452  0.00   -0.0000850    0.0152363    0.0076356
Th   -0.2032742   17.7882966    4.8899140  0.00    0.0004326   -0.0021210    0.0074137
Si   -0.1211655   15.1778190    7.8015960  0.00   -0.0004353    0.0111088   -0.0057097
 N   -2.1798273   16.9888283    4.2148642  0.00    0.0006300   -0.0052321   -0.0033771
 N    1.8214666   17.0987834    4.2405453  0.00   -0.0008624   -0.0069986   -0.0039203
 C   -2.5939495   13.1732171    2.6196092  0.00   -0.0003579    0.0075952    0.0019455
 H   -2.6538347   12.1751040    2.2106281  0.00   -0.0086501   -0.0046873   -0.0024382
 C   -3.7610865   13.9018746    2.8110354  0.00   -0.0010924   -0.0029052   -0.0022301
 C   -3.6678553   15.1940900    3.3414320  0.00    0.0028649    0.0037608    0.0030343
 H   -4.5554463   15.7981474    3.4888598  0.00    0.0035757   -0.0106162   -0.0041089
 C   -2.4375423   15.7306350    3.6783595  0.00    0.0031122   -0.0063497   -0.0026294
 C    2.1553945   15.8648003    3.6918258  0.00    0.0002841    0.0013139    0.0006820
 C    3.4158753   15.4083531    3.3503599  0.00   -0.0015052    0.0001934    0.0014591
 H    4.2649946   16.0639148    3.5040250  0.00   -0.0029271   -0.0103551   -0.0041489
 C    3.5878771   14.1258276    2.8158695  0.00    0.0031330    0.0009876   -0.0010459
 C    2.4675687   13.3277764    2.6218128  0.00   -0.0027899    0.0044921    0.0006142
 H    2.5886168   12.3361761    2.2103995  0.00    0.0094936   -0.0036873   -0.0022985
 C   -0.0520347   12.8727715    2.7205165  0.00   -0.0010910    0.0057198    0.0022459
 C   -1.3266743   13.6786579    2.9359167  0.00   -0.0060722   -0.0031556   -0.0036935
 C   -1.3077741   14.9416791    3.4669864  0.00    0.0083682    0.0074144    0.0029862
 C    1.0749862   15.0121470    3.4721615  0.00   -0.0135891   -0.0100847   -0.0035044
 C    1.1711108   13.7539276    2.9374545  0.00    0.0088988    0.0087016    0.0010006
 C   -0.0173028   11.7148095    3.7310491  0.00    0.0002234   -0.0031778    0.0012028
 H   -0.0295258   12.0896946    4.7561964  0.00    0.0000366    0.0001254    0.0019241
 H    0.8862518   11.1164492    3.5990633  0.00    0.0025733   -0.0013734   -0.0067725
 H   -0.8822709   11.0621424    3.5978609  0.00   -0.0024983   -0.0015039   -0.0067155
 C   -0.0345435   12.3170343    1.2906942  0.00   -0.0000137   -0.0011671   -0.0006834
 H   -0.8927386   11.6687602    1.1123931  0.00   -0.0025001   -0.0042290    0.0047947
 H    0.8616359   11.7221482    1.1132416  0.00    0.0026173   -0.0039776    0.0048604
 H   -0.0588377   13.1250482    0.5574963  0.00   -0.0000063    0.0008128   -0.0019698
 C   -5.1384889   13.3457274    2.4532222  0.00   -0.0021400   -0.0002173   -0.0004092
 C   -6.0262399   13.3334542    3.7033307  0.00    0.0016299   -0.0001900    0.0017590
 H   -5.5842897   12.7239423    4.4950874  0.00   -0.0000047   -0.0041004   -0.0023164
 H   -7.0080237   12.9183295    3.4623197  0.00    0.0019859   -0.0006613   -0.0007627
 H   -6.1843678   14.3383513    4.1001882  0.00   -0.0004777    0.0010209   -0.0016703
 C   -5.7834566   14.2383169    1.3857413  0.00    0.0021022    0.0008011   -0.0012222
 H   -5.9180700   15.2629631    1.7390902  0.00   -0.0008963   -0.0001095    0.0014602
 H   -6.7692833   13.8505911    1.1169254  0.00    0.0021771   -0.0015279    0.0007135
 H   -5.1737301   14.2712613    0.4795117  0.00   -0.0001420   -0.0042976   -0.0012358
 C   -5.0624346   11.9232279    1.9071797  0.00    0.0021613   -0.0056422   -0.0022542
 H   -4.4721517   11.8690722    0.9894548  0.00    0.0000513    0.0008777   -0.0064721
 H   -6.0675900   11.5695562    1.6700167  0.00   -0.0041034    0.0010396   -0.0001235
 H   -4.6346809   11.2297767    2.6350902  0.00   -0.0010018   -0.0037760    0.0049345
 C    4.9980650   13.6533780    2.4661010  0.00    0.0020471   -0.0002859   -0.0005104
 C    5.6092542   14.5999491    1.4258389  0.00   -0.0018631    0.0003719   -0.0013558
 H    6.6159164   14.2673546    1.1605729  0.00   -0.0022030   -0.0019326    0.0006416
 H    5.6905984   15.6216836    1.8030788  0.00    0.0009701   -0.0003055    0.0012655
 H    5.0085306   14.6232165    0.5133227  0.00    0.0004687   -0.0045999   -0.0014331
 C    5.8664900   13.6654989    3.7299753  0.00   -0.0013343   -0.0005224    0.0017414
 H    5.4489529   13.0141819    4.5014070  0.00    0.0003569   -0.0043708   -0.0025079
 H    5.9580599   14.6691105    4.1505045  0.00    0.0005926    0.0010132   -0.0016569
 H    6.8746571   13.3139042    3.4967884  0.00   -0.0019485   -0.0010784   -0.0011244
 C    5.0073698   12.2399379    1.8922079  0.00   -0.0018138   -0.0058873   -0.0024526
 H    4.6140161   11.5090256    2.6025826  0.00    0.0012504   -0.0037981    0.0049714
 H    6.0328176   11.9482344    1.6577589  0.00    0.0044936    0.0012024   -0.0000161
 H    4.4281022   12.1708506    0.9684658  0.00   -0.0000758    0.0009564   -0.0065777
 C   -3.1972495   17.9872590    4.2653527  0.00    0.0105158   -0.0100299   -0.0006826
 C   -3.9878992   18.1513303    5.4259498  0.00   -0.0044768    0.0073284    0.0030492
 C   -4.9607363   19.1459616    5.4309080  0.00    0.0125050    0.0038940    0.0022359
 H   -5.5771176   19.2757557    6.3116522  0.00   -0.0117147    0.0031720    0.0099081
 C   -5.1709994   19.9554157    4.3322343  0.00   -0.0074366    0.0020354    0.0062072
 H   -5.9469540   20.7114004    4.3538301  0.00    0.0028315    0.0094714    0.0032531
 C   -4.3982869   19.7878792    3.1988502  0.00    0.0134799    0.0069704   -0.0015162
 H   -4.5783381   20.4192716    2.3380786  0.00   -0.0047396    0.0075722   -0.0059222
 C   -3.4063376   18.8164579    3.1352753  0.00   -0.0017946    0.0043497    0.0020037
 C   -2.6580090   18.6346167    1.8305749  0.00    0.0002383    0.0007946    0.0025594
 H   -1.7671383   18.0243431    2.0259197  0.00   -0.0049400   -0.0003390    0.0013585
 C   -3.5213493   17.8672541    0.8264293  0.00    0.0035368    0.0008338   -0.0012998
 H   -3.8181324   16.8921496    1.2129501  0.00    0.0025779   -0.0011550   -0.0054115
 H   -2.9790732   17.7131982   -0.1093795  0.00    0.0053676    0.0021585    0.0009289
 H   -4.4279802   18.4350095    0.5999952  0.00    0.0031353   -0.0061747   -0.0034638
 C   -2.2062776   19.9583592    1.2195763  0.00   -0.0005153    0.0019633   -0.0023662
 H   -3.0559536   20.5501266    0.8739455  0.00   -0.0015337    0.0015863    0.0000343
 H   -1.5740902   19.7751659    0.3489993  0.00    0.0035209   -0.0023783    0.0016494
 H   -1.6451737   20.5753089    1.9257195  0.00    0.0028075   -0.0028875    0.0034211
 C   -3.8787020   17.2489012    6.6355379  0.00    0.0018703    0.0007178   -0.0015906
 H   -2.9973463   16.6171107    6.5055282  0.00   -0.0049148    0.0018111   -0.0044975
 C   -5.0959327   16.3271528    6.7288503  0.00    0.0027101   -0.0000489    0.0002368
 H   -6.0149242   16.9073380    6.8462891  0.00    0.0014292   -0.0065149    0.0002394
 H   -5.0088165   15.6630840    7.5921520  0.00    0.0042871    0.0023003    0.0011784
 H   -5.1971088   15.7062304    5.8380888  0.00   -0.0006554   -0.0024296    0.0043290
 C   -3.7223716   18.0365972    7.9355086  0.00    0.0003533    0.0006615    0.0005554
 H   -2.9019937   18.7579857    7.8914694  0.00    0.0022642   -0.0024978   -0.0031124
 H   -3.5316401   17.3577177    8.7699840  0.00    0.0025989   -0.0022820   -0.0024678
 H   -4.6293359   18.5945551    8.1781632  0.00   -0.0011838    0.0015181   -0.0006265
 C    2.7649342   18.1664783    4.2835150  0.00   -0.0100270   -0.0101780   -0.0012571
 C    2.9393447   18.9756187    3.1347658  0.00   -0.0014229    0.0018972    0.0025258
 C    3.8346276   20.0366030    3.1969974  0.00   -0.0124641    0.0083066   -0.0025763
 H    3.9846629   20.6558523    2.3208785  0.00    0.0029905    0.0071145   -0.0060714
 C    4.5498117   20.3069709    4.3482958  0.00    0.0030382   -0.0017810    0.0065815
 H    5.2499705   21.1333914    4.3725419  0.00   -0.0023765    0.0109794    0.0016255
 C    4.3856348   19.5053386    5.4613281  0.00   -0.0107979    0.0073894   -0.0013239
 H    4.9650857   19.7105994    6.3525927  0.00    0.0118217    0.0047765    0.0100625
 C    3.5104736   18.4237885    5.4568999  0.00    0.0024089    0.0064792    0.0031234
 C    3.4697663   17.5240602    6.6725902  0.00   -0.0018282    0.0010808   -0.0019588
 H    2.6366539   16.8288149    6.5486326  0.00    0.0046473    0.0030277   -0.0040382
 C    4.7520551   16.6932344    6.7559740  0.00   -0.0026682    0.0001424    0.0008931
 H    4.8917402   16.0836873    5.8623012  0.00    0.0007916   -0.0025726    0.0057579
 H    4.7205793   16.0225334    7.6179485  0.00   -0.0051019    0.0028054    0.0017890
 H    5.6265683   17.3396824    6.8671887  0.00   -0.0006537   -0.0061959    0.0008387
 C    3.2643292   18.3001723    7.9719829  0.00   -0.0003555    0.0002619    0.0007672
 H    4.1284825   18.9246576    8.2086791  0.00    0.0004915    0.0011495    0.0002380
 H    3.1304528   17.6105996    8.8086732  0.00   -0.0027536   -0.0029997   -0.0030427
 H    2.3915672   18.9577095    7.9324949  0.00   -0.0015118   -0.0030734   -0.0024428
 C    2.2507369   18.6891321    1.8171325  0.00   -0.0012507    0.0000807    0.0024188
 H    1.5246252   17.8846638    1.9763561  0.00    0.0053170    0.0010743    0.0006644
 C    1.5037645   19.9063540    1.2797911  0.00   -0.0000032    0.0031123   -0.0023938
 H    0.7800038   20.2996755    1.9990889  0.00   -0.0015279   -0.0024670    0.0032940
 H    0.9654464   19.6491884    0.3653584  0.00   -0.0016763   -0.0012495    0.0005619
 H    2.1882558   20.7207101    1.0343271  0.00    0.0022418    0.0021397   -0.0000767
 C    3.2623920   18.1898236    0.7843258  0.00   -0.0035858   -0.0007673   -0.0011523
 H    4.0091265   18.9596757    0.5729735  0.00   -0.0021765   -0.0069195   -0.0036507
 H    2.7624280   17.9418093   -0.1546848  0.00   -0.0054998    0.0012715    0.0003419
 H    3.7837931   17.2990633    1.1367325  0.00   -0.0015256   -0.0018864   -0.0048624
 C   -0.1864219   16.9407152    7.1214302  0.00   -0.0001935    0.0051546   -0.0020957
 H    0.6716432   17.4758845    7.5659638  0.00   -0.0035416   -0.0023533    0.0039696
 H   -1.0883708   17.4062588    7.5567191  0.00    0.0030320   -0.0015636    0.0039240
 C    1.4393282   14.3043105    7.2343262  0.00    0.0003748    0.0000153   -0.0012060
 H    1.5411344   14.2689721    6.1467279  0.00    0.0004864    0.0007562   -0.0004244
 H    1.4243955   13.2722936    7.5970291  0.00    0.0017513   -0.0023898    0.0009146
 H    2.3392216   14.7729297    7.6399451  0.00    0.0004901    0.0009690    0.0014986
 C   -0.1240127   15.2187607    9.6766756  0.00   -0.0001525    0.0009412    0.0023291
 H    0.7385527   15.7632529   10.0694959  0.00    0.0025980    0.0033976   -0.0008302
 H   -0.0859548   14.2036227   10.0818340  0.00   -0.0001205   -0.0021076    0.0050630
 H   -1.0249244   15.6972287   10.0693039  0.00   -0.0032256    0.0032079   -0.0011448
 C   -1.6119922   14.1927453    7.2294963  0.00   -0.0002752    0.0003150   -0.0011179
 H   -2.5447891   14.5938163    7.6332771  0.00   -0.0002543    0.0015819    0.0015710
 H   -1.5229233   13.1638527    7.5904628  0.00   -0.0013978   -0.0020546    0.0010670
 H   -1.7082345   14.1520628    6.1415442  0.00   -0.0004193    0.0011351   -0.0004107
129
 Energy =   -2867.2887262230
 O   -0.1351332   15.5877736    3.8448767  0.00    0.0002292    0.0094882    0.0050908
Th   -0.2030826   17.7864188    4.8900418  0.00   -0.0007247    0.0035722    0.0051729
Si   -0.1212510   15.1784037    7.8019104  0.00   -0.0008426    0.0205683   -0.0088468
 N   -2.1800683   16.9876558    4.2146054  0.00    0.0027028   -0.0109583   -0.0053982
 N    1.8219442   17.0975566    4.2402888  0.00   -0.0010860   -0.0121791   -0.0062085
 C   -2.5940139   13.1722368    2.6191874  0.00   -0.0007086    0.0031266   -0.0003499
 H   -2.6538733   12.1743334    2.2100224  0.00   -0.0088180   -0.0075816   -0.0035634
 C   -3.7613374   13.9004377    2.8105381  0.00    0.0026697    0.0068861    0.0018844
 C   -3.6676874   15.1927764    3.3411420  0.00    0.0036401   -0.0059018   -0.0018510
 H   -4.5548264   15.7969114    3.4883951  0.00   -0.0011946   -0.0072251   -0.0028895
 C   -2.4373708   15.7290526    3.6778372  0.00    0.0011469    0.0063430    0.0024204
 C    2.1555828   15.8634087    3.6912325  0.00   -0.0073370   -0.0004934    0.0013881
 C    3.4159116   15.4068449    3.3499147  0.00   -0.0013623    0.0010955    0.0005889
 H    4.2644708   16.0627323    3.5035628  0.00    0.0010968   -0.0083790   -0.0034716
 C    3.5883993   14.1245315    2.8153518  0.00   -0.0078781   -0.0018889   -0.0011998
 C    2.4676126   13.3266593    2.6212633  0.00    0.0075125    0.0090925    0.0011354
 H    2.5887506   12.3353790    2.2097897  0.00    0.0093114   -0.0084991   -0.0042302
 C   -0.0519744   12.8715086    2.7198069  0.00    0.0004093    0.0063673    0.0016615
 C   -1.3266888   13.6772086    2.9352979  0.00   -0.0018089    0.0112135    0.0025299
 C   -1.3074977   14.9406976    3.4666249  0.00    0.0059390   -0.0064842   -0.0025372
 C    1.0747541   15.0106371    3.4715213  0.00   -0.0011590    0.0085848    0.0032021
 C    1.1713981   13.7528315    2.9369177  0.00   -0.0020294   -0.0006127   -0.0018599
 C   -0.0172472   11.7134110    3.7299811  0.00    0.0003930   -0.0030001    0.0018087
 H   -0.0294533   12.0874868    4.7552497  0.00   -0.0000468    0.0024588    0.0044163
 H    0.8862407   11.1152181    3.5979322  0.00    0.0042539   -0.0031691   -0.0075692
 H   -0.8821987   11.0609753    3.5966918  0.00   -0.0039524   -0.0033526   -0.0074813
 C   -0.0344957   12.3152873    1.2902778  0.00    0.0002885   -0.0012911   -0.0008587
 H   -0.8926393   11.6669660    1.1125650  0.00   -0.0037187   -0.0057600    0.0043827
 H    0.8615946   11.7203096    1.1133176  0.00    0.0039490   -0.0054665    0.0045214
 H   -0.0587614   13.1222646    0.5561027  0.00   -0.0001323    0.0035885   -0.0018727
 C   -5.1385942   13.3446799    2.4527198  0.00    0.0028444    0.0011679    0.0005130
 C   -6.0260497   13.3326871    3.7027082  0.00   -0.0002111    0.0000884    0.0017066
 H   -5.5843288   12.7235292    4.4946018  0.00    0.0010073   -0.0072007   -0.0009622
 H   -7.0077695   12.9177952    3.4613041  0.00    0.0007259   -0.0006505    0.0007500
 H   -6.1836267   14.3374580    4.0996552  0.00   -0.0019842    0.0036437   -0.0016636
 C   -5.7833323   14.2373885    1.3855615  0.00    0.0002987    0.0012888   -0.0014257
 H   -5.9175474   15.2619626    1.7388063  0.00   -0.0023374    0.0016933    0.0030814
 H   -6.7691467   13.8494556    1.1172482  0.00    0.0011104   -0.0004338   -0.0005792
 H   -5.1739720   14.2708105    0.4793182  0.00    0.0014417   -0.0059413   -0.0036892
 C   -5.0632335   11.9224710    1.9067153  0.00    0.0013150   -0.0075561   -0.0030160
 H   -4.4733664   11.8673680    0.9890052  0.00    0.0011832    0.0024577   -0.0097095
 H   -6.0688096   11.5701127    1.6700503  0.00   -0.0056211   -0.0015268   -0.0012318
 H   -4.6357525   11.2284016    2.6339202  0.00   -0.0006579   -0.0048844    0.0084221
 C    4.9982856   13.6522208    2.4655380  0.00   -0.0025042    0.0017203    0.0007382
 C    5.6092381   14.5988903    1.4255918  0.00   -0.0000058    0.0009489   -0.0015418
 H    6.6158964   14.2660778    1.1608404  0.00   -0.0011786   -0.0006989   -0.0007020
 H    5.6901591   15.6205378    1.8027307  0.00    0.0023459    0.0014464    0.0029001
 H    5.0088318   14.6226555    0.5130863  0.00   -0.0008782   -0.0063031   -0.0038855
 C    5.8664111   13.6646245    3.7292959  0.00    0.0006234   -0.0001850    0.0016919
 H    5.4490919   13.0136900    4.5009027  0.00   -0.0004993   -0.0075333   -0.0013186
 H    5.9574440   14.6680844    4.1498799  0.00    0.0019331    0.0037009   -0.0016099
 H    6.8745065   13.3132657    3.4957230  0.00   -0.0006900   -0.0010481    0.0004175
 C    5.0082868   12.2391104    1.8917107  0.00   -0.0013316   -0.0076646   -0.0031802
 H    4.6152769   11.5075689    2.6013525  0.00    0.0010009   -0.0048853    0.0084633
 H    6.0341027   11.9488424    1.6578164  0.00    0.0062578   -0.0014354   -0.0012186
 H    4.4295030   12.1690371    0.9679567  0.00   -0.0011918    0.0026401   -0.0097374
 C   -3.1969179   17.9864918    4.2650621  0.00    0.0059415   -0.0055802    0.0016939
 C   -3.9871704   18.1515018    5.4260884  0.00    0.0057894    0.0008615   -0.0009949
 C   -4.9587511   19.1468682    5.4313463  0.00    0.0040066    0.0056406    0.0079699
 H   -5.5753777   19.2771400    6.3119987  0.00   -0.0093979    0.0025382    0.0093315
 C   -5.1687800   19.9566121    4.3331514  0.00    0.0001454    0.0022273   -0.0023237
 H   -5.9436514   20.7132704    4.3551032  0.00   -0.0010017    0.0124776    0.0037487
 C   -4.3960767   19.7892069    3.1994501  0.00    0.0065980    0.0062471    0.0072380
 H   -4.5762454   20.4213914    2.3395269  0.00   -0.0032047    0.0086644   -0.0091110
 C   -3.4052865   18.8168484    3.1355046  0.00    0.0028389    0.0009750    0.0024109
 C   -2.6563915   18.6352931    1.8312065  0.00    0.0006546    0.0019256    0.0012472
 H   -1.7651427   18.0258641    2.0270403  0.00   -0.0047700   -0.0028627    0.0011476
 C   -3.5192617   17.8678382    0.8265783  0.00    0.0042170    0.0005513    0.0012691
 H   -3.8159020   16.8925316    1.2130997  0.00    0.0035873    0.0004931   -0.0072473
 H   -2.9770186   17.7146100   -0.1094485  0.00    0.0045302    0.0016014    0.0020704
 H   -4.4260205   18.4356961    0.6009451  0.00    0.0028575   -0.0067586   -0.0044244
 C   -2.2047134   19.9590999    1.2205010  0.00    0.0010299    0.0041470   -0.0006178
 H   -3.0541889   20.5506982    0.8746024  0.00   -0.0037263    0.0028927   -0.0008870
 H   -1.5721963   19.7761930    0.3502725  0.00    0.0043440   -0.0033078   -0.0003880
 H   -1.6436822   20.5764639    1.9265113  0.00    0.0011198   -0.0046794    0.0034219
 C   -3.8772899   17.2492146    6.6356425  0.00   -0.0004207    0.0029007    0.0001670
 H   -2.9955847   16.6181262    6.5059200  0.00   -0.0039369   -0.0005204   -0.0061103
 C   -5.0944963   16.3273000    6.7292547  0.00    0.0041654    0.0013551    0.0006455
 H   -6.0129790   16.9084348    6.8461533  0.00    0.0006406   -0.0083177    0.0005167
 H   -5.0077224   15.6636731    7.5930730  0.00    0.0038014    0.0033069   -0.0007466
 H   -5.1957154   15.7062514    5.8384970  0.00   -0.0006135   -0.0021478    0.0058218
 C   -3.7209298   18.0371231    7.9354728  0.00   -0.0006294    0.0007714    0.0014677
 H   -2.9008859   18.7589011    7.8919231  0.00    0.0022103   -0.0023227   -0.0049763
 H   -3.5296217   17.3583038    8.7697373  0.00    0.0024346   -0.0036145   -0.0009223
 H   -4.6280949   18.5944952    8.1785144  0.00   -0.0018542    0.0019600   -0.0004670
 C    2.7648025   18.1656963    4.2830851  0.00   -0.0067493   -0.0064050    0.0030835
 C    2.9380371   18.9759940    3.1348981  0.00   -0.0035536    0.0015745    0.0013710
 C    3.8320278   20.0380425    3.1974409  0.00   -0.0090056    0.0047403    0.0063273
 H    3.9817889   20.6581716    2.3221940  0.00    0.0018856    0.0084608   -0.0096544
 C    4.5472389   20.3081131    4.3490161  0.00   -0.0004604    0.0029779   -0.0040021
 H    5.2463321   21.1352652    4.3734187  0.00   -0.0007640    0.0122835    0.0022952
 C    4.3836694   19.5063340    5.4615369  0.00   -0.0059728    0.0041196    0.0068355
 H    4.9633503   19.7120225    6.3527145  0.00    0.0095277    0.0041468    0.0091029
 C    3.5098627   18.4238843    5.4568831  0.00   -0.0043907    0.0029606   -0.0013727
 C    3.4684226   17.5244401    6.6726204  0.00   -0.0001923    0.0026504    0.0002176
 H    2.6349844   16.8298111    6.5488655  0.00    0.0033864    0.0006666   -0.0054337
 C    4.7505762   16.6933317    6.7566743  0.00   -0.0038518    0.0017879    0.0011345
 H    4.8903711   16.0834311    5.8631722  0.00    0.0008412   -0.0022493    0.0072362
 H    4.7193245   16.0233088    7.6193266  0.00   -0.0049272    0.0039540   -0.0001174
 H    5.6244649   17.3407271    6.8673194  0.00    0.0007331   -0.0080525    0.0010245
 C    3.2627002   18.3009044    7.9717892  0.00    0.0006244    0.0003687    0.0011778
 H    4.1273615   18.9243366    8.2093132  0.00    0.0007295    0.0013929    0.0003563
 H    3.1273376   17.6113945    8.8081762  0.00   -0.0023667   -0.0041016   -0.0015434
 H    2.3906148   18.9593200    7.9322226  0.00   -0.0013055   -0.0027869   -0.0041393
 C    2.2488879   18.6897235    1.8175844  0.00   -0.0012621    0.0021932    0.0009056
 H    1.5218803   17.8862711    1.9773111  0.00    0.0059633   -0.0017040    0.0000524
 C    1.5025458   19.9072258    1.2801995  0.00   -0.0022054    0.0046995   -0.0001790
 H    0.7787524   20.3012004    1.9992180  0.00    0.0001212   -0.0034025    0.0034251
 H    0.9639540   19.6504911    0.3659836  0.00   -0.0022521   -0.0026973   -0.0016520
 H    2.1871891   20.7211574    1.0345324  0.00    0.0042667    0.0040100   -0.0006564
 C    3.2602511   18.1899910    0.7845438  0.00   -0.0043670   -0.0018592    0.0012623
 H    4.0072712   18.9597593    0.5738307  0.00   -0.0022536   -0.0073850   -0.0041212
 H    2.7602491   17.9425524   -0.1546432  0.00   -0.0047390    0.0009559    0.0011846
 H    3.7813340   17.2990327    1.1372251  0.00   -0.0023794   -0.0009772   -0.0065074
 C   -0.1863378   16.9416173    7.1222732  0.00   -0.0003229    0.0043869   -0.0020073
 H    0.6721538   17.4765534    7.5664604  0.00   -0.0060148   -0.0028389    0.0038546
 H   -1.0885453   17.4069526    7.5574656  0.00    0.0056317   -0.0017154    0.0036046
 C    1.4390114   14.3053222    7.2344715  0.00    0.0005777   -0.0010984    0.0007204
 H    1.5409403   14.2699383    6.1470853  0.00    0.0002250    0.0007521   -0.0037975
 H    1.4237039   13.2733705    7.5970434  0.00    0.0027682   -0.0042299    0.0014495
 H    2.3389096   14.7737643    7.6400143  0.00    0.0015255    0.0012759    0.0025040
 C   -0.1241983   15.2205827    9.6764014  0.00   -0.0000506   -0.0008762    0.0038857
 H    0.7380545   15.7650733   10.0695583  0.00    0.0051523    0.0030386   -0.0011758
 H   -0.0861164   14.2051676   10.0804426  0.00   -0.0000786   -0.0036883    0.0092956
 H   -1.0247908   15.6990723   10.0693823  0.00   -0.0057429    0.0026556   -0.0015437
 C   -1.6119434   14.1939193    7.2295764  0.00   -0.0002729   -0.0010076    0.0008747
 H   -2.5448460   14.5946110    7.6332207  0.00   -0.0010826    0.0018606    0.0026863
 H   -1.5221572   13.1652202    7.5906161  0.00   -0.0026626   -0.0042198    0.0014768
 H   -1.7083149   14.1529489    6.1418432  0.00    0.0000372    0.0011684   -0.0036931
129
 Energy =   -2867.2887667650
 O   -0.1348785   15.5857640    3.8446354  0.00   -0.0003706   -0.0055504   -0.0020999
Th   -0.2027280   17.7827815    4.8903605  0.00   -0.0006213    0.0129698   -0.0023417
Si   -0.1214853   15.1806721    7.8021970  0.00   -0.0009834    0.0265538   -0.0093799
 N   -2.1801369   16.9845425    4.2138484  0.00    0.0032736   -0.0066129   -0.0041969
 N    1.8226496   17.0942743    4.2395029  0.00   -0.0030428   -0.0080642   -0.0046706
 C   -2.5942669   13.1699806    2.6181126  0.00    0.0023618   -0.0021667   -0.0024419
 H   -2.6545026   12.1722142    2.2085173  0.00   -0.0071910   -0.0074716   -0.0032361
 C   -3.7616527   13.8976958    2.8095491  0.00    0.0086076    0.0078025    0.0019652
 C   -3.6672954   15.1896278    3.3403487  0.00    0.0098736   -0.0035610   -0.0021610
 H   -4.5536951   15.7939399    3.4872677  0.00   -0.0092402   -0.0016457   -0.0007242
 C   -2.4368900   15.7259473    3.6768166  0.00   -0.0041486    0.0093813    0.0029077
 C    2.1556507   15.8601651    3.6899296  0.00   -0.0062668    0.0067589    0.0044120
 C    3.4158404   15.4037423    3.3489798  0.00   -0.0018476   -0.0049768   -0.0035174
 H    4.2635952   16.0598046    3.5023997  0.00    0.0091143   -0.0026014   -0.0013465
 C    3.5890857   14.1215546    2.8141289  0.00   -0.0139034    0.0068002    0.0019706
 C    2.4682026   13.3244117    2.6199986  0.00    0.0036238   -0.0002283   -0.0018320
 H    2.5896001   12.3331606    2.2082415  0.00    0.0078402   -0.0077831   -0.0038234
 C   -0.0518248   12.8688308    2.7182999  0.00    0.0006626    0.0089602    0.0025094
 C   -1.3267304   13.6747929    2.9341743  0.00    0.0054620    0.0023870   -0.0013759
 C   -1.3067774   14.9379602    3.4655593  0.00   -0.0031061    0.0034362    0.0026647
 C    1.0744475   15.0079627    3.4703268  0.00    0.0074561    0.0101897    0.0049274
 C    1.1717929   13.7502783    2.9356320  0.00   -0.0096299   -0.0022141   -0.0027640
 C   -0.0171071   11.7102791    3.7278191  0.00   -0.0001703   -0.0017956    0.0043107
 H   -0.0293093   12.0830746    4.7535381  0.00   -0.0000520    0.0040249    0.0043602
 H    0.8864312   11.1123956    3.5953060  0.00    0.0045065   -0.0046573   -0.0079108
 H   -0.8822405   11.0582724    3.5939922  0.00   -0.0037580   -0.0047848   -0.0076545
 C   -0.0343730   12.3114726    1.2893109  0.00   -0.0004384   -0.0005597   -0.0020519
 H   -0.8926072   11.6629203    1.1129997  0.00   -0.0034901   -0.0065537    0.0033434
 H    0.8616938   11.7161873    1.1135648  0.00    0.0042151   -0.0064470    0.0037147
 H   -0.0586133   13.1167102    0.5531774  0.00   -0.0001967    0.0050695    0.0005755
 C   -5.1387205   13.3425144    2.4516824  0.00    0.0098226    0.0015881    0.0010727
 C   -6.0257551   13.3310399    3.7014360  0.00    0.0001214    0.0022207    0.0042255
 H   -5.5843528   12.7222691    4.4935891  0.00    0.0014813   -0.0105196   -0.0002135
 H   -7.0072585   12.9166665    3.4593299  0.00   -0.0034706   -0.0013563    0.0029616
 H   -6.1822343   14.3358542    4.0984730  0.00   -0.0043315    0.0050681   -0.0020964
 C   -5.7831496   14.2354590    1.3850899  0.00    0.0003246    0.0042368   -0.0012516
 H   -5.9166170   15.2600208    1.7384131  0.00   -0.0044698    0.0024572    0.0043087
 H   -6.7688475   13.8471609    1.1178120  0.00   -0.0026319    0.0009874   -0.0034617
 H   -5.1743804   14.2695740    0.4786935  0.00    0.0030147   -0.0082497   -0.0062750
 C   -5.0648995   11.9204838    1.9055708  0.00    0.0009192   -0.0080800   -0.0027873
 H   -4.4758342   11.8639739    0.9875741  0.00    0.0014069    0.0043305   -0.0119762
 H   -6.0716192   11.5710276    1.6699964  0.00   -0.0057272   -0.0062162   -0.0030366
 H   -4.6380193   11.2253075    2.6319393  0.00   -0.0012641   -0.0048591    0.0109181
 C    4.9986540   13.6498501    2.4643852  0.00   -0.0087786    0.0008338    0.0008548
 C    5.6093015   14.5966787    1.4249734  0.00   -0.0007962    0.0043545   -0.0010481
 H    6.6158340   14.2634858    1.1612835  0.00    0.0028581    0.0008897   -0.0036850
 H    5.6894013   15.6182841    1.8022020  0.00    0.0045459    0.0021721    0.0040278
 H    5.0093944   14.6211757    0.5123657  0.00   -0.0020940   -0.0087061   -0.0065021
 C    5.8663741   13.6627463    3.7279108  0.00   -0.0003672    0.0022363    0.0042163
 H    5.4493490   13.0122556    4.4998319  0.00   -0.0007927   -0.0108989   -0.0007099
 H    5.9563019   14.6662136    4.1485089  0.00    0.0042387    0.0051709   -0.0019671
 H    6.8742128   13.3119042    3.4936378  0.00    0.0037237   -0.0016544    0.0026004
 C    5.0102039   12.2369760    1.8904911  0.00    0.0001149   -0.0080910   -0.0030670
 H    4.6179566   11.5043088    2.5992508  0.00    0.0015523   -0.0048008    0.0111334
 H    6.0370927   11.9498583    1.6578057  0.00    0.0060725   -0.0063265   -0.0031146
 H    4.4323594   12.1654292    0.9664054  0.00   -0.0014979    0.0047330   -0.0119743
 C   -3.1959214   17.9847562    4.2647152  0.00    0.0104174    0.0006332   -0.0040517
 C   -3.9846945   18.1517458    5.4262293  0.00    0.0016493    0.0025791    0.0063559
 C   -4.9544228   19.1491902    5.4328779  0.00    0.0035960   -0.0022994    0.0047026
 H   -5.5718506   19.2799733    6.3130658  0.00   -0.0048789    0.0018119    0.0089060
 C   -5.1635493   19.9589682    4.3347098  0.00   -0.0100171    0.0152007    0.0087124
 H   -5.9369658   20.7175080    4.3578071  0.00    0.0015047    0.0083965    0.0026950
 C   -4.3911280   19.7923699    3.2013813  0.00    0.0105512   -0.0002919   -0.0061675
 H   -4.5717396   20.4260037    2.3421127  0.00    0.0017436    0.0039705   -0.0044850
 C   -3.4023954   18.8176320    3.1361821  0.00    0.0018793    0.0012345    0.0063365
 C   -2.6527162   18.6368694    1.8325561  0.00    0.0010616    0.0043060   -0.0006532
 H   -1.7609063   18.0288744    2.0292337  0.00   -0.0030326   -0.0074540    0.0005737
 C   -3.5146231   17.8691698    0.8271947  0.00    0.0044339    0.0032089    0.0015675
 H   -3.8110191   16.8935598    1.2132162  0.00    0.0050219    0.0001768   -0.0082821
 H   -2.9725772   17.7176763   -0.1093948  0.00    0.0032754    0.0005909    0.0048301
 H   -4.4217554   18.4370020    0.6029072  0.00    0.0027064   -0.0075164   -0.0058951
 C   -2.2012551   19.9610251    1.2224737  0.00    0.0020647    0.0036289   -0.0015639
 H   -3.0506609   20.5520729    0.8759698  0.00   -0.0053120    0.0045650   -0.0018630
 H   -1.5678792   19.7784156    0.3528872  0.00    0.0038102   -0.0037787   -0.0019490
 H   -1.6405318   20.5787921    1.9283757  0.00   -0.0005008   -0.0054158    0.0049837
 C   -3.8743173   17.2500771    6.6360534  0.00    0.0025120    0.0027455   -0.0003063
 H   -2.9919214   16.6200377    6.5066235  0.00   -0.0045020   -0.0032973   -0.0070066
 C   -5.0912063   16.3279082    6.7301120  0.00    0.0044384    0.0015454    0.0003951
 H   -6.0088327   16.9104571    6.8458462  0.00   -0.0024894   -0.0100561    0.0015453
 H   -5.0052811   15.6651524    7.5948735  0.00    0.0036323    0.0047055   -0.0033424
 H   -5.1927552   15.7063594    5.8395585  0.00    0.0004440   -0.0012560    0.0082027
 C   -3.7179183   18.0383516    7.9355475  0.00   -0.0004728   -0.0000927    0.0039589
 H   -2.8984805   18.7608828    7.8926243  0.00    0.0013601   -0.0021273   -0.0078377
 H   -3.5251527   17.3594848    8.7693665  0.00    0.0011327   -0.0043479    0.0005807
 H   -4.6255679   18.5944655    8.1792582  0.00   -0.0026109    0.0029418    0.0003866
 C    2.7640888   18.1637632    4.2825277  0.00   -0.0085081    0.0043792   -0.0032737
 C    2.9347398   18.9769186    3.1352762  0.00   -0.0071460   -0.0046712    0.0072745
 C    3.8259928   20.0412184    3.1990119  0.00   -0.0069195    0.0031405   -0.0064609
 H    3.9756466   20.6632189    2.3244929  0.00   -0.0027650    0.0026229   -0.0043319
 C    4.5414353   20.3105662    4.3500438  0.00    0.0057003    0.0127218    0.0089407
 H    5.2387957   21.1394750    4.3753178  0.00   -0.0025865    0.0087544    0.0013234
 C    4.3791796   19.5085637    5.4626958  0.00   -0.0014503    0.0015793   -0.0002588
 H    4.9598407   19.7149520    6.3532875  0.00    0.0046020    0.0027086    0.0083011
 C    3.5078449   18.4241342    5.4566772  0.00   -0.0059213   -0.0001584    0.0053676
 C    3.4655520   17.5253973    6.6728695  0.00   -0.0022488    0.0032356   -0.0002398
 H    2.6314921   16.8317169    6.5492700  0.00    0.0029551   -0.0022483   -0.0064689
 C    4.7472007   16.6938576    6.7581631  0.00   -0.0039779    0.0020843    0.0007103
 H    4.8874693   16.0829471    5.8652484  0.00    0.0000003   -0.0013024    0.0094171
 H    4.7164869   16.0252036    7.6221000  0.00   -0.0050745    0.0056001   -0.0027532
 H    5.6200570   17.3426448    6.8675791  0.00    0.0048314   -0.0096730    0.0019091
 C    3.2592899   18.3025840    7.9714470  0.00   -0.0001755   -0.0011723    0.0035922
 H    4.1250351   18.9237338    8.2106445  0.00    0.0012119    0.0023549    0.0010182
 H    3.1204782   17.6130643    8.8072320  0.00   -0.0005044   -0.0042362   -0.0001924
 H    2.3885875   18.9628351    7.9313154  0.00   -0.0003660   -0.0024584   -0.0066434
 C    2.2447352   18.6911810    1.8185250  0.00   -0.0009186    0.0051748   -0.0009617
 H    1.5161736   17.8894928    1.9791420  0.00    0.0064229   -0.0061768   -0.0009194
 C    1.4997579   19.9094208    1.2810708  0.00   -0.0042605    0.0047633   -0.0001980
 H    0.7760979   20.3044246    1.9996670  0.00    0.0018767   -0.0037052    0.0045618
 H    0.9605535   19.6532468    0.3671604  0.00   -0.0018486   -0.0039022   -0.0032938
 H    2.1851391   20.7223398    1.0349198  0.00    0.0057199    0.0062664   -0.0011724
 C    3.2554774   18.1902916    0.7853160  0.00   -0.0052463    0.0010049    0.0010978
 H    4.0032339   18.9597445    0.5756102  0.00   -0.0029683   -0.0083564   -0.0046635
 H    2.7555129   17.9442084   -0.1543865  0.00   -0.0035510    0.0000670    0.0035354
 H    3.7759789   17.2991030    1.1381166  0.00   -0.0029825   -0.0026090   -0.0074154
 C   -0.1862005   16.9438027    7.1237177  0.00   -0.0002943    0.0028534   -0.0032235
 H    0.6729511   17.4780269    7.5673769  0.00   -0.0082339   -0.0022885    0.0042597
 H   -1.0886253   17.4086189    7.5588901  0.00    0.0076541   -0.0007194    0.0037055
 C    1.4383722   14.3075084    7.2348034  0.00    0.0001432   -0.0039680    0.0021723
 H    1.5405069   14.2720268    6.1476117  0.00   -0.0000772    0.0007299   -0.0067581
 H    1.4223155   13.2754604    7.5971719  0.00    0.0039128   -0.0038137    0.0015508
 H    2.3383292   14.7755742    7.6402597  0.00    0.0032404    0.0015586    0.0039157
 C   -0.1245925   15.2244047    9.6760709  0.00    0.0000999   -0.0050352    0.0053327
 H    0.7372773   15.7689939   10.0696535  0.00    0.0078935    0.0014184   -0.0016953
 H   -0.0864582   14.2082006   10.0780910  0.00   -0.0001688   -0.0022324    0.0149500
 H   -1.0248040   15.7030222   10.0695028  0.00   -0.0082894    0.0007938   -0.0021804
 C   -1.6118598   14.1964093    7.2297840  0.00    0.0003357   -0.0040553    0.0023727
 H   -2.5450217   14.5963525    7.6332146  0.00   -0.0022186    0.0020473    0.0042455
 H   -1.5206488   13.1678875    7.5910272  0.00   -0.0046418   -0.0046205    0.0013542
 H   -1.7084383   14.1548778    6.1422541  0.00    0.0006886    0.0012204   -0.0063798
129
 Energy =   -2867.2888087640
 O   -0.1347003   15.5842484    3.8445392  0.00   -0.0005164   -0.0108709   -0.0043047
Th   -0.2024541   17.7804626    4.8909356  0.00   -0.0012246    0.0160131   -0.0129935
Si   -0.1217030   15.1835482    7.8020223  0.00   -0.0004507    0.0137592   -0.0033729
 N   -2.1799337   16.9819284    4.2131533  0.00   -0.0001643    0.0039627   -0.0011301
 N    1.8229096   17.0914090    4.2387922  0.00    0.0001319    0.0062393   -0.0001057
 C   -2.5944120   13.1681585    2.6171112  0.00    0.0101996   -0.0096827   -0.0050292
 H   -2.6557943   12.1702630    2.2071597  0.00   -0.0035878   -0.0029588   -0.0012263
 C   -3.7615272   13.8956984    2.8087732  0.00    0.0111337    0.0039856    0.0005328
 C   -3.6662627   15.1870576    3.3397340  0.00   -0.0135337    0.0025088   -0.0036298
 H   -4.5532417   15.7911445    3.4861839  0.00   -0.0043588   -0.0021375    0.0001582
 C   -2.4366284   15.7235161    3.6759725  0.00    0.0034958    0.0188884    0.0073518
 C    2.1557030   15.8577766    3.6890215  0.00   -0.0116691    0.0073246    0.0049631
 C    3.4152260   15.4008171    3.3480868  0.00    0.0177585    0.0160015    0.0012080
 H    4.2634236   16.0570972    3.5012798  0.00    0.0031862   -0.0057360   -0.0012269
 C    3.5892797   14.1197391    2.8132965  0.00   -0.0181687   -0.0117760   -0.0051113
 C    2.4686375   13.3223778    2.6187579  0.00   -0.0047620    0.0018113    0.0000271
 H    2.5911151   12.3312096    2.2068477  0.00    0.0044693   -0.0063809   -0.0031497
 C   -0.0517116   12.8671809    2.7172636  0.00    0.0006679    0.0013158   -0.0003549
 C   -1.3265054   13.6728126    2.9331025  0.00    0.0017657    0.0124831    0.0028793
 C   -1.3063068   14.9364632    3.4649731  0.00   -0.0033687   -0.0164365   -0.0048496
 C    1.0742657   15.0061990    3.4695253  0.00    0.0101469    0.0032255    0.0026677
 C    1.1718011   13.7484317    2.9345371  0.00   -0.0030094   -0.0040117   -0.0039874
 C   -0.0170055   11.7077262    3.7262232  0.00    0.0003548   -0.0014161    0.0017925
 H   -0.0291884   12.0796195    4.7523566  0.00   -0.0000033    0.0030295    0.0030467
 H    0.8868112   11.1100532    3.5924973  0.00    0.0003906   -0.0029109   -0.0059839
 H   -0.8824671   11.0560224    3.5911419  0.00   -0.0001229   -0.0031123   -0.0057631
 C   -0.0343027   12.3083955    1.2885060  0.00    0.0003741   -0.0010835    0.0005005
 H   -0.8927509   11.6593883    1.1139031  0.00   -0.0008306   -0.0047791    0.0020457
 H    0.8619819   11.7125993    1.1143367  0.00    0.0009201   -0.0045310    0.0025927
 H   -0.0584976   13.1124293    0.5508802  0.00   -0.0002187    0.0036906    0.0026118
 C   -5.1384427   13.3407804    2.4508681  0.00    0.0099509    0.0011114    0.0009982
 C   -6.0254677   13.3297742    3.7005637  0.00    0.0015752    0.0007148    0.0043403
 H   -5.5842628   12.7206532    4.4926733  0.00    0.0003017   -0.0095772   -0.0007705
 H   -7.0069003   12.9156700    3.4578083  0.00   -0.0044127   -0.0006794    0.0047108
 H   -6.1812648   14.3347900    4.0973869  0.00   -0.0052317    0.0042560   -0.0016181
 C   -5.7829408   14.2340427    1.3846573  0.00    0.0020237    0.0029656   -0.0024220
 H   -5.9160354   15.2585467    1.7383054  0.00   -0.0050849    0.0021803    0.0036443
 H   -6.7686145   13.8452628    1.1181753  0.00   -0.0037436    0.0027860   -0.0047243
 H   -5.1745403   14.2680614    0.4778852  0.00    0.0018605   -0.0081058   -0.0049380
 C   -5.0661544   11.9184474    1.9044944  0.00    0.0012566   -0.0042210   -0.0017929
 H   -4.4777690   11.8614701    0.9857829  0.00   -0.0010226    0.0037129   -0.0080226
 H   -6.0741696   11.5716091    1.6698522  0.00   -0.0017945   -0.0085766   -0.0035202
 H   -4.6399278   11.2225534    2.6309065  0.00   -0.0028438   -0.0028153    0.0075200
 C    4.9985961   13.6478732    2.4634502  0.00   -0.0087727    0.0027710    0.0016370
 C    5.6092681   14.5950366    1.4244287  0.00   -0.0016072    0.0021253   -0.0024416
 H    6.6158137   14.2613135    1.1615390  0.00    0.0035639    0.0030535   -0.0049388
 H    5.6889684   15.6165339    1.8019580  0.00    0.0052550    0.0023800    0.0035419
 H    5.0097320   14.6194270    0.5114623  0.00   -0.0010101   -0.0085304   -0.0053230
 C    5.8662818   13.6612928    3.7269523  0.00   -0.0012222    0.0000024    0.0036448
 H    5.4494931   13.0104669    4.4988370  0.00    0.0002985   -0.0098451   -0.0012103
 H    5.9555419   14.6649245    4.1472807  0.00    0.0051981    0.0046299   -0.0014212
 H    6.8740478   13.3106840    3.4919886  0.00    0.0042889   -0.0007843    0.0046158
 C    5.0117384   12.2348236    1.8893394  0.00   -0.0016879   -0.0045925   -0.0019008
 H    4.6202061   11.5014282    2.5981389  0.00    0.0032751   -0.0023256    0.0075724
 H    6.0397937   11.9505288    1.6577083  0.00    0.0025634   -0.0092078   -0.0038446
 H    4.4345957   12.1627766    0.9645168  0.00    0.0012680    0.0042791   -0.0077080
 C   -3.1947440   17.9834052    4.2643384  0.00    0.0049333    0.0077637    0.0015106
 C   -3.9827580   18.1522979    5.4266467  0.00    0.0072779    0.0006542    0.0019962
 C   -4.9506862   19.1514097    5.4346293  0.00   -0.0085381    0.0030428   -0.0011948
 H   -5.5697150   19.2824039    6.3143341  0.00    0.0041777   -0.0002715    0.0040380
 C   -5.1597036   19.9618603    4.3364628  0.00    0.0064568    0.0081000    0.0072174
 H   -5.9315303   20.7216892    4.3602534  0.00   -0.0017403    0.0099900    0.0025179
 C   -4.3865553   19.7953990    3.2029130  0.00   -0.0071217    0.0040450   -0.0004214
 H   -4.5684541   20.4300667    2.3439478  0.00    0.0086211   -0.0025048    0.0021592
 C   -3.4001062   18.8185179    3.1369732  0.00    0.0071173   -0.0005993    0.0038474
 C   -2.6499967   18.6383433    1.8336416  0.00    0.0042229    0.0024646   -0.0003537
 H   -1.7579402   18.0308743    2.0311264  0.00   -0.0029917   -0.0078883   -0.0004236
 C   -3.5106378   17.8702807    0.8276525  0.00    0.0029069    0.0032420    0.0007464
 H   -3.8067958   16.8941756    1.2125723  0.00    0.0066580   -0.0003902   -0.0074135
 H   -2.9684853   17.7202776   -0.1091125  0.00    0.0035527    0.0000837    0.0052538
 H   -4.4182510   18.4373282    0.6038174  0.00    0.0011699   -0.0059435   -0.0068007
 C   -2.1984766   19.9626566    1.2239371  0.00    0.0003917    0.0023589   -0.0029475
 H   -3.0481052   20.5533914    0.8769640  0.00   -0.0020396    0.0038791   -0.0016265
 H   -1.5642006   19.7798270    0.3549899  0.00    0.0019979   -0.0028454   -0.0020870
 H   -1.6379571   20.5801648    1.9301576  0.00   -0.0017159   -0.0042835    0.0055161
 C   -3.8720080   17.2509633    6.6362322  0.00    0.0028770    0.0011237    0.0018765
 H   -2.9894102   16.6214707    6.5065438  0.00   -0.0030725   -0.0050431   -0.0066579
 C   -5.0883591   16.3283798    6.7308279  0.00    0.0023248    0.0024972    0.0004891
 H   -6.0057536   16.9112226    6.8457357  0.00   -0.0050927   -0.0093013    0.0024474
 H   -5.0028216   15.6666255    7.5962988  0.00    0.0041101    0.0038789   -0.0026580
 H   -5.1904444   15.7060843    5.8409374  0.00    0.0021642   -0.0018918    0.0070091
 C   -3.7155812   18.0392905    7.9356971  0.00    0.0003219   -0.0013809    0.0034253
 H   -2.8964029   18.7621448    7.8926837  0.00    0.0001401   -0.0013571   -0.0085200
 H   -3.5214830   17.3600733    8.7688890  0.00   -0.0002603   -0.0039422    0.0020095
 H   -4.6236601   18.5946041    8.1797995  0.00   -0.0012285    0.0024681    0.0013295
 C    2.7631594   18.1624175    4.2820061  0.00   -0.0069747    0.0072033    0.0027267
 C    2.9318076   18.9776366    3.1358940  0.00   -0.0054032    0.0027693    0.0026491
 C    3.8205819   20.0443672    3.2001627  0.00    0.0040222    0.0011373    0.0011105
 H    3.9709239   20.6675486    2.3260607  0.00   -0.0084997   -0.0028958    0.0007155
 C    4.5369066   20.3134338    4.3513302  0.00   -0.0066335    0.0098779    0.0032602
 H    5.2325800   21.1436072    4.3769321  0.00   -0.0006266    0.0095261    0.0015078
 C    4.3753573   19.5109268    5.4638889  0.00    0.0064989   -0.0003765   -0.0003662
 H    4.9577297   19.7175704    6.3540941  0.00   -0.0049124   -0.0002450    0.0016065
 C    3.5060368   18.4246002    5.4567750  0.00   -0.0068044    0.0026133    0.0020920
 C    3.4633420   17.5264302    6.6729252  0.00   -0.0037272    0.0006983    0.0014286
 H    2.6290421   16.8332510    6.5490067  0.00    0.0017877   -0.0039826   -0.0060697
 C    4.7443008   16.6943095    6.7594284  0.00   -0.0015875    0.0033224    0.0008424
 H    4.8852449   16.0821856    5.8675558  0.00   -0.0013766   -0.0020468    0.0077989
 H    4.7136027   16.0270666    7.6243788  0.00   -0.0055614    0.0050899   -0.0021175
 H    5.6168989   17.3433803    6.8679761  0.00    0.0076276   -0.0090591    0.0026262
 C    3.2566257   18.3038030    7.9712801  0.00   -0.0006759   -0.0015617    0.0030337
 H    4.1232144   18.9233788    8.2117570  0.00   -0.0001874    0.0015844    0.0018091
 H    3.1149780   17.6139479    8.8062398  0.00    0.0009961   -0.0040181    0.0016589
 H    2.3868621   18.9652239    7.9302443  0.00    0.0003992   -0.0012578   -0.0073167
 C    2.2415935   18.6926377    1.8192500  0.00   -0.0049216    0.0007318   -0.0003050
 H    1.5121681   17.8917269    1.9806554  0.00    0.0069730   -0.0059142   -0.0025938
 C    1.4974550   19.9113481    1.2817127  0.00   -0.0016143    0.0044117   -0.0021551
 H    0.7740805   20.3066035    2.0003314  0.00    0.0023855   -0.0021523    0.0050864
 H    0.9577587   19.6551842    0.3679975  0.00   -0.0004400   -0.0032385   -0.0024988
 H    2.1838132   20.7235610    1.0351965  0.00    0.0024766    0.0047097   -0.0007390
 C    3.2513740   18.1904529    0.7858727  0.00   -0.0035382    0.0007800    0.0005836
 H    3.9999623   18.9589994    0.5764194  0.00   -0.0015987   -0.0060237   -0.0051690
 H    2.7511786   17.9455763   -0.1540190  0.00   -0.0038124   -0.0008323    0.0040506
 H    3.7715464   17.2988196    1.1381303  0.00   -0.0049579   -0.0031038   -0.0070621
 C   -0.1861364   16.9458274    7.1247551  0.00   -0.0003615    0.0037847   -0.0038250
 H    0.6732050   17.4790080    7.5686584  0.00   -0.0067014    0.0000682    0.0050154
 H   -1.0883841   17.4098322    7.5605259  0.00    0.0060241    0.0015336    0.0042014
 C    1.4379150   14.3090863    7.2351225  0.00    0.0007674   -0.0015380   -0.0001593
 H    1.5402685   14.2737030    6.1477418  0.00   -0.0001913    0.0004853   -0.0038675
 H    1.4214573   13.2769174    7.5973428  0.00    0.0035268   -0.0020823    0.0014738
 H    2.3379919   14.7770893    7.6406552  0.00    0.0023494    0.0001289    0.0033716
 C   -0.1249081   15.2272872    9.6760708  0.00    0.0000331   -0.0028270    0.0044672
 H    0.7369905   15.7723084   10.0695863  0.00    0.0057487   -0.0019279   -0.0023821
 H   -0.0867500   14.2105498   10.0770249  0.00   -0.0003040    0.0007792    0.0168499
 H   -1.0251949   15.7063352   10.0694086  0.00   -0.0058563   -0.0024014   -0.0029438
 C   -1.6118087   14.1982445    7.2300147  0.00   -0.0003505   -0.0018464    0.0000595
 H   -2.5452151   14.5978939    7.6334352  0.00   -0.0009818    0.0006954    0.0038574
 H   -1.5197047   13.1698009    7.5914242  0.00   -0.0050080   -0.0034645    0.0011257
 H   -1.7086018   14.1564790    6.1423081  0.00    0.0010131    0.0009558   -0.0033833
129
 Energy =   -2867.2888490290
 O   -0.1345296   15.5820635    3.8442330  0.00    0.0007933   -0.0151139   -0.0060105
Th   -0.2021867   17.7786868    4.8907398  0.00   -0.0013356    0.0165677   -0.0214748
Si   -0.1219662   15.1872584    7.8017302  0.00    0.0003854   -0.0064660    0.0037993
 N   -2.1796308   16.9794392    4.2123505  0.00    0.0031198    0.0122372    0.0032889
 N    1.8230596   17.0887582    4.2380239  0.00   -0.0038095    0.0140264    0.0045578
 C   -2.5939665   13.1656716    2.6157567  0.00    0.0064186   -0.0071030   -0.0045258
 H   -2.6573728   12.1678657    2.2055611  0.00    0.0021095   -0.0011108   -0.0002160
 C   -3.7607910   13.8934318    2.8078266  0.00    0.0085862    0.0008331   -0.0010617
 C   -3.6657195   15.1845295    3.3389540  0.00   -0.0055579    0.0033227   -0.0035139
 H   -4.5528173   15.7877901    3.4849467  0.00   -0.0092324    0.0033105    0.0020787
 C   -2.4360471   15.7214119    3.6752889  0.00   -0.0055702    0.0113624    0.0031019
 C    2.1554691   15.8554517    3.6882173  0.00    0.0004912    0.0044775    0.0015443
 C    3.4151559   15.3983180    3.3471650  0.00    0.0058758    0.0084703   -0.0010106
 H    4.2633343   16.0536910    3.4999408  0.00    0.0103362    0.0016903    0.0011458
 C    3.5887911   14.1171962    2.8121065  0.00   -0.0109948   -0.0055375   -0.0031997
 C    2.4684883   13.3199875    2.6173263  0.00   -0.0003731   -0.0067832   -0.0041000
 H    2.5930008   12.3286833    2.2051310  0.00   -0.0018864    0.0001801   -0.0001060
 C   -0.0515881   12.8652699    2.7160608  0.00    0.0014581   -0.0069713   -0.0023066
 C   -1.3262416   13.6708209    2.9318742  0.00    0.0031872    0.0039260    0.0007709
 C   -1.3058787   14.9341875    3.4641679  0.00   -0.0068685   -0.0115791   -0.0031948
 C    1.0742254   15.0039210    3.4686039  0.00    0.0112201    0.0028573    0.0026297
 C    1.1719367   13.7462485    2.9331170  0.00   -0.0084431   -0.0055472   -0.0025174
 C   -0.0168734   11.7046987    3.7245239  0.00    0.0002251    0.0010057   -0.0025787
 H   -0.0290531   12.0758501    4.7510822  0.00    0.0001139    0.0006538    0.0007509
 H    0.8871894   11.1072054    3.5891709  0.00   -0.0040783   -0.0004648   -0.0030860
 H   -0.8826611   11.0532692    3.5877781  0.00    0.0041593   -0.0005291   -0.0028115
 C   -0.0342057   12.3047884    1.2875443  0.00    0.0001946   -0.0015330    0.0039419
 H   -0.8929006   11.6551514    1.1148487  0.00    0.0029535   -0.0015553    0.0006063
 H    0.8622950   11.7083106    1.1151632  0.00   -0.0030115   -0.0015160    0.0012983
 H   -0.0583774   13.1077196    0.5484650  0.00   -0.0001609    0.0010483    0.0046402
 C   -5.1377806   13.3388345    2.4499679  0.00    0.0047684   -0.0008841    0.0001413
 C   -6.0250600   13.3283630    3.6998039  0.00    0.0003551   -0.0021733   -0.0001155
 H   -5.5841964   12.7184182    4.4915812  0.00   -0.0007877   -0.0070184   -0.0004070
 H   -7.0067597   12.9145180    3.4563806  0.00   -0.0006406    0.0016213    0.0065957
 H   -6.1804458   14.3337510    4.0960700  0.00   -0.0049321    0.0017187   -0.0002477
 C   -5.7826038   14.2325763    1.3840324  0.00    0.0004243   -0.0017087   -0.0019663
 H   -5.9156423   15.2569511    1.7383458  0.00   -0.0043128    0.0009672    0.0012838
 H   -6.7685795   13.8433133    1.1182965  0.00   -0.0003092    0.0055404   -0.0042931
 H   -5.1746779   14.2659883    0.4767769  0.00    0.0005836   -0.0061734   -0.0030777
 C   -5.0675267   11.9159682    1.9031983  0.00   -0.0001495    0.0010383   -0.0002768
 H   -4.4800662   11.8587970    0.9834550  0.00   -0.0035939    0.0018917   -0.0016203
 H   -6.0770828   11.5717478    1.6694858  0.00    0.0054459   -0.0089820   -0.0029719
 H   -4.6422671   11.2193491    2.6300216  0.00   -0.0040478    0.0000986    0.0014676
 C    4.9982231   13.6457139    2.4624359  0.00   -0.0047045   -0.0007330    0.0001048
 C    5.6091513   14.5932763    1.4236789  0.00    0.0002822   -0.0019296   -0.0022912
 H    6.6160090   14.2590770    1.1615284  0.00    0.0001030    0.0056453   -0.0045168
 H    5.6887536   15.6146412    1.8018443  0.00    0.0046781    0.0012205    0.0010491
 H    5.0101076   14.6170724    0.5102290  0.00    0.0001964   -0.0066175   -0.0033690
 C    5.8661090   13.6596377    3.7260627  0.00    0.0001563   -0.0024389   -0.0003156
 H    5.4497149   13.0080316    4.4976398  0.00    0.0012926   -0.0070592   -0.0010063
 H    5.9549572   14.6636532    4.1458113  0.00    0.0051168    0.0018181   -0.0001237
 H    6.8741189   13.3092797    3.4904203  0.00    0.0003716    0.0013079    0.0065163
 C    5.0134210   12.2321940    1.8879531  0.00   -0.0000226    0.0012176   -0.0001006
 H    4.6229529   11.4981058    2.5971678  0.00    0.0043177    0.0007737    0.0016612
 H    6.0429182   11.9507236    1.6573718  0.00   -0.0048456   -0.0103032   -0.0034745
 H    4.4372485   12.1599639    0.9620944  0.00    0.0039127    0.0025451   -0.0013232
 C   -3.1930637   17.9821277    4.2641442  0.00   -0.0026273    0.0187502    0.0035399
 C   -3.9802903   18.1529113    5.4271514  0.00    0.0056204    0.0045779   -0.0002969
 C   -4.9467699   19.1539445    5.4364516  0.00   -0.0090491   -0.0013350   -0.0028503
 H   -5.5668325   19.2850694    6.3159730  0.00    0.0115742   -0.0017834   -0.0007071
 C   -5.1548184   19.9653233    4.3386644  0.00    0.0067420    0.0109966    0.0057353
 H   -5.9254969   20.7267420    4.3630694  0.00    0.0015910    0.0058169    0.0025378
 C   -4.3817777   19.7988794    3.2048091  0.00   -0.0072527   -0.0033274    0.0004387
 H   -4.5640471   20.4344320    2.3461231  0.00    0.0128901   -0.0063260    0.0069097
 C   -3.3971755   18.8194671    3.1378388  0.00    0.0025825    0.0056702    0.0053606
 C   -2.6466111   18.6401105    1.8349031  0.00    0.0043425   -0.0001176   -0.0017739
 H   -1.7545566   18.0327941    2.0331693  0.00   -0.0020653   -0.0072771   -0.0018418
 C   -3.5059739   17.8717790    0.8282200  0.00    0.0007781   -0.0002656    0.0015048
 H   -3.8016861   16.8949275    1.2116953  0.00    0.0082939   -0.0001556   -0.0058851
 H   -2.9637567   17.7232155   -0.1085426  0.00    0.0054168   -0.0001256    0.0031892
 H   -4.4141780   18.4375989    0.6047235  0.00   -0.0014067   -0.0028299   -0.0076408
 C   -2.1953125   19.9646275    1.2253921  0.00    0.0010956    0.0015031    0.0002816
 H   -3.0452361   20.5550565    0.8780356  0.00    0.0019583    0.0024886   -0.0013333
 H   -1.5599215   19.7814471    0.3572951  0.00   -0.0000284   -0.0012193   -0.0024933
 H   -1.6350727   20.5816653    1.9324518  0.00   -0.0040900   -0.0036494    0.0031552
 C   -3.8691338   17.2519563    6.6365608  0.00   -0.0009528    0.0004766    0.0030078
 H   -2.9866357   16.6228301    6.5062933  0.00    0.0000420   -0.0072376   -0.0053274
 C   -5.0850376   16.3290801    6.7316520  0.00   -0.0005004    0.0039468    0.0013261
 H   -6.0024448   16.9118323    6.8456953  0.00   -0.0070587   -0.0075700    0.0032597
 H   -4.9999118   15.6684625    7.5977849  0.00    0.0049561    0.0018180   -0.0002046
 H   -5.1876361   15.7058341    5.8427464  0.00    0.0039547   -0.0036219    0.0034268
 C   -3.7128638   18.0403167    7.9360816  0.00    0.0003239   -0.0016319    0.0008672
 H   -2.8940622   18.7635800    7.8924218  0.00   -0.0009519   -0.0005290   -0.0077084
 H   -3.5173024   17.3606831    8.7685360  0.00   -0.0014891   -0.0030295    0.0037754
 H   -4.6215521   18.5948611    8.1805234  0.00    0.0023529    0.0004381    0.0017656
 C    2.7616580   18.1610809    4.2816826  0.00   -0.0012326    0.0186296    0.0029793
 C    2.9283202   18.9786201    3.1365168  0.00   -0.0032426    0.0066832    0.0046004
 C    3.8146856   20.0478058    3.2017012  0.00    0.0071785   -0.0020320   -0.0005954
 H    3.9649345   20.6722148    2.3278749  0.00   -0.0127144   -0.0082216    0.0066828
 C    4.5313024   20.3169581    4.3528421  0.00   -0.0085390    0.0092345    0.0044948
 H    5.2255545   21.1486009    4.3788160  0.00   -0.0028012    0.0062319    0.0015427
 C    4.3712310   19.5133940    5.4651376  0.00    0.0098993   -0.0013429   -0.0023051
 H    4.9548384   19.7204152    6.3551088  0.00   -0.0128091   -0.0029849   -0.0042757
 C    3.5037738   18.4252431    5.4569358  0.00   -0.0067427    0.0041918    0.0006000
 C    3.4605261   17.5275404    6.6730778  0.00    0.0003978    0.0009986    0.0025978
 H    2.6262912   16.8347677    6.5485652  0.00   -0.0012055   -0.0066981   -0.0050849
 C    4.7409557   16.6950163    6.7608800  0.00    0.0006203    0.0050667    0.0014694
 H    4.8825674   16.0813738    5.8704387  0.00   -0.0027093   -0.0038492    0.0037984
 H    4.7101547   16.0293990    7.6268413  0.00   -0.0061016    0.0031841    0.0003695
 H    5.6136154   17.3439530    6.8685078  0.00    0.0093992   -0.0074202    0.0032802
 C    3.2535099   18.3051624    7.9712737  0.00   -0.0004954   -0.0016819    0.0005666
 H    4.1211523   18.9230402    8.2131122  0.00   -0.0031801   -0.0005041    0.0020268
 H    3.1087031   17.6149340    8.8052898  0.00    0.0023439   -0.0033381    0.0038789
 H    2.3849429   18.9679841    7.9287068  0.00    0.0005602    0.0001464   -0.0065556
 C    2.2376796   18.6942516    1.8201212  0.00   -0.0024905    0.0011353   -0.0020939
 H    1.5078148   17.8940104    1.9821744  0.00    0.0042836   -0.0069874   -0.0035171
 C    1.4947878   19.9137741    1.2822563  0.00   -0.0006244    0.0012080   -0.0002794
 H    0.7718218   20.3091261    2.0013226  0.00    0.0038896   -0.0004189    0.0030997
 H    0.9545380   19.6573283    0.3688596  0.00    0.0008389   -0.0014603   -0.0016903
 H    2.1823350   20.7251616    1.0354703  0.00   -0.0013477    0.0023770   -0.0003224
 C    3.2465414   18.1907647    0.7865526  0.00   -0.0015108   -0.0026707    0.0017417
 H    3.9961057   18.9580224    0.5772884  0.00    0.0009963   -0.0016049   -0.0058117
 H    2.7461582   17.9470871   -0.1533995  0.00   -0.0053124   -0.0018167    0.0026163
 H    3.7662493   17.2984220    1.1380174  0.00   -0.0074563   -0.0025632   -0.0063235
 C   -0.1860714   16.9484448    7.1254968  0.00   -0.0006498    0.0040897   -0.0051665
 H    0.6731961   17.4802082    7.5702363  0.00   -0.0029412    0.0036410    0.0056438
 H   -1.0878280   17.4113749    7.5624771  0.00    0.0022722    0.0046676    0.0044206
 C    1.4374323   14.3108640    7.2354217  0.00    0.0016641    0.0021389   -0.0011500
 H    1.5399209   14.2756651    6.1477921  0.00    0.0001840    0.0000921    0.0000167
 H    1.4206146   13.2785176    7.5976248  0.00    0.0024828    0.0013479    0.0006880
 H    2.3376997   14.7787907    7.6412479  0.00    0.0000502   -0.0020769    0.0014691
 C   -0.1252660   15.2304507    9.6762581  0.00    0.0000200   -0.0000322    0.0022759
 H    0.7368986   15.7758859   10.0694167  0.00    0.0018513   -0.0050768   -0.0026274
 H   -0.0870956   14.2132926   10.0766592  0.00   -0.0004720    0.0048610    0.0167005
 H   -1.0258680   15.7098916   10.0691913  0.00   -0.0017502   -0.0052341   -0.0032503
 C   -1.6117771   14.2002815    7.2302269  0.00   -0.0010797    0.0011472   -0.0007134
 H   -2.5454707   14.5996334    7.6338505  0.00    0.0014373   -0.0011838    0.0021735
 H   -1.5188602   13.1718333    7.5919386  0.00   -0.0048257   -0.0002332    0.0000903
 H   -1.7086776   14.1583672    6.1422948  0.00    0.0007719    0.0005369    0.0003740
129
 Energy =   -2867.2888917860
 O   -0.1342765   15.5788640    3.8435449  0.00   -0.0002914   -0.0067426   -0.0020644
Th   -0.2019555   17.7776092    4.8891656  0.00   -0.0012859    0.0131218   -0.0224986
Si   -0.1222353   15.1909432    7.8015724  0.00    0.0010948   -0.0217236    0.0078997
 N   -2.1790791   16.9773602    4.2116130  0.00    0.0004862    0.0169047    0.0039033
 N    1.8229323   17.0865281    4.2373503  0.00   -0.0024455    0.0174829    0.0048024
 C   -2.5932640   13.1629491    2.6141782  0.00    0.0025840   -0.0095542   -0.0059030
 H   -2.6589092   12.1650830    2.2037898  0.00    0.0076792    0.0027651    0.0014734
 C   -3.7594570   13.8909788    2.8067144  0.00   -0.0037240   -0.0011187   -0.0029404
 C   -3.6649572   15.1819917    3.3379693  0.00   -0.0134730    0.0073428   -0.0027486
 H   -4.5529055   15.7843972    3.4837355  0.00   -0.0058593    0.0026744    0.0019775
 C   -2.4359079   15.7194899    3.6745953  0.00    0.0018588    0.0048411    0.0009489
 C    2.1555779   15.8533096    3.6874427  0.00    0.0015662    0.0028176   -0.0001176
 C    3.4148790   15.3956164    3.3459939  0.00    0.0091970    0.0135798    0.0008303
 H    4.2639248   16.0502192    3.4985873  0.00    0.0069743    0.0006854    0.0010632
 C    3.5877615   14.1145864    2.8108029  0.00    0.0045197   -0.0079669   -0.0054220
 C    2.4683304   13.3169756    2.6155298  0.00   -0.0075471   -0.0019004   -0.0016193
 H    2.5948731   12.3259638    2.2032963  0.00   -0.0065652   -0.0004951   -0.0002421
 C   -0.0513890   12.8628711    2.7146831  0.00   -0.0014404   -0.0112454   -0.0023308
 C   -1.3257567   13.6684097    2.9303997  0.00    0.0000837    0.0006987    0.0012238
 C   -1.3058009   14.9315483    3.4633187  0.00   -0.0058308   -0.0080011   -0.0032558
 C    1.0745862   15.0014199    3.4677048  0.00    0.0056826   -0.0042961   -0.0010012
 C    1.1715721   13.7436590    2.9314945  0.00    0.0060549   -0.0039542   -0.0011503
 C   -0.0167295   11.7014801    3.7225900  0.00    0.0001314    0.0026997   -0.0026765
 H   -0.0289052   12.0718884    4.7497267  0.00    0.0002942   -0.0025676   -0.0038615
 H    0.8873641   11.1040547    3.5855753  0.00   -0.0065101    0.0013829   -0.0000544
 H   -0.8826283   11.0502163    3.5841584  0.00    0.0065565    0.0015107    0.0001619
 C   -0.0341079   12.3008082    1.2866777  0.00    0.0003608   -0.0011586    0.0032735
 H   -0.8928901   11.6505115    1.1157232  0.00    0.0052845    0.0012364   -0.0007207
 H    0.8624637   11.7036144    1.1159509  0.00   -0.0055045    0.0011238   -0.0001429
 H   -0.0582593   13.1027599    0.5461705  0.00   -0.0000220   -0.0027082    0.0072002
 C   -5.1369196   13.3367136    2.4490086  0.00   -0.0029206   -0.0020463   -0.0012228
 C   -6.0246576   13.3267309    3.6989575  0.00    0.0024906   -0.0014556   -0.0011794
 H   -5.5841960   12.7156822    4.4904044  0.00   -0.0024736   -0.0023731   -0.0010726
 H   -7.0066518   12.9133961    3.4552847  0.00    0.0013432    0.0024641    0.0063179
 H   -6.1798621   14.3327161    4.0946494  0.00   -0.0030860   -0.0043059    0.0005700
 C   -5.7822810   14.2308987    1.3832643  0.00    0.0016106   -0.0023216    0.0001425
 H   -5.9154731   15.2552840    1.7384507  0.00   -0.0020231   -0.0031496   -0.0028852
 H   -6.7685597   13.8416037    1.1181458  0.00    0.0016022    0.0061848   -0.0035585
 H   -5.1748148   14.2634699    0.4754400  0.00   -0.0012499   -0.0031928   -0.0000984
 C   -5.0690272   11.9133716    1.9017976  0.00    0.0000005    0.0049949    0.0017906
 H   -4.4827306   11.8560436    0.9809160  0.00   -0.0047883   -0.0004035    0.0047806
 H   -6.0798591   11.5713157    1.6689023  0.00    0.0107574   -0.0079493   -0.0021435
 H   -4.6449971   11.2159580    2.6291303  0.00   -0.0040628    0.0030297   -0.0051754
 C    4.9976513   13.6433018    2.4613256  0.00    0.0031853   -0.0006005   -0.0008856
 C    5.6090925   14.5913006    1.4227621  0.00   -0.0010285   -0.0027575   -0.0001917
 H    6.6162269   14.2570703    1.1612260  0.00   -0.0015603    0.0061716   -0.0038453
 H    5.6887959   15.6126671    1.8017730  0.00    0.0027291   -0.0027453   -0.0032473
 H    5.0105402   14.6142345    0.5087489  0.00    0.0017960   -0.0035561   -0.0004525
 C    5.8659764   13.6577522    3.7250877  0.00   -0.0021659   -0.0019277   -0.0017132
 H    5.4500462   13.0050872    4.4963186  0.00    0.0026841   -0.0023057   -0.0014574
 H    5.9546316   14.6623735    4.1442321  0.00    0.0036951   -0.0042622    0.0006071
 H    6.8742245   13.3078723    3.4891744  0.00   -0.0015668    0.0020999    0.0063071
 C    5.0152783   12.2294596    1.8864670  0.00   -0.0004215    0.0048200    0.0019201
 H    4.6261298   11.4946214    2.5962002  0.00    0.0041689    0.0038580   -0.0049383
 H    6.0459522   11.9502684    1.6567874  0.00   -0.0103602   -0.0096085   -0.0026901
 H    4.4403065   12.1570974    0.9594663  0.00    0.0052276    0.0001899    0.0050890
 C   -3.1911677   17.9817556    4.2641365  0.00   -0.0033087    0.0183658    0.0084895
 C   -3.9774573   18.1539069    5.4277549  0.00    0.0046179    0.0030032   -0.0003795
 C   -4.9427009   19.1562410    5.4381575  0.00   -0.0112914    0.0049748   -0.0041335
 H   -5.5630051   19.2877781    6.3177981  0.00    0.0159575   -0.0034419   -0.0034714
 C   -5.1494395   19.9696281    4.3413276  0.00    0.0144133   -0.0000551   -0.0011549
 H   -5.9188971   20.7322089    4.3661377  0.00    0.0016395    0.0061142    0.0030241
 C   -4.3766690   19.8020183    3.2068097  0.00   -0.0162264    0.0032168    0.0087220
 H   -4.5584725   20.4387316    2.3487188  0.00    0.0150533   -0.0081327    0.0081672
 C   -3.3939836   18.8209122    3.1390722  0.00    0.0069097    0.0040158   -0.0019008
 C   -2.6426667   18.6419834    1.8361622  0.00   -0.0020635   -0.0001201    0.0009943
 H   -1.7509045   18.0344848    2.0351509  0.00   -0.0000852   -0.0059566   -0.0027417
 C   -3.5009382   17.8734013    0.8289698  0.00   -0.0000385    0.0004260   -0.0020119
 H   -3.7957826   16.8958353    1.2106169  0.00    0.0081311   -0.0034572   -0.0021467
 H   -2.9584834   17.7263360   -0.1077840  0.00    0.0066335    0.0000436    0.0016277
 H   -4.4098562   18.4379035    0.6054720  0.00   -0.0022323   -0.0007257   -0.0073326
 C   -2.1917999   19.9668837    1.2269988  0.00    0.0009184   -0.0033662   -0.0004242
 H   -3.0420420   20.5569705    0.8791265  0.00    0.0061852    0.0004015   -0.0004975
 H   -1.5553102   19.7832571    0.3596163  0.00   -0.0025494    0.0015312   -0.0011395
 H   -1.6322076   20.5831818    1.9350541  0.00   -0.0039955   -0.0005689    0.0023642
 C   -3.8660447   17.2530201    6.6371002  0.00   -0.0014154   -0.0008118   -0.0002635
 H   -2.9836059   16.6238536    6.5058943  0.00   -0.0006207   -0.0058395   -0.0026940
 C   -5.0815095   16.3301000    6.7326028  0.00   -0.0035443    0.0005941    0.0010304
 H   -5.9992092   16.9122332    6.8457881  0.00   -0.0090044   -0.0046751    0.0039067
 H   -4.9966129   15.6705135    7.5993510  0.00    0.0055459    0.0003040    0.0021699
 H   -5.1843628   15.7055130    5.8447761  0.00    0.0055619   -0.0038578    0.0010168
 C   -3.7099090   18.0413802    7.9365801  0.00    0.0017877   -0.0029222   -0.0001149
 H   -2.8916271   18.7651774    7.8917869  0.00   -0.0017481   -0.0000905   -0.0056523
 H   -3.5128718   17.3612794    8.7684625  0.00   -0.0025241   -0.0001151    0.0034542
 H   -4.6191577   18.5951374    8.1814201  0.00    0.0051892   -0.0014134    0.0021517
 C    2.7598020   18.1606924    4.2814684  0.00   -0.0013657    0.0161418    0.0088885
 C    2.9243796   18.9799710    3.1374893  0.00   -0.0016963    0.0114581   -0.0038894
 C    3.8085858   20.0511494    3.2032207  0.00    0.0094327   -0.0032964    0.0101990
 H    3.9576944   20.6767006    2.3301388  0.00   -0.0137040   -0.0079773    0.0052578
 C    4.5249607   20.3210695    4.3548512  0.00   -0.0090432    0.0065251   -0.0060830
 H    5.2178879   21.1540925    4.3808886  0.00   -0.0053629    0.0033794    0.0024143
 C    4.3671109   19.5157601    5.4661325  0.00    0.0064161   -0.0028504    0.0005406
 H    4.9509350   19.7232203    6.3561175  0.00   -0.0159900   -0.0045772   -0.0062904
 C    3.5010093   18.4261428    5.4572134  0.00   -0.0024850    0.0068100   -0.0008729
 C    3.4574808   17.5287556    6.6734082  0.00    0.0003226   -0.0009642   -0.0002998
 H    2.6232296   16.8359745    6.5479616  0.00    0.0001578   -0.0053211   -0.0026501
 C    4.7373988   16.6960946    6.7624931  0.00    0.0035218    0.0017375    0.0007894
 H    4.8794957   16.0804404    5.8736229  0.00   -0.0041224   -0.0039715    0.0012080
 H    4.7062312   16.0320466    7.6294648  0.00   -0.0063400    0.0018160    0.0027218
 H    5.6105267   17.3443095    6.8692016  0.00    0.0105472   -0.0045861    0.0037640
 C    3.2501040   18.3065873    7.9713224  0.00   -0.0022295   -0.0025460    0.0002012
 H    4.1187756   18.9226369    8.2146592  0.00   -0.0051263   -0.0020802    0.0022221
 H    3.1020293   17.6159648    8.8045819  0.00    0.0033033   -0.0005716    0.0037179
 H    2.3829352   18.9710853    7.9267068  0.00    0.0008672    0.0006795   -0.0045812
 C    2.2333222   18.6960763    1.8209491  0.00    0.0013542   -0.0007199    0.0008874
 H    1.5032377   17.8960796    1.9835349  0.00    0.0019658   -0.0053233   -0.0041828
 C    1.4918276   19.9164610    1.2828432  0.00    0.0017038   -0.0028028   -0.0004162
 H    0.7695763   20.3119277    2.0025093  0.00    0.0038725    0.0018701    0.0014257
 H    0.9510855   19.6596396    0.3696943  0.00    0.0019735    0.0011494    0.0000637
 H    2.1806480   20.7270216    1.0357310  0.00   -0.0056387   -0.0008926    0.0002644
 C    3.2412693   18.1909926    0.7874424  0.00    0.0001579    0.0006819   -0.0018738
 H    3.9919729   18.9570328    0.5780926  0.00    0.0016206    0.0001618   -0.0055822
 H    2.7405771   17.9486100   -0.1526050  0.00   -0.0064503   -0.0023901    0.0017839
 H    3.7601568   17.2979650    1.1377388  0.00   -0.0074716   -0.0055673   -0.0031520
 C   -0.1860297   16.9514809    7.1258917  0.00   -0.0005937    0.0044952   -0.0062010
 H    0.6730212   17.4817675    7.5720554  0.00    0.0003617    0.0062544    0.0048387
 H   -1.0870851   17.4133802    7.5646377  0.00   -0.0013175    0.0070009    0.0034491
 C    1.4369908   14.3129141    7.2356892  0.00    0.0009980    0.0024082   -0.0007385
 H    1.5395060   14.2777982    6.1478628  0.00    0.0008135   -0.0000585    0.0031988
 H    1.4198175   13.2803290    7.5979746  0.00    0.0013532    0.0057176   -0.0007694
 H    2.3373835   14.7804894    7.6419460  0.00   -0.0007769   -0.0029449   -0.0001767
 C   -0.1256466   15.2338175    9.6765602  0.00    0.0000855   -0.0008848   -0.0002918
 H    0.7368976   15.7793893   10.0691272  0.00   -0.0012683   -0.0059275   -0.0018915
 H   -0.0874898   14.2164976   10.0772042  0.00   -0.0006143    0.0088200    0.0147933
 H   -1.0266747   15.7133644   10.0688266  0.00    0.0014632   -0.0058443   -0.0026042
 C   -1.6117906   14.2025325    7.2304314  0.00   -0.0004351    0.0012969   -0.0002624
 H   -2.5456720   14.6014043    7.6343949  0.00    0.0024947   -0.0019564    0.0005921
 H   -1.5182097   13.1740062    7.5924966  0.00   -0.0044197    0.0037781   -0.0014929
 H   -1.7086694   14.1604348    6.1423142  0.00    0.0002190    0.0003375    0.0035473
129
 Energy =   -2867.2889439320
 O   -0.1340252   15.5746550    3.8425757  0.00    0.0002450    0.0053934    0.0021651
Th   -0.2017656   17.7771926    4.8858059  0.00   -0.0008663    0.0048642   -0.0103191
Si   -0.1224923   15.1941842    7.8017419  0.00    0.0011863   -0.0220380    0.0060729
 N   -2.1785550   16.9757470    4.2108449  0.00    0.0009865    0.0134865    0.0012559
 N    1.8227763   17.0846719    4.2366590  0.00   -0.0037754    0.0166987    0.0021808
 C   -2.5923625   13.1593203    2.6120126  0.00   -0.0081034    0.0099805    0.0016679
 H   -2.6601366   12.1619700    2.2018127  0.00    0.0118773   -0.0040656   -0.0015085
 C   -3.7582807   13.8881918    2.8052541  0.00   -0.0065510   -0.0062769   -0.0049654
 C   -3.6646390   15.1793680    3.3366112  0.00   -0.0093735    0.0100905   -0.0006035
 H   -4.5534666   15.7806869    3.4824699  0.00   -0.0025891    0.0024001    0.0013181
 C   -2.4357670   15.7175901    3.6738359  0.00   -0.0011922   -0.0055061   -0.0036363
 C    2.1557133   15.8512409    3.6866360  0.00    0.0137722   -0.0041015   -0.0050796
 C    3.4151641   15.3930132    3.3445486  0.00   -0.0025073    0.0039795   -0.0007735
 H    4.2650955   16.0462626    3.4970937  0.00    0.0065090    0.0029024    0.0013016
 C    3.5868746   14.1112762    2.8090170  0.00    0.0145380    0.0064253    0.0001489
 C    2.4677043   13.3136287    2.6134404  0.00    0.0072256   -0.0067831   -0.0051409
 H    2.5965796   12.3226286    2.2011000  0.00   -0.0123036    0.0028748    0.0012229
 C   -0.0512899   12.8595894    2.7130350  0.00    0.0016391   -0.0072228   -0.0010426
 C   -1.3251407   13.6653722    2.9286553  0.00   -0.0121088   -0.0055296    0.0006583
 C   -1.3060768   14.9282587    3.4622631  0.00    0.0028486    0.0035872   -0.0016096
 C    1.0753669   14.9982082    3.4666045  0.00   -0.0064512   -0.0026778   -0.0026830
 C    1.1715749   13.7403320    2.9295151  0.00    0.0057489    0.0033449    0.0055217
 C   -0.0165696   11.6979191    3.7203065  0.00   -0.0001193    0.0002659   -0.0044917
 H   -0.0287148   12.0671516    4.7478637  0.00    0.0003606   -0.0034713   -0.0043544
 H    0.8872055   11.1004002    3.5814276  0.00   -0.0057100    0.0021484    0.0030958
 H   -0.8822087   11.0466868    3.5799988  0.00    0.0056825    0.0019560    0.0034771
 C   -0.0339903   12.2961397    1.2857803  0.00   -0.0002027   -0.0024195    0.0042218
 H   -0.8925677   11.6451489    1.1166099  0.00    0.0042319    0.0021328   -0.0029750
 H    0.8623519   11.6981739    1.1167745  0.00   -0.0042837    0.0021014   -0.0022556
 H   -0.0581242   13.0968503    0.5440102  0.00    0.0000009   -0.0024836    0.0064390
 C   -5.1360677   13.3341604    2.4478205  0.00   -0.0123605   -0.0000376   -0.0010944
 C   -6.0240054   13.3248465    3.6979650  0.00    0.0009494   -0.0039730   -0.0025428
 H   -5.5843703   12.7123335    4.4889738  0.00   -0.0027949    0.0029477   -0.0011667
 H   -7.0064887   12.9122389    3.4544520  0.00    0.0034662    0.0026351    0.0047240
 H   -6.1794076   14.3311842    4.0930224  0.00   -0.0000411   -0.0075694    0.0027191
 C   -5.7818003   14.2289097    1.3824357  0.00    0.0005596   -0.0052664   -0.0010012
 H   -5.9154249   15.2530947    1.7383623  0.00    0.0013494   -0.0041344   -0.0060531
 H   -6.7684674   13.8400442    1.1176950  0.00    0.0030222    0.0053402   -0.0023959
 H   -5.1750469   14.2603267    0.4738499  0.00   -0.0023730    0.0006587    0.0035301
 C   -5.0707622   11.9106230    1.9002942  0.00    0.0003024    0.0070090    0.0020090
 H   -4.4861040   11.8528417    0.9782251  0.00   -0.0027596   -0.0021502    0.0090028
 H   -6.0823917   11.5702309    1.6680572  0.00    0.0111518   -0.0064075   -0.0016029
 H   -4.6484210   11.2122095    2.6277984  0.00   -0.0008918    0.0040977   -0.0085326
 C    4.9971913   13.6404965    2.4599822  0.00    0.0110711   -0.0013592   -0.0018406
 C    5.6089294   14.5889509    1.4217500  0.00    0.0003939   -0.0050359   -0.0014569
 H    6.6164258   14.2551644    1.1605786  0.00   -0.0030181    0.0052286   -0.0025645
 H    5.6890440   15.6101424    1.8014533  0.00   -0.0004947   -0.0037998   -0.0066593
 H    5.0111566   14.6106981    0.5069711  0.00    0.0025436    0.0003692    0.0031185
 C    5.8656382   13.6555513    3.7239134  0.00   -0.0004157   -0.0037809   -0.0025396
 H    5.4506185   13.0015002    4.4946982  0.00    0.0026317    0.0030550   -0.0014326
 H    5.9545189   14.6605609    4.1424224  0.00    0.0008893   -0.0079460    0.0026617
 H    6.8743020   13.3063600    3.4881676  0.00   -0.0036527    0.0022502    0.0046534
 C    5.0174220   12.2265345    1.8848664  0.00    0.0000061    0.0073547    0.0023507
 H    4.6300774   11.4908152    2.5948005  0.00    0.0006893    0.0046346   -0.0081437
 H    6.0488045   11.9490461    1.6559059  0.00   -0.0108839   -0.0081104   -0.0021548
 H    4.4441622   12.1538030    0.9566894  0.00    0.0029856   -0.0018309    0.0089632
 C   -3.1887465   17.9824101    4.2645139  0.00    0.0001246    0.0104269    0.0111492
 C   -3.9740895   18.1553971    5.4287552  0.00   -0.0001949    0.0035643   -0.0050292
 C   -4.9383558   19.1589547    5.4397592  0.00    0.0002827    0.0030482    0.0022685
 H   -5.5575606   19.2907080    6.3198725  0.00    0.0130737   -0.0027260   -0.0013938
 C   -5.1427627   19.9747283    4.3445385  0.00    0.0046750   -0.0036567   -0.0087536
 H   -5.9109881   20.7388447    4.3698783  0.00    0.0045810    0.0033463    0.0033821
 C   -4.3713728   19.8056410    3.2093879  0.00   -0.0026601   -0.0012838    0.0122625
 H   -4.5509672   20.4432355    2.3521678  0.00    0.0112980   -0.0023067    0.0014378
 C   -3.3898346   18.8229384    3.1404527  0.00   -0.0031083    0.0076788   -0.0025599
 C   -2.6382945   18.6442372    1.8377186  0.00   -0.0006399   -0.0043943    0.0004061
 H   -1.7465968   18.0360175    2.0372318  0.00   -0.0027418   -0.0008634   -0.0041339
 C   -3.4950639   17.8754126    0.8296698  0.00   -0.0030970   -0.0028417   -0.0029415
 H   -3.7884082   16.8966576    1.2092940  0.00    0.0074452   -0.0035115    0.0009133
 H   -2.9519785   17.7299421   -0.1067861  0.00    0.0082631    0.0007105   -0.0010437
 H   -4.4049211   18.4382270    0.6059338  0.00   -0.0022663    0.0009256   -0.0066471
 C   -2.1875914   19.9692652    1.2288347  0.00   -0.0012964   -0.0044702    0.0015821
 H   -3.0379651   20.5592415    0.8803586  0.00    0.0094850   -0.0020099    0.0003903
 H   -1.5501120   19.7855074    0.3622221  0.00   -0.0029744    0.0032206   -0.0012014
 H   -1.6291519   20.5849491    1.9382554  0.00   -0.0028013    0.0021958    0.0006256
 C   -3.8624053   17.2541876    6.6376109  0.00   -0.0045450   -0.0022804   -0.0005827
 H   -2.9802129   16.6246753    6.5053215  0.00   -0.0020411   -0.0029561    0.0001437
 C   -5.0776367   16.3312486    6.7337625  0.00   -0.0058436   -0.0016688    0.0007200
 H   -5.9960355   16.9124273    6.8461444  0.00   -0.0078355   -0.0028371    0.0038552
 H   -4.9924693   15.6729361    7.6012683  0.00    0.0055355   -0.0012973    0.0042639
 H   -5.1801767   15.7049751    5.8472287  0.00    0.0058447   -0.0038896   -0.0016144
 C   -3.7063327   18.0424306    7.9372306  0.00    0.0031835   -0.0037368   -0.0034156
 H   -2.8889231   18.7670692    7.8906668  0.00   -0.0014674   -0.0002405   -0.0020216
 H   -3.5078938   17.3620086    8.7686247  0.00   -0.0024624    0.0026069    0.0030348
 H   -4.6160459   18.5953702    8.1826153  0.00    0.0066925   -0.0028828    0.0021547
 C    2.7572730   18.1613203    4.2816400  0.00   -0.0050595    0.0083521    0.0076008
 C    2.9195521   18.9821536    3.1384792  0.00    0.0019487    0.0054415   -0.0013200
 C    3.8018984   20.0546997    3.2053995  0.00    0.0047165    0.0033831    0.0078384
 H    3.9483519   20.6814258    2.3330169  0.00   -0.0110419   -0.0051989    0.0017279
 C    4.5174190   20.3263105    4.3570509  0.00   -0.0066775   -0.0109477   -0.0040435
 H    5.2085189   21.1605888    4.3834542  0.00   -0.0037958    0.0053666    0.0027988
 C    4.3624769   19.5181670    5.4670484  0.00    0.0004062    0.0075339   -0.0017333
 H    4.9454252   19.7261951    6.3571300  0.00   -0.0130133   -0.0044404   -0.0026226
 C    3.4977028   18.4276499    5.4577359  0.00   -0.0003938    0.0025397   -0.0036157
 C    3.4538425   17.5300898    6.6736887  0.00    0.0030903   -0.0018345   -0.0010967
 H    2.6197579   16.8370436    6.5471461  0.00    0.0024246   -0.0024701   -0.0001413
 C    4.7334926   16.6973802    6.7643934  0.00    0.0055024   -0.0006940    0.0004700
 H    4.8756339   16.0791910    5.8774312  0.00   -0.0045298   -0.0037159   -0.0016839
 H    4.7013114   16.0352626    7.6326383  0.00   -0.0057128    0.0001813    0.0045530
 H    5.6076270   17.3444538    6.8702414  0.00    0.0080517   -0.0028327    0.0035697
 C    3.2459429   18.3080672    7.9714781  0.00   -0.0029117   -0.0028896   -0.0026204
 H    4.1156925   18.9220443    8.2165987  0.00   -0.0063408   -0.0031935    0.0017296
 H    3.0944877   17.6171992    8.8040171  0.00    0.0032112    0.0020127    0.0035404
 H    2.3806803   18.9747904    7.9240484  0.00    0.0000127    0.0001969   -0.0008411
 C    2.2284067   18.6982317    1.8220042  0.00    0.0020758   -0.0039362    0.0003076
 H    1.4980162   17.8981080    1.9848079  0.00    0.0021353   -0.0003617   -0.0040163
 C    1.4884033   19.9193932    1.2835461  0.00    0.0037617   -0.0053583   -0.0002222
 H    0.7672410   20.3153329    2.0039605  0.00    0.0022904    0.0038575    0.0000027
 H    0.9471831   19.6624200    0.3706490  0.00    0.0021117    0.0030576    0.0012388
 H    2.1783590   20.7291703    1.0360328  0.00   -0.0086092   -0.0038053    0.0006537
 C    3.2351205   18.1914499    0.7883017  0.00    0.0033426   -0.0021409   -0.0026412
 H    3.9871955   18.9558657    0.5787424  0.00    0.0031262    0.0028368   -0.0056608
 H    2.7337255   17.9502140   -0.1515521  0.00   -0.0077902   -0.0021190    0.0001431
 H    3.7526189   17.2970370    1.1372903  0.00   -0.0081750   -0.0042881   -0.0008541
 C   -0.1860073   16.9551920    7.1259960  0.00   -0.0002302    0.0024379   -0.0053932
 H    0.6727691   17.4839963    7.5743770  0.00    0.0011693    0.0065571    0.0008965
 H   -1.0862381   17.4161994    7.5672688  0.00   -0.0024690    0.0071455   -0.0005005
 C    1.4364835   14.3153281    7.2360523  0.00    0.0017999    0.0044554   -0.0023859
 H    1.5390642   14.2802832    6.1480640  0.00    0.0010721    0.0000494    0.0063404
 H    1.4189956   13.2828458    7.5983133  0.00    0.0005426    0.0040438   -0.0006156
 H    2.3370238   14.7822995    7.6427683  0.00   -0.0011768   -0.0026463   -0.0014597
 C   -0.1260777   15.2374948    9.6768966  0.00    0.0000913    0.0009308   -0.0019238
 H    0.7368973   15.7830924   10.0686985  0.00   -0.0040633   -0.0049977   -0.0010025
 H   -0.0879890   14.2208211   10.0788669  0.00   -0.0004875    0.0063797    0.0134544
 H   -1.0275999   15.7170303   10.0682646  0.00    0.0042058   -0.0046715   -0.0017938
 C   -1.6117746   14.2051068    7.2307539  0.00   -0.0012200    0.0030294   -0.0018207
 H   -2.5457948   14.6033510    7.6350867  0.00    0.0028569   -0.0015586   -0.0006551
 H   -1.5177773   13.1767971    7.5930250  0.00   -0.0036902    0.0020174   -0.0015000
 H   -1.7086308   14.1628666    6.1424827  0.00   -0.0001204    0.0004048    0.0065801
129
 Energy =   -2867.2889729710
 O   -0.1339489   15.5731332    3.8422178  0.00    0.0006430    0.0126555    0.0052904
Th   -0.2017992   17.7780115    4.8836558  0.00   -0.0003271    0.0004150   -0.0030367
Si   -0.1225163   15.1944769    7.8019866  0.00    0.0007415   -0.0114646    0.0011389
 N   -2.1784376   16.9761168    4.2106623  0.00   -0.0004940    0.0017627   -0.0021111
 N    1.8226155   17.0850573    4.2365569  0.00   -0.0013495    0.0017216   -0.0027880
 C   -2.5921187   13.1583490    2.6112078  0.00   -0.0125845    0.0093194    0.0019852
 H   -2.6601342   12.1608651    2.2011455  0.00    0.0116152   -0.0022617   -0.0011067
 C   -3.7579000   13.8873392    2.8046255  0.00   -0.0102391   -0.0012837   -0.0037642
 C   -3.6649509   15.1789742    3.3360121  0.00   -0.0017729    0.0052266    0.0006981
 H   -4.5541923   15.7796498    3.4821634  0.00   -0.0022870    0.0025413    0.0007154
 C   -2.4359615   15.7174425    3.6736537  0.00   -0.0007790   -0.0048828   -0.0050537
 C    2.1560532   15.8509510    3.6864253  0.00    0.0106277    0.0027625   -0.0033699
 C    3.4155115   15.3925702    3.3439773  0.00   -0.0044174   -0.0005492   -0.0001876
 H    4.2661448   16.0450793    3.4966722  0.00    0.0043846    0.0025890    0.0008686
 C    3.5866506   14.1104233    2.8083779  0.00    0.0155890    0.0069454   -0.0001170
 C    2.4676486   13.3124483    2.6125573  0.00    0.0072656    0.0019041   -0.0008601
 H    2.5967594   12.3216151    2.2003991  0.00   -0.0116109    0.0004304   -0.0000997
 C   -0.0512044   12.8583732    2.7125216  0.00   -0.0009947    0.0021011    0.0025543
 C   -1.3251638   13.6644095    2.9281417  0.00   -0.0089022   -0.0051890   -0.0005784
 C   -1.3063289   14.9272203    3.4618882  0.00    0.0013660    0.0089415    0.0011518
 C    1.0758189   14.9973125    3.4663201  0.00   -0.0086282   -0.0040683   -0.0026118
 C    1.1715404   13.7393072    2.9289916  0.00    0.0110918    0.0052569    0.0041782
 C   -0.0165240   11.6969182    3.7194250  0.00    0.0001703   -0.0006286   -0.0028884
 H   -0.0286315   12.0655325    4.7471417  0.00    0.0003713   -0.0036819   -0.0037587
 H    0.8868600   11.0993326    3.5798443  0.00   -0.0022248    0.0009250    0.0039171
 H   -0.8817647   11.0456552    3.5784403  0.00    0.0020611    0.0004411    0.0042149
 C   -0.0339644   12.2946049    1.2857957  0.00    0.0001736   -0.0016251    0.0023573
 H   -0.8922418   11.6434099    1.1170483  0.00    0.0013983    0.0011735   -0.0035874
 H    0.8621045   11.6964081    1.1172477  0.00   -0.0016036    0.0014022   -0.0030733
 H   -0.0580853   13.0949377    0.5437703  0.00    0.0000374   -0.0023557    0.0049303
 C   -5.1359188   13.3333528    2.4474199  0.00   -0.0129086   -0.0000405   -0.0012037
 C   -6.0236497   13.3241261    3.6976423  0.00   -0.0009318   -0.0034537   -0.0018307
 H   -5.5845403   12.7109489    4.4884092  0.00   -0.0015731    0.0045552   -0.0002435
 H   -7.0063250   12.9119987    3.4545951  0.00    0.0018934    0.0011366    0.0022795
 H   -6.1794778   14.3304582    4.0925507  0.00    0.0022156   -0.0074900    0.0042312
 C   -5.7815280   14.2281396    1.3821101  0.00   -0.0012515   -0.0039561   -0.0015476
 H   -5.9155520   15.2522355    1.7381635  0.00    0.0036667   -0.0034933   -0.0069811
 H   -6.7683140   13.8399133    1.1173006  0.00    0.0013696    0.0028840   -0.0019602
 H   -5.1751445   14.2589601    0.4732746  0.00   -0.0015797    0.0024803    0.0040461
 C   -5.0712361   11.9099457    1.8998713  0.00   -0.0001193    0.0051625    0.0013823
 H   -4.4873958   11.8518752    0.9774684  0.00    0.0004555   -0.0024571    0.0083122
 H   -6.0826139   11.5693291    1.6676140  0.00    0.0070698   -0.0045561   -0.0013499
 H   -4.6497201   11.2111100    2.6272457  0.00    0.0022951    0.0032680   -0.0076485
 C    4.9971654   13.6395849    2.4595120  0.00    0.0121092   -0.0000715   -0.0014232
 C    5.6087995   14.5880588    1.4213437  0.00    0.0019957   -0.0038438   -0.0020479
 H    6.6163725   14.2549057    1.1601030  0.00   -0.0011780    0.0028437   -0.0020870
 H    5.6893195   15.6091898    1.8011370  0.00   -0.0028433   -0.0031648   -0.0076085
 H    5.0114304   14.6091635    0.5063030  0.00    0.0016422    0.0022531    0.0036660
 C    5.8654067   13.6547174    3.7235166  0.00    0.0014124   -0.0034204   -0.0018457
 H    5.4509414   13.0000275    4.4940340  0.00    0.0012943    0.0045950   -0.0004241
 H    5.9547470   14.6597308    4.1419002  0.00   -0.0013733   -0.0078541    0.0041783
 H    6.8742049   13.3059660    3.4882354  0.00   -0.0018491    0.0009240    0.0022175
 C    5.0180430   12.2258092    1.8844243  0.00    0.0000198    0.0051335    0.0015749
 H    4.6315457   11.4897468    2.5942545  0.00   -0.0025360    0.0035838   -0.0073857
 H    6.0491540   11.9479911    1.6554206  0.00   -0.0067772   -0.0057757   -0.0017603
 H    4.4456248   12.1528500    0.9559161  0.00   -0.0002587   -0.0024344    0.0082311
 C   -3.1878841   17.9837271    4.2650549  0.00    0.0011854    0.0009957    0.0049468
 C   -3.9731412   18.1563690    5.4291389  0.00   -0.0011339    0.0010623   -0.0034759
 C   -4.9372906   19.1599605    5.4402496  0.00    0.0067448    0.0046169    0.0001532
 H   -5.5552932   19.2915836    6.3206395  0.00    0.0066661   -0.0008993    0.0043433
 C   -5.1406315   19.9769773    4.3457147  0.00    0.0021083   -0.0072164   -0.0052372
 H   -5.9081604   20.7417130    4.3714527  0.00    0.0043911    0.0043066    0.0032720
 C   -4.3700012   19.8067971    3.2105073  0.00    0.0037470    0.0027278    0.0078493
 H   -4.5479207   20.4445355    2.3535007  0.00    0.0074714    0.0023708   -0.0023971
 C   -3.3886729   18.8241783    3.1410154  0.00   -0.0014399    0.0021265   -0.0010338
 C   -2.6371149   18.6448658    1.8382079  0.00   -0.0030274   -0.0048763    0.0011737
 H   -1.7456957   18.0360217    2.0377963  0.00   -0.0040559    0.0021144   -0.0040054
 C   -3.4932423   17.8759405    0.8296552  0.00   -0.0019659   -0.0033454   -0.0037224
 H   -3.7854183   16.8965517    1.2083718  0.00    0.0059031   -0.0039449    0.0021278
 H   -2.9492073   17.7311117   -0.1063582  0.00    0.0078818    0.0017042   -0.0015472
 H   -4.4035016   18.4378996    0.6051980  0.00   -0.0015292    0.0005413   -0.0054979
 C   -2.1863086   19.9697870    1.2294037  0.00    0.0004864   -0.0038604    0.0020584
 H   -3.0363505   20.5600244    0.8806538  0.00    0.0084503   -0.0026795    0.0004229
 H   -1.5486267   19.7860537    0.3629119  0.00   -0.0026404    0.0038751    0.0000823
 H   -1.6284606   20.5852127    1.9394845  0.00   -0.0019387    0.0027434   -0.0008438
 C   -3.8614925   17.2545221    6.6376543  0.00   -0.0061038   -0.0027809   -0.0015864
 H   -2.9794977   16.6246015    6.5046414  0.00   -0.0035054   -0.0004977    0.0014007
 C   -5.0766548   16.3315129    6.7342197  0.00   -0.0053572   -0.0027497    0.0009778
 H   -5.9957637   16.9117305    6.8466099  0.00   -0.0058176   -0.0022968    0.0029887
 H   -4.9905884   15.6737681    7.6020572  0.00    0.0048009   -0.0016245    0.0048959
 H   -5.1785428   15.7043120    5.8482950  0.00    0.0049124   -0.0040011   -0.0026149
 C   -3.7051140   18.0424758    7.9373558  0.00    0.0030544   -0.0030077   -0.0039892
 H   -2.8881229   18.7674442    7.8897538  0.00   -0.0004016   -0.0004738    0.0002069
 H   -3.5065465   17.3620378    8.7687761  0.00   -0.0009860    0.0036790    0.0020025
 H   -4.6147557   18.5953935    8.1831052  0.00    0.0060620   -0.0033603    0.0018408
 C    2.7561164   18.1626590    4.2820195  0.00   -0.0040534   -0.0023851    0.0045920
 C    2.9180075   18.9833364    3.1389426  0.00    0.0031776    0.0044312   -0.0021457
 C    3.8001454   20.0560039    3.2062512  0.00   -0.0052453    0.0008972    0.0059055
 H    3.9446979   20.6826182    2.3340889  0.00   -0.0070265    0.0011115   -0.0035373
 C    4.5148369   20.3283511    4.3579370  0.00   -0.0007755   -0.0064443   -0.0064394
 H    5.2051461   21.1634270    4.3844954  0.00   -0.0051034    0.0041429    0.0032070
 C    4.3613337   19.5192436    5.4671005  0.00   -0.0087712    0.0019985    0.0018001
 H    4.9431207   19.7270555    6.3573864  0.00   -0.0065089   -0.0017328    0.0036338
 C    3.4965975   18.4285877    5.4579910  0.00    0.0024768    0.0032078   -0.0042993
 C    3.4528614   17.5305369    6.6736500  0.00    0.0052762   -0.0020268   -0.0017466
 H    2.6189575   16.8371353    6.5464087  0.00    0.0040931   -0.0002563    0.0009857
 C    4.7325054   16.6977857    6.7650923  0.00    0.0046862   -0.0019424    0.0007627
 H    4.8742173   16.0783054    5.8789859  0.00   -0.0038229   -0.0038566   -0.0027058
 H    4.6991009   16.0364772    7.6338871  0.00   -0.0047789   -0.0003377    0.0052977
 H    5.6075825   17.3437693    6.8709357  0.00    0.0052851   -0.0021022    0.0026532
 C    3.2445302   18.3082264    7.9715173  0.00   -0.0029236   -0.0021635   -0.0034678
 H    4.1143706   18.9217504    8.2173742  0.00   -0.0051470   -0.0033070    0.0014501
 H    3.0924851   17.6172820    8.8039550  0.00    0.0012028    0.0030166    0.0025517
 H    2.3799635   18.9756923    7.9228615  0.00   -0.0009172   -0.0001963    0.0012387
 C    2.2270996   18.6988702    1.8223193  0.00    0.0033794   -0.0048110    0.0014539
 H    1.4969428   17.8983439    1.9850034  0.00    0.0021783    0.0029756   -0.0031912
 C    1.4874685   19.9201044    1.2837553  0.00    0.0018977   -0.0049885    0.0006917
 H    0.7668481   20.3162863    2.0046104  0.00    0.0020156    0.0036920   -0.0017719
 H    0.9461483   19.6631811    0.3709149  0.00    0.0015023    0.0035887    0.0019847
 H    2.1773836   20.7298507    1.0361321  0.00   -0.0076695   -0.0045227    0.0003606
 C    3.2332097   18.1914495    0.7883357  0.00    0.0028698   -0.0019613   -0.0033730
 H    3.9858556   18.9551815    0.5781998  0.00    0.0031044    0.0020834   -0.0051468
 H    2.7308786   17.9505361   -0.1511149  0.00   -0.0076051   -0.0010076   -0.0002776
 H    3.7496819   17.2962133    1.1365611  0.00   -0.0069164   -0.0043188    0.0005533
 C   -0.1860373   16.9565773    7.1257682  0.00   -0.0002212    0.0025176   -0.0014602
 H    0.6724783   17.4849269    7.5756809  0.00   -0.0000877    0.0045652   -0.0019126
 H   -1.0858855   17.4173660    7.5685488  0.00   -0.0010255    0.0051729   -0.0031380
 C    1.4364407   14.3161466    7.2361210  0.00    0.0013036    0.0028715   -0.0009642
 H    1.5390447   14.2810413    6.1482463  0.00    0.0013722    0.0003527    0.0045776
 H    1.4189847   13.2838016    7.5984038  0.00    0.0002664    0.0015320   -0.0003776
 H    2.3369355   14.7827072    7.6431058  0.00    0.0002556   -0.0009349   -0.0012369
 C   -0.1262037   15.2384943    9.6770626  0.00    0.0001583   -0.0006249   -0.0019156
 H    0.7369420   15.7839432   10.0683767  0.00   -0.0038651   -0.0020458   -0.0000304
 H   -0.0881913   14.2226419   10.0807758  0.00   -0.0003417    0.0032672    0.0116259
 H   -1.0279407   15.7178656   10.0678235  0.00    0.0038070   -0.0017213   -0.0008638
 C   -1.6118213   14.2059107    7.2308492  0.00   -0.0007215    0.0016577   -0.0005219
 H   -2.5456999   14.6039108    7.6354489  0.00    0.0012501   -0.0000253   -0.0005769
 H   -1.5180941   13.1777051    7.5931212  0.00   -0.0029931   -0.0003303   -0.0012115
 H   -1.7086478   14.1636635    6.1426848  0.00   -0.0005724    0.0006048    0.0048356
129
 Energy =   -2867.2889940260
 O   -0.1337997   15.5715683    3.8419248  0.00   -0.0002699    0.0125603    0.0028069
Th   -0.2017499   17.7778762    4.8818191  0.00   -0.0003076   -0.0014990    0.0068094
Si   -0.1225913   15.1952469    7.8022244  0.00    0.0002387    0.0008903   -0.0022216
 N   -2.1782948   16.9755084    4.2101978  0.00   -0.0005023   -0.0026405   -0.0038256
 N    1.8225729   17.0844652    4.2361330  0.00   -0.0007876   -0.0074577   -0.0069999
 C   -2.5923713   13.1571507    2.6103008  0.00   -0.0090447   -0.0023225   -0.0010661
 H   -2.6598520   12.1592234    2.2001342  0.00    0.0101233    0.0045827    0.0014249
 C   -3.7579372   13.8859464    2.8037567  0.00   -0.0149805    0.0068892   -0.0009388
 C   -3.6651635   15.1779226    3.3352836  0.00    0.0018154    0.0000652    0.0006760
 H   -4.5546222   15.7782066    3.4816791  0.00   -0.0020299    0.0032639    0.0004731
 C   -2.4360869   15.7164467    3.6731094  0.00    0.0007762   -0.0036855   -0.0054596
 C    2.1565457   15.8498640    3.6857879  0.00   -0.0003307    0.0073835   -0.0003944
 C    3.4157746   15.3913723    3.3432158  0.00    0.0020653    0.0001975    0.0003633
 H    4.2669456   16.0434902    3.4960792  0.00    0.0007872    0.0013961    0.0003674
 C    3.5869641   14.1091572    2.8075405  0.00    0.0142658    0.0023888   -0.0017806
 C    2.4681906   13.3108216    2.6114238  0.00   -0.0020846    0.0124731    0.0058075
 H    2.5966659   12.3201373    2.1993969  0.00   -0.0090562   -0.0032309   -0.0019854
 C   -0.0510684   12.8567343    2.7117620  0.00   -0.0049252    0.0064367    0.0044351
 C   -1.3254662   13.6628889    2.9274412  0.00   -0.0003922   -0.0015426    0.0000707
 C   -1.3063256   14.9257694    3.4612877  0.00   -0.0022385    0.0138543    0.0030915
 C    1.0760135   14.9959105    3.4657537  0.00   -0.0042470   -0.0004110   -0.0018336
 C    1.1717576   13.7378393    2.9283340  0.00    0.0159256    0.0040504    0.0016007
 C   -0.0164472   11.6951901    3.7181086  0.00    0.0001249    0.0004501    0.0002329
 H   -0.0285193   12.0630316    4.7460461  0.00    0.0003557   -0.0028385   -0.0028503
 H    0.8866027   11.0976497    3.5780856  0.00    0.0015479   -0.0009855    0.0039825
 H   -0.8813880   11.0440118    3.5766935  0.00   -0.0013652   -0.0014732    0.0042206
 C   -0.0339101   12.2922727    1.2855704  0.00    0.0004049    0.0003590    0.0002041
 H   -0.8919613   11.6409125    1.1172494  0.00   -0.0008075    0.0002928   -0.0038743
 H    0.8619204   11.6938781    1.1174484  0.00    0.0008106    0.0005177   -0.0036271
 H   -0.0580182   13.0919389    0.5429516  0.00    0.0000519   -0.0011072    0.0041385
 C   -5.1361599   13.3321461    2.4467954  0.00   -0.0079893    0.0003802   -0.0011132
 C   -6.0233515   13.3230210    3.6970471  0.00   -0.0029198   -0.0008800   -0.0004678
 H   -5.5847314   12.7096137    4.4877159  0.00    0.0003384    0.0036915    0.0011559
 H   -7.0060870   12.9115341    3.4543113  0.00   -0.0017430   -0.0011553    0.0007673
 H   -6.1791484   14.3292767    4.0919985  0.00    0.0029577   -0.0062294    0.0050375
 C   -5.7813265   14.2269370    1.3816397  0.00   -0.0038623   -0.0008993   -0.0005101
 H   -5.9153407   15.2509723    1.7377178  0.00    0.0044544   -0.0022718   -0.0068637
 H   -6.7681537   13.8393355    1.1170047  0.00   -0.0018763    0.0007009   -0.0029492
 H   -5.1753638   14.2576076    0.4727357  0.00    0.0006790    0.0026891    0.0021915
 C   -5.0720824   11.9089898    1.8992487  0.00   -0.0013952    0.0014568    0.0009004
 H   -4.4890347   11.8501548    0.9766734  0.00    0.0039096   -0.0012738    0.0057370
 H   -6.0833709   11.5685832    1.6671514  0.00    0.0034796   -0.0043749   -0.0017166
 H   -4.6512706   11.2094833    2.6261202  0.00    0.0048908    0.0027478   -0.0050194
 C    4.9975581   13.6382344    2.4587942  0.00    0.0086013    0.0026282   -0.0003208
 C    5.6087993   14.5866913    1.4207587  0.00    0.0038463   -0.0007309   -0.0007755
 H    6.6163581   14.2541576    1.1597062  0.00    0.0024800    0.0007639   -0.0031231
 H    5.6892966   15.6077818    1.8005465  0.00   -0.0036854   -0.0021917   -0.0075536
 H    5.0118363   14.6076094    0.5056537  0.00   -0.0004754    0.0024881    0.0018624
 C    5.8652903   13.6534651    3.7228321  0.00    0.0030408   -0.0009215   -0.0006732
 H    5.4513062   12.9985796    4.4932412  0.00   -0.0005711    0.0035667    0.0010150
 H    5.9546297   14.6583903    4.1412566  0.00   -0.0022113   -0.0066046    0.0049670
 H    6.8740800   13.3053171    3.4878672  0.00    0.0021471   -0.0011423    0.0007208
 C    5.0190747   12.2247750    1.8837719  0.00    0.0010721    0.0010916    0.0007626
 H    4.6333369   11.4881077    2.5931110  0.00   -0.0052306    0.0027723   -0.0047870
 H    6.0500773   11.9471052    1.6549168  0.00   -0.0033455   -0.0051071   -0.0019577
 H    4.4475103   12.1510849    0.9550734  0.00   -0.0038298   -0.0014860    0.0056460
 C   -3.1867441   17.9842925    4.2654484  0.00    0.0041304   -0.0031917   -0.0021171
 C   -3.9716163   18.1571582    5.4294183  0.00   -0.0016545   -0.0021779    0.0018080
 C   -4.9350018   19.1613549    5.4410559  0.00    0.0088844    0.0059831   -0.0021529
 H   -5.5521500   19.2929688    6.3217328  0.00    0.0030589    0.0002082    0.0073313
 C   -5.1376305   19.9791953    4.3469726  0.00   -0.0003187   -0.0092653   -0.0002591
 H   -5.9039443   20.7450818    4.3734654  0.00    0.0032648    0.0036790    0.0023465
 C   -4.3672788   19.8084875    3.2119374  0.00    0.0043675    0.0074984    0.0003856
 H   -4.5438422   20.4467987    2.3551691  0.00    0.0053167    0.0032286   -0.0029008
 C   -3.3869143   18.8253653    3.1417516  0.00    0.0031817   -0.0057840   -0.0007054
 C   -2.6350714   18.6456712    1.8389534  0.00   -0.0077616   -0.0013139    0.0010753
 H   -1.7438436   18.0368778    2.0386294  0.00   -0.0022732    0.0011060   -0.0033087
 C   -3.4905893   17.8766919    0.8297879  0.00    0.0005791   -0.0018713   -0.0042346
 H   -3.7815218   16.8967424    1.2078362  0.00    0.0039040   -0.0044530    0.0026730
 H   -2.9456858   17.7328956   -0.1059934  0.00    0.0061484    0.0015744   -0.0007038
 H   -4.4012227   18.4381189    0.6051025  0.00   -0.0003234   -0.0004364   -0.0047367
 C   -2.1842914   19.9706864    1.2304596  0.00    0.0033492   -0.0037035    0.0019242
 H   -3.0338743   20.5609705    0.8812707  0.00    0.0050225   -0.0019157   -0.0000066
 H   -1.5463152   19.7872987    0.3641137  0.00   -0.0023094    0.0036598    0.0008295
 H   -1.6271407   20.5862206    1.9409722  0.00   -0.0011909    0.0023576   -0.0015707
 C   -3.8600481   17.2549366    6.6378428  0.00   -0.0047243   -0.0021203   -0.0030737
 H   -2.9779877   16.6249672    6.5044385  0.00   -0.0049643    0.0003484    0.0019484
 C   -5.0751042   16.3318825    6.7348342  0.00   -0.0042001   -0.0042733    0.0012592
 H   -5.9945728   16.9117354    6.8469694  0.00   -0.0044762   -0.0027274    0.0024840
 H   -4.9883838   15.6748083    7.6032253  0.00    0.0035712   -0.0014039    0.0036154
 H   -5.1762451   15.7038269    5.8493460  0.00    0.0036235   -0.0031186   -0.0021178
 C   -3.7032039   18.0427725    7.9374214  0.00    0.0009890   -0.0015768   -0.0022164
 H   -2.8868732   18.7683541    7.8892204  0.00    0.0010859   -0.0008990    0.0009583
 H   -3.5042745   17.3625527    8.7689725  0.00    0.0000207    0.0036351    0.0011840
 H   -4.6128890   18.5953176    8.1837920  0.00    0.0052767   -0.0030887    0.0012650
 C    2.7547732   18.1631255    4.2821911  0.00   -0.0034503   -0.0046868    0.0011277
 C    2.9158252   18.9844571    3.1395144  0.00    0.0029926    0.0012437   -0.0038522
 C    3.7969315   20.0578899    3.2072997  0.00   -0.0108388   -0.0038135    0.0031663
 H    3.9397324   20.6848474    2.3354897  0.00   -0.0039147    0.0045719   -0.0068657
 C    4.5112729   20.3303259    4.3588716  0.00    0.0078480    0.0033094   -0.0076265
 H    5.2002911   21.1668213    4.3859184  0.00   -0.0070211   -0.0006708    0.0027734
 C    4.3589796   19.5207128    5.4674398  0.00   -0.0154069   -0.0051799    0.0046557
 H    4.9399380   19.7283880    6.3579249  0.00   -0.0025810    0.0001623    0.0072820
 C    3.4950525   18.4293066    5.4580568  0.00    0.0038902    0.0032202   -0.0014750
 C    3.4513714   17.5310873    6.6737105  0.00    0.0043321   -0.0016009   -0.0024589
 H    2.6174319   16.8376200    6.5460575  0.00    0.0054437    0.0005018    0.0015153
 C    4.7309087   16.6982645    6.7660573  0.00    0.0035325   -0.0036807    0.0006624
 H    4.8721361   16.0774907    5.8806787  0.00   -0.0029224   -0.0026399   -0.0021601
 H    4.6965316   16.0379739    7.6356797  0.00   -0.0034425   -0.0004658    0.0040110
 H    5.6064919   17.3437509    6.8716063  0.00    0.0036470   -0.0021953    0.0021335
 C    3.2423508   18.3087707    7.9713890  0.00   -0.0014217   -0.0012695   -0.0016014
 H    4.1125527   18.9212695    8.2184025  0.00   -0.0043192   -0.0024531    0.0006167
 H    3.0890173   17.6180051    8.8038428  0.00    0.0005665    0.0035167    0.0012272
 H    2.3788488   18.9774892    7.9216577  0.00   -0.0021200   -0.0012678    0.0022437
 C    2.2248805   18.6996554    1.8228290  0.00    0.0064534   -0.0014909    0.0012970
 H    1.4945367   17.8994759    1.9854817  0.00    0.0008937    0.0018119   -0.0022995
 C    1.4859421   19.9211889    1.2841752  0.00   -0.0012637   -0.0045833    0.0025123
 H    0.7658639   20.3181312    2.0052082  0.00    0.0020420    0.0024363   -0.0028196
 H    0.9444006   19.6646776    0.3714597  0.00    0.0006378    0.0027992    0.0013446
 H    2.1758321   20.7306294    1.0363094  0.00   -0.0048166   -0.0031100   -0.0002436
 C    3.2304543   18.1915200    0.7885601  0.00    0.0007853    0.0011074   -0.0042784
 H    3.9837317   18.9547928    0.5782303  0.00    0.0015762   -0.0000911   -0.0045019
 H    2.7272177   17.9512102   -0.1506463  0.00   -0.0061623   -0.0005677    0.0002096
 H    3.7456431   17.2955428    1.1363496  0.00   -0.0042879   -0.0053148    0.0015273
 C   -0.1860247   16.9583443    7.1258279  0.00   -0.0001048   -0.0023520    0.0003503
 H    0.6723962   17.4862616    7.5767343  0.00   -0.0009688    0.0036493   -0.0042874
 H   -1.0855773   17.4189880    7.5696867  0.00   -0.0001204    0.0041482   -0.0055259
 C    1.4362634   14.3174720    7.2362465  0.00    0.0004207   -0.0011077    0.0024067
 H    1.5389057   14.2822427    6.1486232  0.00    0.0018122    0.0005386    0.0004395
 H    1.4185964   13.2851522    7.5985228  0.00    0.0004896    0.0007407   -0.0005209
 H    2.3367520   14.7835091    7.6434213  0.00    0.0020851    0.0009638   -0.0006071
 C   -0.1264047   15.2402628    9.6770993  0.00    0.0003110   -0.0048407   -0.0008842
 H    0.7367155   15.7855813   10.0681595  0.00   -0.0022592    0.0004763    0.0009025
 H   -0.0884523   14.2249581   10.0821222  0.00   -0.0002591    0.0019775    0.0101335
 H   -1.0281590   15.7195034   10.0674985  0.00    0.0020759    0.0006798    0.0000465
 C   -1.6118538   14.2072546    7.2309761  0.00    0.0003568   -0.0021832    0.0028417
 H   -2.5456703   14.6048237    7.6357355  0.00   -0.0006468    0.0016657   -0.0000362
 H   -1.5180426   13.1790882    7.5932877  0.00   -0.0030108   -0.0010132   -0.0013872
 H   -1.7086632   14.1648510    6.1430592  0.00   -0.0010943    0.0007530    0.0007134
129
 Energy =   -2867.2890168250
 O   -0.1337906   15.5721948    3.8421350  0.00   -0.0016507    0.0065991    0.0001973
Th   -0.2018916   17.7788765    4.8812524  0.00    0.0000336   -0.0057326    0.0083929
Si   -0.1224971   15.1944170    7.8023634  0.00   -0.0002643    0.0116506   -0.0042206
 N   -2.1784930   16.9764113    4.2100130  0.00   -0.0019991   -0.0123939   -0.0058194
 N    1.8225160   17.0852361    4.2358565  0.00    0.0018439   -0.0096077   -0.0058037
 C   -2.5931372   13.1571040    2.6099817  0.00   -0.0009892    0.0128391    0.0054845
 H   -2.6586632   12.1592697    2.2000413  0.00    0.0044699    0.0003521   -0.0007596
 C   -3.7589937   13.8863316    2.8034245  0.00   -0.0003538   -0.0012235   -0.0011355
 C   -3.6657148   15.1782788    3.3350239  0.00   -0.0012647    0.0017483    0.0004394
 H   -4.5555445   15.7784023    3.4817476  0.00    0.0024758    0.0017621   -0.0001373
 C   -2.4364459   15.7167723    3.6727719  0.00   -0.0014521    0.0081396   -0.0003803
 C    2.1569153   15.8505389    3.6856679  0.00   -0.0001588    0.0034643   -0.0021114
 C    3.4164193   15.3918199    3.3430595  0.00   -0.0014293   -0.0029545   -0.0003688
 H    4.2679583   16.0434809    3.4960845  0.00   -0.0004589    0.0023686    0.0005136
 C    3.5880124   14.1093587    2.8072320  0.00   -0.0001484    0.0050684    0.0016268
 C    2.4686460   13.3112738    2.6113369  0.00    0.0064043    0.0040891    0.0016993
 H    2.5955907   12.3199734    2.1991562  0.00   -0.0059670    0.0041895    0.0007286
 C   -0.0512395   12.8568842    2.7119706  0.00    0.0029974    0.0089959    0.0036381
 C   -1.3259094   13.6629865    2.9275680  0.00   -0.0045977    0.0065683    0.0015524
 C   -1.3066269   14.9264627    3.4612992  0.00    0.0018494    0.0013515   -0.0010727
 C    1.0761166   14.9962779    3.4657487  0.00    0.0029342    0.0040555    0.0000882
 C    1.1726470   13.7380728    2.9285567  0.00   -0.0047564    0.0075395    0.0030298
 C   -0.0164263   11.6951716    3.7175599  0.00   -0.0006043    0.0002377    0.0036493
 H   -0.0284392   12.0621356    4.7455657  0.00    0.0002480   -0.0014369    0.0007628
 H    0.8863369   11.0976040    3.5774215  0.00    0.0048373   -0.0022032    0.0027606
 H   -0.8810832   11.0439355    3.5760833  0.00   -0.0043508   -0.0029331    0.0032906
 C   -0.0338821   12.2919139    1.2861069  0.00   -0.0007567    0.0022007   -0.0001095
 H   -0.8917323   11.6405049    1.1176132  0.00   -0.0027465   -0.0007024   -0.0032033
 H    0.8617197   11.6934799    1.1178903  0.00    0.0033695   -0.0005753   -0.0028765
 H   -0.0580012   13.0912218    0.5435002  0.00    0.0000239    0.0017730    0.0002689
 C   -5.1368178   13.3319778    2.4466005  0.00   -0.0031774    0.0015135    0.0000220
 C   -6.0232779   13.3225475    3.6968526  0.00   -0.0035210    0.0004919    0.0031966
 H   -5.5848112   12.7092160    4.4875059  0.00    0.0020030    0.0018334    0.0012277
 H   -7.0058887   12.9115001    3.4546124  0.00   -0.0075793   -0.0040376   -0.0009694
 H   -6.1790343   14.3283443    4.0923254  0.00    0.0028804   -0.0019170    0.0056373
 C   -5.7813491   14.2264159    1.3814228  0.00   -0.0040489    0.0024076   -0.0023522
 H   -5.9150726   15.2504083    1.7369315  0.00    0.0040243    0.0017372   -0.0046720
 H   -6.7679925   13.8395411    1.1166033  0.00   -0.0075867   -0.0021706   -0.0044387
 H   -5.1753487   14.2570698    0.4727120  0.00    0.0022791    0.0016143    0.0005181
 C   -5.0721863   11.9091928    1.8992611  0.00    0.0006076   -0.0026753   -0.0006147
 H   -4.4892880   11.8497778    0.9770109  0.00    0.0072542    0.0007243    0.0009643
 H   -6.0826350   11.5677608    1.6668349  0.00   -0.0041678   -0.0040032   -0.0023178
 H   -4.6514206   11.2094254    2.6254137  0.00    0.0073406    0.0008675    0.0004548
 C    4.9982716   13.6381653    2.4586148  0.00    0.0033953    0.0000902   -0.0005752
 C    5.6089250   14.5861256    1.4204667  0.00    0.0038166    0.0030647   -0.0024178
 H    6.6162738   14.2542890    1.1592553  0.00    0.0081231   -0.0018619   -0.0044360
 H    5.6891818   15.6072043    1.7996222  0.00   -0.0035580    0.0017417   -0.0054045
 H    5.0119365   14.6069512    0.5055415  0.00   -0.0020321    0.0014431    0.0002141
 C    5.8653032   13.6529328    3.7225850  0.00    0.0035770    0.0008806    0.0034903
 H    5.4514410   12.9981190    4.4929495  0.00   -0.0021309    0.0015959    0.0010891
 H    5.9546753   14.6573661    4.1415765  0.00   -0.0024166   -0.0023397    0.0056917
 H    6.8739168   13.3051852    3.4881084  0.00    0.0082189   -0.0037106   -0.0010770
 C    5.0191875   12.2249504    1.8837906  0.00   -0.0000019   -0.0024047   -0.0005792
 H    4.6335079   11.4881054    2.5924503  0.00   -0.0077987    0.0005163    0.0006233
 H    6.0493997   11.9460969    1.6545577  0.00    0.0040566   -0.0039823   -0.0023274
 H    4.4478339   12.1507296    0.9554074  0.00   -0.0075205    0.0002786    0.0007143
 C   -3.1866453   17.9855780    4.2657552  0.00    0.0034906   -0.0154031   -0.0007455
 C   -3.9718697   18.1578157    5.4295163  0.00   -0.0016574   -0.0021919    0.0004834
 C   -4.9346901   19.1625347    5.4411831  0.00    0.0084597   -0.0049770    0.0104662
 H   -5.5512633   19.2933752    6.3224853  0.00    0.0025460    0.0024319    0.0047713
 C   -5.1373102   19.9800674    4.3474926  0.00   -0.0039549    0.0074666   -0.0041120
 H   -5.9025310   20.7474148    4.3746914  0.00    0.0055142   -0.0003834    0.0018191
 C   -4.3670863   19.8096818    3.2125140  0.00    0.0119344   -0.0013715   -0.0008144
 H   -4.5425222   20.4475832    2.3556130  0.00    0.0023080    0.0080826   -0.0058479
 C   -3.3870245   18.8259543    3.1420535  0.00   -0.0018055    0.0009707   -0.0047275
 C   -2.6357752   18.6455024    1.8390977  0.00   -0.0042962    0.0008335   -0.0010159
 H   -1.7447371   18.0365300    2.0387102  0.00   -0.0011935    0.0003065   -0.0019141
 C   -3.4902130   17.8763075    0.8290604  0.00    0.0005352   -0.0006362   -0.0025756
 H   -3.7797552   16.8957522    1.2068656  0.00    0.0021797   -0.0025641    0.0009181
 H   -2.9435062   17.7333826   -0.1059092  0.00    0.0043854    0.0017017   -0.0001140
 H   -4.4011457   18.4371851    0.6031810  0.00    0.0022343   -0.0035318   -0.0031552
 C   -2.1839482   19.9701564    1.2307755  0.00   -0.0001088   -0.0015481    0.0009182
 H   -3.0327262   20.5610414    0.8812137  0.00    0.0006459   -0.0008026   -0.0005185
 H   -1.5463865   19.7871676    0.3642348  0.00    0.0012106    0.0016731    0.0003681
 H   -1.6273368   20.5858788    1.9413430  0.00    0.0015861    0.0024563    0.0002905
 C   -3.8607347   17.2548453    6.6373986  0.00   -0.0011251   -0.0023884   -0.0017327
 H   -2.9786810   16.6248006    6.5035272  0.00   -0.0066960    0.0012800    0.0017190
 C   -5.0754837   16.3313535    6.7351702  0.00   -0.0014141   -0.0049424    0.0001569
 H   -5.9957140   16.9102164    6.8477324  0.00   -0.0016094   -0.0042998    0.0009927
 H   -4.9868442   15.6749233    7.6040254  0.00    0.0014878   -0.0005651    0.0016210
 H   -5.1753726   15.7025087    5.8498917  0.00    0.0011876   -0.0015660    0.0009243
 C   -3.7027938   18.0422406    7.9369807  0.00    0.0015232   -0.0009821    0.0000867
 H   -2.8865887   18.7678909    7.8884228  0.00    0.0021266   -0.0015711    0.0010689
 H   -3.5042781   17.3623616    8.7689325  0.00    0.0021050    0.0027889   -0.0005491
 H   -4.6118212   18.5950364    8.1840486  0.00    0.0004966   -0.0006044    0.0012914
 C    2.7542985   18.1643467    4.2825488  0.00   -0.0000937   -0.0103163   -0.0050860
 C    2.9159455   18.9853346    3.1396212  0.00   -0.0054411   -0.0108160   -0.0011042
 C    3.7962697   20.0586541    3.2077199  0.00   -0.0032097    0.0079894   -0.0039497
 H    3.9382116   20.6854422    2.3354954  0.00   -0.0028774    0.0049856   -0.0048504
 C    4.5110062   20.3315637    4.3588501  0.00   -0.0037428   -0.0051119    0.0036977
 H    5.1984316   21.1688778    4.3867058  0.00   -0.0023844    0.0032412    0.0017993
 C    4.3582634   19.5215377    5.4676262  0.00   -0.0034230    0.0077539   -0.0012976
 H    4.9390395   19.7288241    6.3582963  0.00   -0.0020073    0.0014070    0.0072208
 C    3.4951981   18.4302676    5.4579714  0.00   -0.0034523   -0.0094884    0.0025876
 C    3.4519430   17.5311935    6.6732849  0.00    0.0019063   -0.0005618   -0.0026764
 H    2.6180692   16.8376237    6.5451363  0.00    0.0068469    0.0014469    0.0012008
 C    4.7312413   16.6979339    6.7664624  0.00    0.0008511   -0.0042982    0.0001969
 H    4.8715054   16.0761516    5.8814484  0.00   -0.0011326   -0.0013256    0.0007258
 H    4.6948154   16.0384068    7.6367392  0.00   -0.0014186    0.0000677    0.0019722
 H    5.6077684   17.3423292    6.8724508  0.00    0.0006673   -0.0033470    0.0006976
 C    3.2419014   18.3082297    7.9711108  0.00   -0.0017360   -0.0009876   -0.0001551
 H    4.1114850   18.9208775    8.2188341  0.00    0.0000254    0.0002331    0.0006947
 H    3.0891894   17.6175683    8.8037878  0.00   -0.0019756    0.0027251   -0.0003348
 H    2.3784290   18.9769473    7.9212861  0.00   -0.0026641   -0.0019567    0.0021923
 C    2.2255286   18.6995622    1.8229117  0.00    0.0036767    0.0018237   -0.0007154
 H    1.4952996   17.8993211    1.9853928  0.00    0.0005167    0.0011494   -0.0003872
 C    1.4859644   19.9206395    1.2844151  0.00   -0.0002214   -0.0016747    0.0008854
 H    0.7663625   20.3181142    2.0053901  0.00   -0.0010468    0.0015814   -0.0003233
 H    0.9445619   19.6647333    0.3716247  0.00   -0.0017106    0.0004739    0.0002029
 H    2.1749909   20.7304622    1.0363644  0.00   -0.0001962   -0.0010229   -0.0010931
 C    3.2301824   18.1911574    0.7878355  0.00    0.0001978    0.0007391   -0.0027898
 H    3.9838859   18.9540174    0.5765094  0.00   -0.0000927   -0.0037319   -0.0034405
 H    2.7250821   17.9510306   -0.1505108  0.00   -0.0044612    0.0007622    0.0003025
 H    3.7440232   17.2941787    1.1352226  0.00   -0.0025098   -0.0032043    0.0006495
 C   -0.1860849   16.9586282    7.1259264  0.00   -0.0001943    0.0005337    0.0044537
 H    0.6720641   17.4867603    7.5777910  0.00   -0.0030029    0.0002140   -0.0070389
 H   -1.0854906   17.4195427    7.5705021  0.00    0.0022538    0.0007796   -0.0079855
 C    1.4364749   14.3176524    7.2363390  0.00    0.0008337   -0.0017150    0.0015602
 H    1.5392850   14.2823748    6.1488815  0.00    0.0015651    0.0008046   -0.0015784
 H    1.4189623   13.2854839    7.5984683  0.00    0.0005443   -0.0028990    0.0005521
 H    2.3368774   14.7835121    7.6435474  0.00    0.0030906    0.0024424    0.0004930
 C   -0.1264074   15.2401131    9.6771072  0.00    0.0002635   -0.0047965    0.0011113
 H    0.7365289   15.7856220   10.0678798  0.00   -0.0003913    0.0032930    0.0010334
 H   -0.0885721   14.2259792   10.0846510  0.00   -0.0000669   -0.0020658    0.0078447
 H   -1.0280842   15.7195579   10.0670209  0.00    0.0000442    0.0033563    0.0001743
 C   -1.6119476   14.2073303    7.2311394  0.00   -0.0003057   -0.0023337    0.0017603
 H   -2.5455093   14.6050800    7.6359823  0.00   -0.0018316    0.0029259    0.0008114
 H   -1.5188274   13.1791972    7.5931309  0.00   -0.0022656   -0.0043810   -0.0001388
 H   -1.7089018   14.1650935    6.1433697  0.00   -0.0010637    0.0009411   -0.0012583
129
 Energy =   -2867.2890347290
 O   -0.1337394   15.5712315    3.8418618  0.00    0.0007121    0.0021912   -0.0025713
Th   -0.2018415   17.7782769    4.8803694  0.00    0.0000332   -0.0064639    0.0086508
Si   -0.1225792   15.1956600    7.8024173  0.00   -0.0003799    0.0123038   -0.0029008
 N   -2.1783377   16.9753576    4.2093269  0.00   -0.0009295   -0.0108126   -0.0030948
 N    1.8224368   17.0841679    4.2351187  0.00    0.0019962   -0.0095817   -0.0042821
 C   -2.5935353   13.1561251    2.6092460  0.00    0.0021602    0.0055811    0.0028692
 H   -2.6580928   12.1579439    2.1991179  0.00    0.0022724    0.0056210    0.0012924
 C   -3.7594525   13.8851343    2.8025765  0.00    0.0017716    0.0048758    0.0022127
 C   -3.6660043   15.1773345    3.3343902  0.00    0.0043219   -0.0041384   -0.0014764
 H   -4.5557974   15.7771269    3.4812649  0.00    0.0002437    0.0042531    0.0003609
 C   -2.4364991   15.7158655    3.6720722  0.00   -0.0048723    0.0055813   -0.0014336
 C    2.1572406   15.8495665    3.6849191  0.00   -0.0017156    0.0030935   -0.0017714
 C    3.4167354   15.3906635    3.3423785  0.00    0.0016469   -0.0009433   -0.0000355
 H    4.2685845   16.0420484    3.4955268  0.00   -0.0022584    0.0025293    0.0005781
 C    3.5886938   14.1082928    2.8064466  0.00   -0.0062651   -0.0001138    0.0006397
 C    2.4692159   13.3100906    2.6104832  0.00    0.0020681    0.0073199    0.0036878
 H    2.5951679   12.3186637    2.1981789  0.00   -0.0035910    0.0053308    0.0010411
 C   -0.0511361   12.8557015    2.7114400  0.00    0.0009194    0.0083722    0.0031686
 C   -1.3263113   13.6618547    2.9270183  0.00    0.0030533    0.0091335    0.0022946
 C   -1.3066031   14.9254925    3.4607252  0.00   -0.0002418   -0.0000299   -0.0015718
 C    1.0763656   14.9952050    3.4651516  0.00    0.0017065    0.0075057    0.0018434
 C    1.1730768   13.7370564    2.9280848  0.00   -0.0060680    0.0026252   -0.0000783
 C   -0.0163781   11.6935590    3.7164555  0.00    0.0003079   -0.0017851    0.0026639
 H   -0.0283174   12.0596443    4.7445121  0.00    0.0001403    0.0002280    0.0046591
 H    0.8863691   11.0959022    3.5759711  0.00    0.0040233   -0.0012185    0.0027080
 H   -0.8809760   11.0422349    3.5746669  0.00   -0.0040371   -0.0020242    0.0030696
 C   -0.0338488   12.2898050    1.2858703  0.00    0.0003450    0.0019034   -0.0000734
 H   -0.8916189   11.6381456    1.1176066  0.00   -0.0024651    0.0001847   -0.0022646
 H    0.8617243   11.6910966    1.1178920  0.00    0.0025022    0.0005256   -0.0021298
 H   -0.0579339   13.0884276    0.5427682  0.00   -0.0000379    0.0038539   -0.0017372
 C   -5.1373110   13.3308969    2.4459809  0.00    0.0004440    0.0001741    0.0001376
 C   -6.0232461   13.3215077    3.6963749  0.00   -0.0055251   -0.0008766    0.0029740
 H   -5.5848639   12.7081454    4.4869459  0.00    0.0027190    0.0003866    0.0013863
 H   -7.0060302   12.9108354    3.4542436  0.00   -0.0078698   -0.0041759   -0.0004987
 H   -6.1784944   14.3270427    4.0921356  0.00    0.0019797    0.0015484    0.0063506
 C   -5.7814555   14.2253462    1.3808968  0.00   -0.0049831    0.0016795   -0.0040131
 H   -5.9145755   15.2492576    1.7361889  0.00    0.0029255    0.0050087   -0.0031621
 H   -6.7682103   13.8388451    1.1161151  0.00   -0.0081910   -0.0021772   -0.0048775
 H   -5.1754190   14.2559661    0.4722648  0.00    0.0026008    0.0007547   -0.0002303
 C   -5.0730407   11.9081687    1.8986588  0.00   -0.0002045   -0.0040640   -0.0019409
 H   -4.4904178   11.8481425    0.9764191  0.00    0.0084607    0.0021221   -0.0009611
 H   -6.0835181   11.5668848    1.6662908  0.00   -0.0051129   -0.0037042   -0.0022469
 H   -4.6524447   11.2079803    2.6242571  0.00    0.0083319    0.0002026    0.0034610
 C    4.9989334   13.6369616    2.4579130  0.00    0.0002155    0.0008983    0.0003658
 C    5.6092036   14.5849319    1.4198296  0.00    0.0052565    0.0017085   -0.0041125
 H    6.6166679   14.2534439    1.1586709  0.00    0.0083277   -0.0016761   -0.0047713
 H    5.6888921   15.6059093    1.7987024  0.00   -0.0027117    0.0052099   -0.0037003
 H    5.0121923   14.6056482    0.5049755  0.00   -0.0023389    0.0006593   -0.0005991
 C    5.8654448   13.6517706    3.7220311  0.00    0.0059705   -0.0008283    0.0028908
 H    5.4516452   12.9969272    4.4922924  0.00   -0.0027375    0.0001022    0.0012883
 H    5.9543651   14.6558842    4.1412993  0.00   -0.0017765    0.0013958    0.0065218
 H    6.8742040   13.3043634    3.4876572  0.00    0.0083549   -0.0037686   -0.0004893
 C    5.0202336   12.2238555    1.8831556  0.00   -0.0002317   -0.0042162   -0.0020082
 H    4.6347302   11.4866242    2.5912873  0.00   -0.0087075   -0.0001075    0.0033705
 H    6.0504310   11.9450907    1.6539767  0.00    0.0052532   -0.0034834   -0.0022009
 H    4.4491843   12.1490208    0.9547573  0.00   -0.0086901    0.0016064   -0.0009629
 C   -3.1853806   17.9853602    4.2660121  0.00   -0.0010841   -0.0097564   -0.0087387
 C   -3.9704466   18.1583105    5.4298269  0.00    0.0021022   -0.0062961    0.0015646
 C   -4.9320049   19.1639267    5.4423663  0.00    0.0046018    0.0017138   -0.0018959
 H   -5.5481691   19.2947817    6.3237662  0.00    0.0011628    0.0033178    0.0065847
 C   -5.1344723   19.9821068    4.3484821  0.00    0.0016772    0.0010100    0.0088153
 H   -5.8983383   20.7505553    4.3766576  0.00    0.0032963    0.0006777    0.0006809
 C   -4.3640097   19.8115505    3.2138479  0.00    0.0079754    0.0030580   -0.0083859
 H   -4.5385676   20.4500828    2.3569398  0.00    0.0023890    0.0062378   -0.0023941
 C   -3.3852680   18.8268263    3.1425002  0.00    0.0009423   -0.0067140    0.0038410
 C   -2.6341965   18.6463256    1.8397687  0.00    0.0011965    0.0002641   -0.0031326
 H   -1.7429628   18.0374196    2.0393736  0.00   -0.0024895    0.0006008   -0.0014422
 C   -3.4876375   17.8769630    0.8290352  0.00    0.0012174   -0.0017302   -0.0010946
 H   -3.7759812   16.8957712    1.2065082  0.00    0.0014062   -0.0003546   -0.0006625
 H   -2.9399279   17.7351838   -0.1055807  0.00    0.0030972    0.0013218    0.0002976
 H   -4.3988876   18.4372912    0.6029480  0.00    0.0022923   -0.0046561   -0.0030029
 C   -2.1819439   19.9708840    1.2318680  0.00   -0.0000656    0.0022499    0.0005166
 H   -3.0302887   20.5618602    0.8817987  0.00   -0.0020377    0.0000381   -0.0009274
 H   -1.5441641   19.7885165    0.3654379  0.00    0.0024334    0.0002517    0.0004767
 H   -1.6259902   20.5870213    1.9427014  0.00    0.0015597    0.0007757   -0.0001045
 C   -3.8594849   17.2551226    6.6374560  0.00   -0.0024108   -0.0006371    0.0013766
 H   -2.9775589   16.6252401    6.5035080  0.00   -0.0046136   -0.0009325    0.0010599
 C   -5.0741298   16.3314257    6.7357743  0.00    0.0008203   -0.0030162    0.0008001
 H   -5.9946520   16.9100720    6.8481271  0.00   -0.0000388   -0.0056238    0.0002046
 H   -4.9846609   15.6758550    7.6052465  0.00    0.0001506   -0.0008848    0.0005414
 H   -5.1731186   15.7019670    5.8508390  0.00   -0.0005385   -0.0019024    0.0013352
 C   -3.7009524   18.0425046    7.9370070  0.00    0.0006491    0.0001296    0.0000859
 H   -2.8852617   18.7686911    7.8880607  0.00    0.0025981   -0.0020463    0.0008179
 H   -3.5019927   17.3630593    8.7690967  0.00    0.0032400    0.0010966   -0.0003648
 H   -4.6099270   18.5948755    8.1847476  0.00   -0.0014399    0.0005650    0.0010920
 C    2.7530184   18.1642144    4.2825111  0.00    0.0020277   -0.0116651   -0.0057774
 C    2.9137290   18.9858947    3.1399815  0.00    0.0018452   -0.0023128    0.0010897
 C    3.7928358   20.0607087    3.2086673  0.00   -0.0094505   -0.0022186   -0.0073753
 H    3.9334360   20.6878605    2.3365025  0.00   -0.0017130    0.0057572   -0.0038589
 C    4.5076070   20.3332799    4.3596608  0.00   -0.0004675    0.0066470    0.0027524
 H    5.1936507   21.1720437    4.3881381  0.00   -0.0041499   -0.0008055    0.0013531
 C    4.3555079   19.5231822    5.4681170  0.00   -0.0065065   -0.0043700    0.0042337
 H    4.9359447   19.7301390    6.3591620  0.00   -0.0023181    0.0027712    0.0056370
 C    3.4936453   18.4305614    5.4580949  0.00   -0.0002053   -0.0026008   -0.0003011
 C    3.4506744   17.5316687    6.6732063  0.00    0.0019730   -0.0005022    0.0013228
 H    2.6169608   16.8381756    6.5449470  0.00    0.0051141   -0.0007488    0.0008020
 C    4.7298052   16.6981329    6.7673831  0.00   -0.0007874   -0.0025872    0.0008355
 H    4.8694554   16.0753222    5.8829910  0.00    0.0002134   -0.0014708    0.0012235
 H    4.6923021   16.0397939    7.6385706  0.00   -0.0001946   -0.0003066    0.0006975
 H    5.6067202   17.3422146    6.8731245  0.00   -0.0008280   -0.0044015   -0.0001107
 C    3.2397904   18.3087352    7.9709551  0.00   -0.0005346    0.0006981   -0.0001841
 H    4.1096793   18.9203926    8.2198118  0.00    0.0010943    0.0013131    0.0003200
 H    3.0857789   17.6184758    8.8036515  0.00   -0.0028411    0.0012691   -0.0004843
 H    2.3771912   18.9785574    7.9203391  0.00   -0.0026077   -0.0028260    0.0019898
 C    2.2237216   18.7004122    1.8233638  0.00   -0.0021347   -0.0010399   -0.0025547
 H    1.4929298   17.9004925    1.9858231  0.00    0.0018589    0.0017402   -0.0005614
 C    1.4844607   19.9215115    1.2849213  0.00   -0.0012626    0.0021106    0.0004178
 H    0.7653702   20.3199884    2.0058642  0.00   -0.0012397    0.0000266    0.0000275
 H    0.9428040   19.6662518    0.3721734  0.00   -0.0023422   -0.0011770    0.0000482
 H    2.1734407   20.7310933    1.0364909  0.00    0.0021740    0.0001663   -0.0016110
 C    3.2275749   18.1913106    0.7878836  0.00   -0.0005768   -0.0020217   -0.0010509
 H    3.9818841   18.9535271    0.5763705  0.00    0.0002008   -0.0046817   -0.0034578
 H    2.7213609   17.9517179   -0.1500459  0.00   -0.0031715    0.0013037    0.0003168
 H    3.7400847   17.2933551    1.1351482  0.00   -0.0019463   -0.0006674   -0.0006164
 C   -0.1860820   16.9601495    7.1261631  0.00   -0.0001526   -0.0010495    0.0044957
 H    0.6719269   17.4881222    7.5783330  0.00   -0.0020668    0.0000094   -0.0075864
 H   -1.0851809   17.4212016    7.5710698  0.00    0.0012802    0.0003878   -0.0084729
 C    1.4363444   14.3188098    7.2365883  0.00    0.0012672   -0.0011193    0.0008567
 H    1.5392595   14.2835568    6.1491587  0.00    0.0016138    0.0007226   -0.0020750
 H    1.4185791   13.2866656    7.5985872  0.00    0.0005418   -0.0038352    0.0009590
 H    2.3368594   14.7844217    7.6438296  0.00    0.0028500    0.0025367    0.0006946
 C   -0.1265835   15.2415249    9.6771655  0.00    0.0002050   -0.0026381    0.0027378
 H    0.7362180   15.7873815   10.0677618  0.00   -0.0001797    0.0037609    0.0008324
 H   -0.0888237   14.2280906   10.0862292  0.00    0.0000269   -0.0039488    0.0063317
 H   -1.0282169   15.7213270   10.0667568  0.00   -0.0001884    0.0038231   -0.0000355
 C   -1.6119844   14.2084624    7.2314041  0.00   -0.0007429   -0.0016869    0.0009574
 H   -2.5455788   14.6061212    7.6362545  0.00   -0.0016969    0.0030235    0.0009364
 H   -1.5188596   13.1803378    7.5932551  0.00   -0.0019352   -0.0050667    0.0003102
 H   -1.7089998   14.1662678    6.1436566  0.00   -0.0012157    0.0008621   -0.0017717
129
 Energy =   -2867.2890611610
 O   -0.1334672   15.5685196    3.8409486  0.00   -0.0006292    0.0007788   -0.0037441
Th   -0.2016498   17.7762975    4.8786470  0.00   -0.0000221   -0.0057152    0.0068528
Si   -0.1228272   15.1991706    7.8025013  0.00   -0.0000781    0.0052385    0.0013743
 N   -2.1777896   16.9725004    4.2079278  0.00   -0.0026476   -0.0064541   -0.0007033
 N    1.8222396   17.0812575    4.2335497  0.00    0.0040619   -0.0068916   -0.0013450
 C   -2.5938536   13.1536563    2.6076056  0.00    0.0059800   -0.0020686   -0.0000071
 H   -2.6574651   12.1551530    2.1971176  0.00   -0.0000097    0.0113105    0.0036182
 C   -3.7597716   13.8824751    2.8009323  0.00    0.0018997    0.0038728    0.0025919
 C   -3.6659074   15.1746589    3.3329453  0.00   -0.0048491   -0.0028678   -0.0023560
 H   -4.5560570   15.7741798    3.4801102  0.00    0.0030258    0.0036324    0.0000264
 C   -2.4366924   15.7134071    3.6704722  0.00    0.0037026    0.0040575   -0.0002198
 C    2.1578995   15.8470614    3.6832276  0.00   -0.0104736    0.0006543   -0.0006572
 C    3.4171247   15.3877913    3.3408808  0.00    0.0090224    0.0010876   -0.0006677
 H    4.2694598   16.0386971    3.4942105  0.00   -0.0043873    0.0027113    0.0006571
 C    3.5893823   14.1055022    2.8047304  0.00   -0.0061935   -0.0038624   -0.0001921
 C    2.4699238   13.3073661    2.6086822  0.00   -0.0047565    0.0066008    0.0040107
 H    2.5948301   12.3158135    2.1960344  0.00   -0.0010308    0.0073214    0.0018211
 C   -0.0509423   12.8529613    2.7101313  0.00   -0.0007604    0.0015140    0.0011675
 C   -1.3265566   13.6592720    2.9256627  0.00    0.0090996    0.0091338    0.0020891
 C   -1.3065168   14.9230099    3.4594006  0.00   -0.0015809   -0.0028009   -0.0028261
 C    1.0766690   14.9926754    3.4638403  0.00    0.0048423    0.0034204   -0.0005128
 C    1.1735836   13.7344030    2.9267024  0.00   -0.0072805    0.0023336   -0.0008203
 C   -0.0162157   11.6896181    3.7141105  0.00    0.0000936   -0.0000828    0.0044481
 H   -0.0280742   12.0543307    4.7425572  0.00    0.0001146    0.0008684    0.0064315
 H    0.8865675   11.0919602    3.5729166  0.00    0.0024610    0.0003520    0.0026038
 H   -0.8808960   11.0382940    3.5716621  0.00   -0.0022325    0.0000584    0.0029103
 C   -0.0337153   12.2850166    1.2850465  0.00    0.0001481    0.0041676   -0.0013663
 H   -0.8914719   11.6328456    1.1174309  0.00   -0.0005703    0.0027568   -0.0005449
 H    0.8618071   11.6857540    1.1176912  0.00    0.0008321    0.0027210   -0.0007379
 H   -0.0577886   13.0823942    0.5406682  0.00    0.0000292    0.0045776   -0.0024646
 C   -5.1379650   13.3283701    2.4446298  0.00    0.0022501   -0.0007667   -0.0000606
 C   -6.0234079   13.3191881    3.6953807  0.00   -0.0055040   -0.0002046    0.0020626
 H   -5.5848762   12.7057215    4.4857439  0.00    0.0023108   -0.0013428    0.0009720
 H   -7.0066043   12.9092210    3.4532871  0.00   -0.0064260   -0.0033189    0.0010887
 H   -6.1773225   14.3246620    4.0916613  0.00    0.0002956    0.0026503    0.0059527
 C   -5.7818235   14.2230571    1.3795965  0.00   -0.0049967    0.0019668   -0.0028280
 H   -5.9135741   15.2470911    1.7348705  0.00    0.0010037    0.0057235   -0.0027530
 H   -6.7689657   13.8371023    1.1150350  0.00   -0.0063747   -0.0007344   -0.0049286
 H   -5.1755402   14.2535651    0.4711783  0.00    0.0020624   -0.0005105   -0.0014917
 C   -5.0750374   11.9055129    1.8971246  0.00    0.0008790   -0.0048505   -0.0017871
 H   -4.4927685   11.8446111    0.9747339  0.00    0.0082768    0.0035834   -0.0017236
 H   -6.0860673   11.5651402    1.6651185  0.00   -0.0027834   -0.0028786   -0.0016671
 H   -4.6546127   11.2045837    2.6221184  0.00    0.0077934    0.0010261    0.0047441
 C    4.9999765   13.6342124    2.4564041  0.00   -0.0017115    0.0003327    0.0003281
 C    5.6099614   14.5823393    1.4183014  0.00    0.0049367    0.0021423   -0.0028755
 H    6.6177791   14.2514055    1.1573962  0.00    0.0065190   -0.0004128   -0.0048095
 H    5.6882939   15.6034255    1.7970362  0.00   -0.0009193    0.0058390   -0.0032911
 H    5.0127006   14.6028388    0.5036421  0.00   -0.0016166   -0.0005165   -0.0017125
 C    5.8660010   13.6491754    3.7208628  0.00    0.0057504   -0.0000626    0.0020566
 H    5.4519947   12.9942418    4.4909017  0.00   -0.0020914   -0.0015017    0.0008153
 H    5.9536447   14.6531372    4.1406331  0.00   -0.0001594    0.0025200    0.0061207
 H    6.8751016   13.3024361    3.4865421  0.00    0.0069280   -0.0030618    0.0011094
 C    5.0226211   12.2210216    1.8815349  0.00   -0.0012215   -0.0049719   -0.0019388
 H    4.6373522   11.4831156    2.5890969  0.00   -0.0083610    0.0006672    0.0046492
 H    6.0533186   11.9431393    1.6527407  0.00    0.0026926   -0.0026037   -0.0015026
 H    4.4520168   12.1452967    0.9529514  0.00   -0.0087045    0.0030539   -0.0016479
 C   -3.1827368   17.9844253    4.2659470  0.00   -0.0061611   -0.0096729   -0.0030088
 C   -3.9667727   18.1588069    5.4305540  0.00    0.0003930   -0.0006574   -0.0036406
 C   -4.9259980   19.1670496    5.4443250  0.00    0.0047468   -0.0090326    0.0068837
 H   -5.5413727   19.2979844    6.3266481  0.00    0.0039166    0.0041431    0.0016986
 C   -5.1275224   19.9861109    4.3514073  0.00    0.0050369    0.0107977   -0.0031915
 H   -5.8892777   20.7569185    4.3806344  0.00    0.0049956   -0.0027258    0.0007425
 C   -4.3570248   19.8156505    3.2162587  0.00    0.0048952   -0.0037102   -0.0001988
 H   -4.5298301   20.4555697    2.3599698  0.00    0.0022285    0.0057721   -0.0005551
 C   -3.3809612   18.8280354    3.1438879  0.00   -0.0015545    0.0001196   -0.0022377
 C   -2.6298231   18.6482975    1.8411154  0.00    0.0033742   -0.0001757   -0.0015700
 H   -1.7384950   18.0396833    2.0408911  0.00   -0.0005981   -0.0006659   -0.0013226
 C   -3.4817025   17.8786020    0.8293838  0.00    0.0041273   -0.0012433   -0.0002497
 H   -3.7679721   16.8964123    1.2060332  0.00    0.0001416    0.0008050   -0.0021942
 H   -2.9325712   17.7391783   -0.1048211  0.00    0.0010446    0.0000782    0.0004809
 H   -4.3935771   18.4378449    0.6032828  0.00    0.0014668   -0.0055339   -0.0028884
 C   -2.1774170   19.9731049    1.2342387  0.00    0.0011560    0.0047618   -0.0010786
 H   -3.0253066   20.5638036    0.8831544  0.00   -0.0053126    0.0012788   -0.0015096
 H   -1.5387956   19.7916723    0.3682256  0.00    0.0027544   -0.0007897    0.0015117
 H   -1.6226946   20.5897735    1.9456975  0.00    0.0009884   -0.0010519   -0.0006145
 C   -3.8563450   17.2559064    6.6380038  0.00   -0.0001859   -0.0009321    0.0036711
 H   -2.9745540   16.6261952    6.5038623  0.00   -0.0024842   -0.0036239    0.0010181
 C   -5.0706237   16.3319156    6.7370846  0.00    0.0019686   -0.0010515    0.0015124
 H   -5.9915265   16.9102817    6.8486475  0.00    0.0010608   -0.0068499   -0.0006239
 H   -4.9803299   15.6779575    7.6076881  0.00   -0.0014856   -0.0019958   -0.0003481
 H   -5.1683389   15.7012835    5.8528512  0.00   -0.0023649   -0.0023875    0.0019054
 C   -3.6968602   18.0434429    7.9372887  0.00   -0.0023276    0.0023183    0.0017282
 H   -2.8822108   18.7707088    7.8875829  0.00    0.0028865   -0.0022712    0.0000745
 H   -3.4965036   17.3647134    8.7695119  0.00    0.0042250   -0.0010703   -0.0003424
 H   -4.6061388   18.5947132    8.1862791  0.00   -0.0020610    0.0013686    0.0007263
 C    2.7503611   18.1630389    4.2822140  0.00    0.0097304   -0.0025038   -0.0077270
 C    2.9090081   18.9873029    3.1408379  0.00   -0.0058566   -0.0110672    0.0016103
 C    3.7845765   20.0644719    3.2104926  0.00    0.0037982    0.0069306   -0.0040268
 H    3.9229557   20.6933955    2.3388188  0.00   -0.0023737    0.0020839    0.0011354
 C    4.4998904   20.3375380    4.3614978  0.00   -0.0125981   -0.0037335    0.0064587
 H    5.1831593   21.1782652    4.3911232  0.00   -0.0014862    0.0009275    0.0007858
 C    4.3490590   19.5258102    5.4695898  0.00    0.0018179    0.0051886   -0.0053069
 H    4.9290347   19.7331343    6.3610324  0.00   -0.0042866    0.0027771    0.0036687
 C    3.4901899   18.4311973    5.4582058  0.00   -0.0055367   -0.0088134   -0.0005218
 C    3.4474528   17.5327136    6.6734784  0.00    0.0015437    0.0012045    0.0029769
 H    2.6140474   16.8393261    6.5449204  0.00    0.0020392   -0.0040847    0.0005927
 C    4.7261683   16.6988206    6.7694011  0.00   -0.0025994   -0.0008837    0.0016182
 H    4.8650134   16.0739898    5.8863013  0.00    0.0016632   -0.0017590    0.0018438
 H    4.6872698   16.0428218    7.6423116  0.00    0.0016096   -0.0015241   -0.0005570
 H    5.6035613   17.3424822    6.8742555  0.00   -0.0015183   -0.0049528   -0.0009415
 C    3.2351057   18.3102899    7.9707298  0.00    0.0019395    0.0018799    0.0014379
 H    4.1060408   18.9195291    8.2218872  0.00    0.0011133    0.0022148   -0.0002185
 H    3.0775878   17.6207555    8.8033460  0.00   -0.0032413   -0.0000781   -0.0009948
 H    2.3744452   18.9824744    7.9183132  0.00   -0.0023855   -0.0033363    0.0012850
 C    2.2187947   18.7022406    1.8242549  0.00   -0.0014504    0.0025428   -0.0023348
 H    1.4871291   17.9033644    1.9868438  0.00   -0.0001129   -0.0010505   -0.0000283
 C    1.4808576   19.9240868    1.2859461  0.00   -0.0031326    0.0035858   -0.0010923
 H    0.7627576   20.3243064    2.0069246  0.00   -0.0009620   -0.0016878    0.0002011
 H    0.9385265   19.6696755    0.3733818  0.00   -0.0026694   -0.0023232    0.0005201
 H    2.1703703   20.7327387    1.0367004  0.00    0.0049654    0.0014848   -0.0022455
 C    3.2215194   18.1916506    0.7884199  0.00   -0.0039353   -0.0025876   -0.0002409
 H    3.9771217   18.9526105    0.5768155  0.00    0.0001910   -0.0060835   -0.0030815
 H    2.7136483   17.9534663   -0.1490162  0.00   -0.0009602    0.0012223   -0.0002154
 H    3.7316031   17.2922065    1.1354310  0.00   -0.0001628    0.0002068   -0.0015955
 C   -0.1860457   16.9635470    7.1266488  0.00   -0.0001965   -0.0039619    0.0027887
 H    0.6717701   17.4910675    7.5789840  0.00    0.0011838    0.0011563   -0.0073549
 H   -1.0845199   17.4248134    7.5718846  0.00   -0.0020577    0.0010777   -0.0082464
 C    1.4359921   14.3214664    7.2370830  0.00    0.0011930   -0.0009433    0.0010208
 H    1.5390331   14.2862842    6.1496431  0.00    0.0019130    0.0004177   -0.0020095
 H    1.4175277   13.2891589    7.5989418  0.00    0.0004151   -0.0017075    0.0004839
 H    2.3367831   14.7865889    7.6444620  0.00    0.0017493    0.0018012    0.0004009
 C   -0.1269956   15.2449966    9.6774382  0.00    0.0001361   -0.0012384    0.0045745
 H    0.7355890   15.7915517   10.0676127  0.00   -0.0000310    0.0039079    0.0008459
 H   -0.0893525   14.2323954   10.0888105  0.00    0.0000289   -0.0031881    0.0027735
 H   -1.0285825   15.7255141   10.0663441  0.00   -0.0003044    0.0039719   -0.0000074
 C   -1.6120709   14.2110990    7.2318995  0.00   -0.0006810   -0.0014249    0.0010263
 H   -2.5458308   14.6084866    7.6368071  0.00   -0.0007491    0.0023811    0.0005714
 H   -1.5185920   13.1828331    7.5936607  0.00   -0.0015717   -0.0025650   -0.0001014
 H   -1.7091295   14.1689284    6.1441423  0.00   -0.0016355    0.0005559   -0.0018296
129
 Energy =   -2867.2890831730
 O   -0.1331996   15.5657911    3.8398004  0.00   -0.0018482   -0.0010033   -0.0044827
Th   -0.2014328   17.7738048    4.8772693  0.00    0.0005209   -0.0048381    0.0015372
Si   -0.1230936   15.2030863    7.8027106  0.00    0.0004081   -0.0064605    0.0070256
 N   -2.1773069   16.9691460    4.2064020  0.00   -0.0033631    0.0010195    0.0033366
 N    1.8221871   17.0777550    4.2317773  0.00    0.0038401    0.0048323    0.0045165
 C   -2.5939377   13.1509296    2.6058620  0.00    0.0107206    0.0069952    0.0036149
 H   -2.6567573   12.1528032    2.1951760  0.00   -0.0023637    0.0059772    0.0016240
 C   -3.7601075   13.8797424    2.7992604  0.00    0.0037559   -0.0041835   -0.0000817
 C   -3.6659817   15.1716788    3.3313151  0.00   -0.0040129    0.0026170   -0.0008354
 H   -4.5561044   15.7711802    3.4788491  0.00    0.0031828    0.0039282   -0.0000537
 C   -2.4366243   15.7106817    3.6686169  0.00   -0.0007641    0.0012398    0.0000770
 C    2.1582181   15.8443857    3.6813338  0.00   -0.0011781   -0.0082628   -0.0035913
 C    3.4178352   15.3846574    3.3392345  0.00    0.0000272    0.0018270   -0.0002849
 H    4.2701245   16.0352403    3.4928240  0.00   -0.0019924    0.0052203    0.0012233
 C    3.5900383   14.1023659    2.8028847  0.00   -0.0030435   -0.0010245    0.0011615
 C    2.4702258   13.3048118    2.6069960  0.00   -0.0036083   -0.0019875   -0.0003019
 H    2.5943882   12.3131452    2.1938261  0.00    0.0002654    0.0100343    0.0032488
 C   -0.0508518   12.8500572    2.7087993  0.00    0.0028579   -0.0058923   -0.0015816
 C   -1.3263231   13.6567389    2.9242263  0.00    0.0014170    0.0018592   -0.0012305
 C   -1.3064862   14.9204640    3.4578997  0.00    0.0051155   -0.0060127   -0.0039002
 C    1.0770050   14.9899271    3.4623020  0.00    0.0023268    0.0046043   -0.0005288
 C    1.1739808   13.7317349    2.9251873  0.00   -0.0118502   -0.0024164   -0.0017134
 C   -0.0160328   11.6853451    3.7118212  0.00   -0.0006057    0.0026571    0.0058678
 H   -0.0278056   12.0486325    4.7407757  0.00    0.0000830    0.0012773    0.0066580
 H    0.8868945   11.0877389    3.5698570  0.00   -0.0002681    0.0025236    0.0024735
 H   -0.8809135   11.0340592    3.5686708  0.00    0.0008025    0.0026830    0.0029306
 C   -0.0335587   12.2800725    1.2840476  0.00   -0.0007548    0.0055461   -0.0014804
 H   -0.8913243   11.6273270    1.1171499  0.00    0.0018513    0.0057726    0.0010921
 H    0.8619181   11.6801863    1.1173681  0.00   -0.0012412    0.0053873    0.0009119
 H   -0.0576288   13.0761201    0.5382795  0.00    0.0000830    0.0053116   -0.0025870
 C   -5.1386811   13.3255881    2.4431525  0.00    0.0005282   -0.0007465   -0.0003789
 C   -6.0239183   13.3166529    3.6943816  0.00   -0.0013720    0.0010307    0.0016303
 H   -5.5847762   12.7031114    4.4845018  0.00    0.0001019   -0.0024623   -0.0009047
 H   -7.0075543   12.9073064    3.4523197  0.00   -0.0039050   -0.0015992    0.0032934
 H   -6.1760154   14.3221968    4.0915033  0.00   -0.0020225    0.0011823    0.0038249
 C   -5.7825298   14.2206592    1.3780454  0.00   -0.0013479    0.0020410   -0.0007856
 H   -5.9124068   15.2450533    1.7332520  0.00   -0.0017199    0.0037977   -0.0028281
 H   -6.7701105   13.8351958    1.1135997  0.00   -0.0029614    0.0017446   -0.0044099
 H   -5.1755817   14.2510089    0.4699708  0.00   -0.0002887   -0.0020740   -0.0018035
 C   -5.0771529   11.9024109    1.8953824  0.00    0.0037435   -0.0029065   -0.0005672
 H   -4.4948360   11.8409828    0.9729075  0.00    0.0059995    0.0044315   -0.0010141
 H   -6.0889204   11.5631116    1.6637703  0.00    0.0021299   -0.0022784   -0.0008676
 H   -4.6564927   11.2010225    2.6200046  0.00    0.0054784    0.0024261    0.0042729
 C    5.0011238   13.6312499    2.4547785  0.00   -0.0009405   -0.0021375   -0.0009318
 C    5.6110836   14.5796292    1.4165026  0.00    0.0010343    0.0025636   -0.0006887
 H    6.6193170   14.2491979    1.1557600  0.00    0.0029599    0.0017256   -0.0042231
 H    5.6875670   15.6010520    1.7950141  0.00    0.0017734    0.0038784   -0.0034097
 H    5.0131790   14.5998457    0.5021588  0.00    0.0008112   -0.0019827   -0.0019515
 C    5.8669479   13.6463560    3.7196806  0.00    0.0013020    0.0014454    0.0018389
 H    5.4522650   12.9913447    4.4894517  0.00    0.0003253   -0.0024076   -0.0010507
 H    5.9528330   14.6502676    4.1402768  0.00    0.0022792    0.0010162    0.0039514
 H    6.8764291   13.3001989    3.4854087  0.00    0.0042017   -0.0015652    0.0032542
 C    5.0251439   12.2177198    1.8796910  0.00   -0.0033275   -0.0025558   -0.0005366
 H    4.6396849   11.4794106    2.5869233  0.00   -0.0063187    0.0020947    0.0042960
 H    6.0565286   11.9409004    1.6513336  0.00   -0.0025234   -0.0021991   -0.0006476
 H    4.4545780   12.1414270    0.9509985  0.00   -0.0067173    0.0040226   -0.0009941
 C   -3.1802598   17.9827960    4.2657870  0.00   -0.0079881   -0.0016062   -0.0078540
 C   -3.9628243   18.1592766    5.4310464  0.00    0.0007736   -0.0050404    0.0025407
 C   -4.9191363   19.1699059    5.4468213  0.00   -0.0040538    0.0028369   -0.0058862
 H   -5.5337827   19.3016448    6.3298446  0.00    0.0070374    0.0036434   -0.0019490
 C   -5.1196250   19.9908455    4.3542106  0.00    0.0114222    0.0006914    0.0091855
 H   -5.8792538   20.7635353    4.3849296  0.00    0.0039217   -0.0015553    0.0000404
 C   -4.3492216   19.8198458    3.2190337  0.00   -0.0029850    0.0027643   -0.0063293
 H   -4.5202615   20.4618034    2.3631580  0.00    0.0041161   -0.0004071    0.0078630
 C   -3.3764215   18.8293087    3.1451408  0.00    0.0030835   -0.0048444   -0.0008788
 C   -2.6249195   18.6503703    1.8425111  0.00    0.0025407    0.0036240   -0.0011090
 H   -1.7336538   18.0421541    2.0424133  0.00    0.0037847   -0.0031620   -0.0002377
 C   -3.4750645   17.8802923    0.8297452  0.00    0.0043178    0.0009711    0.0005497
 H   -3.7593650   16.8971693    1.2055059  0.00   -0.0005528    0.0009652   -0.0034869
 H   -2.9246081   17.7434898   -0.1040080  0.00   -0.0000278   -0.0018965   -0.0007258
 H   -4.3877731   18.4382196    0.6035666  0.00    0.0017373   -0.0063396   -0.0023938
 C   -2.1724483   19.9757676    1.2367328  0.00   -0.0016312    0.0032645   -0.0031729
 H   -3.0202006   20.5659414    0.8845469  0.00   -0.0060661    0.0015752   -0.0014359
 H   -1.5328618   19.7951069    0.3713499  0.00    0.0033193   -0.0013476    0.0013495
 H   -1.6190646   20.5927450    1.9488486  0.00    0.0010719   -0.0011730    0.0003341
 C   -3.8529854   17.2566758    6.6388103  0.00    0.0029195    0.0002117    0.0016688
 H   -2.9714096   16.6270285    6.5043933  0.00   -0.0000393   -0.0059671    0.0015871
 C   -5.0667528   16.3323927    6.7385844  0.00    0.0029552   -0.0015927    0.0008043
 H   -5.9880510   16.9102189    6.8491498  0.00    0.0002895   -0.0063921   -0.0009348
 H   -4.9757781   15.6800764    7.6103264  0.00   -0.0029330   -0.0033483   -0.0009107
 H   -5.1633071   15.7004540    5.8550458  0.00   -0.0033351   -0.0020313    0.0035491
 C   -3.6925804   18.0446098    7.9376753  0.00   -0.0018737    0.0016595    0.0037383
 H   -2.8787576   18.7727778    7.8871509  0.00    0.0019351   -0.0021743   -0.0009490
 H   -3.4903239   17.3665038    8.7699593  0.00    0.0039834   -0.0021814   -0.0009611
 H   -4.6021464   18.5945868    8.1879743  0.00   -0.0033772    0.0029510    0.0009539
 C    2.7480672   18.1615245    4.2815425  0.00    0.0077331   -0.0035422   -0.0053239
 C    2.9036732   18.9882206    3.1417293  0.00    0.0017937    0.0028799   -0.0035963
 C    3.7758365   20.0688386    3.2124130  0.00   -0.0007184   -0.0046587   -0.0024336
 H    3.9115196   20.6994903    2.3413295  0.00   -0.0021184    0.0000435    0.0051943
 C    4.4908281   20.3417882    4.3636799  0.00   -0.0073445    0.0084167    0.0025124
 H    5.1717815   21.1849167    4.3943781  0.00   -0.0056364   -0.0048198    0.0006984
 C    4.3420429   19.5288570    5.4709140  0.00    0.0010650   -0.0047044    0.0011669
 H    4.9213111   19.7364871    6.3632732  0.00   -0.0084026    0.0028080   -0.0031139
 C    3.4862350   18.4314077    5.4582010  0.00    0.0018159   -0.0009203    0.0012850
 C    3.4440762   17.5338750    6.6739533  0.00   -0.0037862   -0.0009379    0.0019858
 H    2.6109925   16.8403355    6.5450116  0.00    0.0002211   -0.0058140    0.0015577
 C    4.7221126   16.6995104    6.7716610  0.00   -0.0024447   -0.0008259    0.0007730
 H    4.8602998   16.0724994    5.8898855  0.00    0.0022057   -0.0012448    0.0035008
 H    4.6819815   16.0459573    7.6463305  0.00    0.0030075   -0.0029438   -0.0013491
 H    5.6000046   17.3425868    6.8753939  0.00   -0.0007280   -0.0043487   -0.0013360
 C    3.2301639   18.3121058    7.9705549  0.00    0.0021078    0.0018411    0.0028881
 H    4.1021672   18.9187035    8.2240981  0.00    0.0015934    0.0038413   -0.0000283
 H    3.0685317   17.6232940    8.8029769  0.00   -0.0025001   -0.0013395   -0.0014484
 H    2.3713453   18.9865383    7.9162605  0.00   -0.0012991   -0.0032260    0.0000964
 C    2.2134079   18.7043142    1.8251143  0.00   -0.0042356    0.0021192   -0.0011463
 H    1.4807840   17.9064547    1.9879246  0.00   -0.0020836   -0.0029339   -0.0004920
 C    1.4767916   19.9270479    1.2869784  0.00    0.0000801    0.0043875   -0.0024202
 H    0.7598542   20.3289228    2.0080340  0.00   -0.0013479   -0.0023180    0.0012434
 H    0.9337552   19.6732974    0.3747506  0.00   -0.0032836   -0.0032029    0.0000441
 H    2.1672920   20.7345603    1.0368005  0.00    0.0051381    0.0013721   -0.0024796
 C    3.2147696   18.1918828    0.7889897  0.00   -0.0041179   -0.0004177    0.0004326
 H    3.9719988   18.9513609    0.5771970  0.00   -0.0009702   -0.0079354   -0.0022491
 H    2.7053068   17.9554281   -0.1479396  0.00    0.0003793    0.0001672   -0.0019878
 H    3.7224652   17.2910158    1.1357518  0.00    0.0009772    0.0003182   -0.0024648
 C   -0.1860128   16.9669689    7.1272570  0.00   -0.0002920   -0.0052707    0.0007719
 H    0.6717310   17.4943536    7.5791917  0.00    0.0038968    0.0021115   -0.0066289
 H   -1.0839828   17.4288102    7.5722233  0.00   -0.0049335    0.0016088   -0.0074712
 C    1.4356762   14.3243115    7.2376606  0.00    0.0007715   -0.0000565    0.0002297
 H    1.5388849   14.2892567    6.1501077  0.00    0.0019568    0.0000582   -0.0003684
 H    1.4163842   13.2917826    7.5993460  0.00    0.0004811    0.0013314   -0.0001563
 H    2.3367761   14.7890182    7.6451351  0.00    0.0001756    0.0003925    0.0000462
 C   -0.1274330   15.2486988    9.6779622  0.00    0.0000778    0.0004433    0.0052546
 H    0.7348506   15.7962578   10.0675231  0.00    0.0001895    0.0032352    0.0010837
 H   -0.0899201   14.2368624   10.0916735  0.00   -0.0000382   -0.0007028   -0.0010378
 H   -1.0289346   15.7302473   10.0659264  0.00   -0.0004535    0.0032976    0.0003022
 C   -1.6122025   14.2138870    7.2324797  0.00   -0.0003946   -0.0002396    0.0001451
 H   -2.5461319   14.6111573    7.6374016  0.00    0.0006762    0.0010689    0.0001256
 H   -1.5183627   13.1854120    7.5940845  0.00   -0.0013179    0.0008543   -0.0006079
 H   -1.7093560   14.1718317    6.1446139  0.00   -0.0017971    0.0002012   -0.0003969
129
 Energy =   -2867.2890983720
 O   -0.1332040   15.5649357    3.8391170  0.00    0.0022774   -0.0012051   -0.0041707
Th   -0.2013373   17.7725716    4.8768954  0.00    0.0004072   -0.0037265   -0.0012874
Si   -0.1231732   15.2044052    7.8030801  0.00    0.0005216   -0.0104207    0.0083333
 N   -2.1772913   16.9676701    4.2058108  0.00   -0.0013835    0.0058087    0.0046495
 N    1.8223219   17.0764488    4.2311105  0.00    0.0027588    0.0013960    0.0035996
 C   -2.5936077   13.1506102    2.6054943  0.00   -0.0001646   -0.0103078   -0.0046536
 H   -2.6563100   12.1522309    2.1944944  0.00   -0.0019914    0.0105189    0.0038356
 C   -3.7602258   13.8784996    2.7985275  0.00    0.0000706    0.0058782    0.0031844
 C   -3.6662446   15.1707589    3.3306146  0.00    0.0017462   -0.0022100   -0.0023135
 H   -4.5560118   15.7703499    3.4783748  0.00   -0.0002908    0.0053212    0.0000963
 C   -2.4367466   15.7097906    3.6677638  0.00    0.0029693   -0.0087103   -0.0022621
 C    2.1584603   15.8431027    3.6803072  0.00   -0.0016965   -0.0003668    0.0009961
 C    3.4180650   15.3834867    3.3385448  0.00    0.0047271    0.0041229   -0.0002988
 H    4.2703883   16.0342664    3.4923757  0.00   -0.0042835    0.0034405    0.0007744
 C    3.5903545   14.1012977    2.8022387  0.00   -0.0011364   -0.0046760   -0.0008085
 C    2.4703265   13.3039154    2.6063910  0.00   -0.0102133    0.0057102    0.0030515
 H    2.5939056   12.3127182    2.1931411  0.00    0.0024795    0.0024230    0.0003245
 C   -0.0506531   12.8488646    2.7083518  0.00   -0.0045027   -0.0067949   -0.0019545
 C   -1.3263373   13.6559144    2.9236243  0.00    0.0134736   -0.0009178   -0.0004953
 C   -1.3061983   14.9193677    3.4570928  0.00   -0.0038315    0.0044626   -0.0005380
 C    1.0771897   14.9891282    3.4616252  0.00   -0.0054182   -0.0027280   -0.0029981
 C    1.1736296   13.7307874    2.9246195  0.00    0.0019231   -0.0024533   -0.0024807
 C   -0.0160002   11.6838156    3.7113206  0.00    0.0009354    0.0016289    0.0030816
 H   -0.0276867   12.0464710    4.7404327  0.00    0.0000138    0.0024403    0.0072708
 H    0.8870816   11.0861847    3.5690090  0.00   -0.0028087    0.0039843    0.0029301
 H   -0.8809441   11.0324744    3.5678952  0.00    0.0023658    0.0041061    0.0029193
 C   -0.0335443   12.2784884    1.2836191  0.00    0.0013049    0.0040795   -0.0010451
 H   -0.8912085   11.6255234    1.1168844  0.00    0.0018156    0.0064423    0.0017164
 H    0.8619427   11.6783549    1.1171020  0.00   -0.0024754    0.0066060    0.0012743
 H   -0.0575654   13.0740865    0.5373988  0.00    0.0000412    0.0059674   -0.0022541
 C   -5.1392216   13.3245137    2.4425410  0.00    0.0016277   -0.0020182   -0.0005735
 C   -6.0243505   13.3156798    3.6941555  0.00   -0.0005981   -0.0004668   -0.0002995
 H   -5.5847039   12.7020681    4.4840174  0.00   -0.0011220   -0.0030791   -0.0017239
 H   -7.0083585   12.9063978    3.4522284  0.00    0.0003140    0.0006761    0.0048297
 H   -6.1755558   14.3211643    4.0919013  0.00   -0.0032141    0.0006572    0.0022717
 C   -5.7830507   14.2198507    1.3772898  0.00    0.0001128   -0.0001617   -0.0006882
 H   -5.9119126   15.2445027    1.7322357  0.00   -0.0032350    0.0026718   -0.0023715
 H   -6.7709416   13.8346214    1.1125720  0.00    0.0011562    0.0037563   -0.0029925
 H   -5.1755581   14.2499743    0.4694752  0.00   -0.0019039   -0.0027970   -0.0015968
 C   -5.0777737   11.9010601    1.8946773  0.00    0.0028021    0.0002878   -0.0000608
 H   -4.4950746   11.8398637    0.9723176  0.00    0.0041398    0.0043072   -0.0003084
 H   -6.0898380   11.5618813    1.6630681  0.00    0.0064043   -0.0018894   -0.0001915
 H   -4.6566613   11.1999010    2.6193462  0.00    0.0039095    0.0026219    0.0037520
 C    5.0018120   13.6300261    2.4540748  0.00   -0.0010070    0.0008045    0.0004616
 C    5.6117584   14.5787462    1.4156494  0.00    0.0002256   -0.0010305   -0.0007415
 H    6.6203146   14.2485220    1.1546647  0.00   -0.0016456    0.0036669   -0.0027600
 H    5.6872747   15.6003867    1.7937825  0.00    0.0031900    0.0031877   -0.0025661
 H    5.0133650   14.5986394    0.5015332  0.00    0.0023167   -0.0025946   -0.0018768
 C    5.8675565   13.6453060    3.7194004  0.00    0.0009579   -0.0009845   -0.0009768
 H    5.4523487   12.9901886    4.4888726  0.00    0.0016425   -0.0029385   -0.0017109
 H    5.9526023   14.6490575    4.1406100  0.00    0.0034277    0.0009828    0.0024249
 H    6.8774102   13.2991752    3.4852536  0.00   -0.0005327    0.0005754    0.0049360
 C    5.0259509   12.2163132    1.8789522  0.00   -0.0041941   -0.0003964   -0.0001908
 H    4.6399632   11.4782173    2.5862563  0.00   -0.0045448    0.0026362    0.0034882
 H    6.0575724   11.9395591    1.6506091  0.00   -0.0063180   -0.0020045   -0.0000297
 H    4.4549631   12.1401865    0.9503595  0.00   -0.0045982    0.0040232    0.0000772
 C   -3.1794905   17.9818175    4.2653608  0.00   -0.0090374    0.0012679    0.0001110
 C   -3.9611960   18.1591450    5.4313917  0.00   -0.0005459   -0.0010757   -0.0039604
 C   -4.9163094   19.1711417    5.4476276  0.00   -0.0007772   -0.0034998    0.0003803
 H   -5.5301921   19.3032157    6.3312287  0.00    0.0070780    0.0041802   -0.0037020
 C   -5.1159343   19.9926667    4.3556900  0.00    0.0102499    0.0051380   -0.0021151
 H   -5.8750364   20.7659585    4.3866270  0.00    0.0050721   -0.0017148    0.0007766
 C   -4.3459698   19.8216137    3.2198596  0.00   -0.0019566   -0.0043202    0.0046913
 H   -4.5160210   20.4643006    2.3646026  0.00    0.0031811    0.0014583    0.0057876
 C   -3.3744276   18.8295552    3.1455321  0.00   -0.0020129    0.0010909   -0.0032277
 C   -2.6229835   18.6513138    1.8429517  0.00    0.0060573    0.0001869   -0.0011231
 H   -1.7316553   18.0429099    2.0427522  0.00    0.0034572   -0.0016066   -0.0003981
 C   -3.4723001   17.8809453    0.8298196  0.00    0.0038328   -0.0000385    0.0005098
 H   -3.7558994   16.8974182    1.2052176  0.00   -0.0000654    0.0016183   -0.0039627
 H   -2.9213024   17.7451144   -0.1037104  0.00   -0.0000906   -0.0027303   -0.0014187
 H   -4.3854199   18.4379628    0.6033719  0.00    0.0009334   -0.0052497   -0.0021792
 C   -2.1705807   19.9769085    1.2375774  0.00   -0.0017565    0.0036984   -0.0022796
 H   -3.0184125   20.5667966    0.8849929  0.00   -0.0052283    0.0014480   -0.0014147
 H   -1.5303958   19.7965348    0.3726067  0.00    0.0029437   -0.0014176    0.0009807
 H   -1.6176396   20.5939553    1.9500913  0.00   -0.0001055   -0.0016924   -0.0004376
 C   -3.8516582   17.2568816    6.6391878  0.00    0.0017132   -0.0005019    0.0032567
 H   -2.9704648   16.6269449    6.5047930  0.00    0.0025371   -0.0067185    0.0016785
 C   -5.0652437   16.3323614    6.7392236  0.00    0.0025288   -0.0003929    0.0014574
 H   -5.9868973   16.9096671    6.8493773  0.00    0.0003698   -0.0054714   -0.0009862
 H   -4.9740563   15.6806956    7.6113800  0.00   -0.0030367   -0.0041741   -0.0006753
 H   -5.1614047   15.6999574    5.8560459  0.00   -0.0032563   -0.0027845    0.0028622
 C   -3.6909464   18.0450820    7.9379944  0.00   -0.0015347    0.0013038    0.0020393
 H   -2.8772913   18.7734345    7.8869218  0.00    0.0009525   -0.0017426   -0.0011082
 H   -3.4876830   17.3672498    8.7701812  0.00    0.0034049   -0.0031161   -0.0003618
 H   -4.6006733   18.5946243    8.1887615  0.00   -0.0026456    0.0028754    0.0009778
 C    2.7473677   18.1604926    4.2810137  0.00    0.0096436    0.0041148   -0.0019625
 C    2.9016092   18.9886454    3.1418412  0.00   -0.0001331   -0.0019437   -0.0013756
 C    3.7721192   20.0702934    3.2130601  0.00    0.0048727    0.0009494    0.0013470
 H    3.9067113   20.7018757    2.3423468  0.00   -0.0021160   -0.0012241    0.0068292
 C    4.4868606   20.3437457    4.3646106  0.00   -0.0115212   -0.0009318    0.0030138
 H    5.1669646   21.1872109    4.3957515  0.00   -0.0036773   -0.0009623    0.0007217
 C    4.3389911   19.5298024    5.4715558  0.00    0.0028888    0.0009900   -0.0033197
 H    4.9176029   19.7378338    6.3642522  0.00   -0.0081398    0.0031747   -0.0034937
 C    3.4846965   18.4313634    5.4582762  0.00   -0.0002178   -0.0030448   -0.0028149
 C    3.4426791   17.5342038    6.6741999  0.00   -0.0018233   -0.0005315    0.0030726
 H    2.6101083   16.8403401    6.5452242  0.00   -0.0028841   -0.0068772    0.0016034
 C    4.7205373   16.6996350    6.7725748  0.00   -0.0025725    0.0000439    0.0014194
 H    4.8584818   16.0718069    5.8914038  0.00    0.0021996   -0.0019198    0.0028596
 H    4.6799761   16.0470328    7.6478986  0.00    0.0033208   -0.0037401   -0.0012781
 H    5.5987726   17.3422393    6.8758223  0.00   -0.0004359   -0.0032465   -0.0013671
 C    3.2282774   18.3128654    7.9706078  0.00    0.0015419    0.0007909    0.0012735
 H    4.1006659   18.9185477    8.2249826  0.00    0.0012763    0.0040314    0.0000374
 H    3.0648647   17.6243853    8.8028650  0.00   -0.0016725   -0.0024504   -0.0005788
 H    2.3700121   18.9879167    7.9154931  0.00   -0.0008127   -0.0023619   -0.0003970
 C    2.2111892   18.7051809    1.8253656  0.00   -0.0044901    0.0011983   -0.0018277
 H    1.4782904   17.9075065    1.9881407  0.00   -0.0025798   -0.0023057   -0.0003600
 C    1.4752112   19.9283354    1.2872835  0.00   -0.0002614    0.0032142   -0.0027689
 H    0.7586936   20.3307195    2.0084995  0.00   -0.0006182   -0.0022284    0.0008787
 H    0.9316946   19.6746231    0.3752967  0.00   -0.0027687   -0.0027359    0.0003897
 H    2.1662489   20.7352582    1.0366678  0.00    0.0045232    0.0013384   -0.0025842
 C    3.2120051   18.1919583    0.7891427  0.00   -0.0047026   -0.0028045    0.0005618
 H    3.9700314   18.9504118    0.5770549  0.00   -0.0002136   -0.0062222   -0.0018677
 H    2.7018725   17.9561935   -0.1475720  0.00    0.0008919   -0.0004790   -0.0026265
 H    3.7187859   17.2904397    1.1358085  0.00    0.0003300    0.0012488   -0.0031111
 C   -0.1860300   16.9680361    7.1275215  0.00   -0.0001528   -0.0052149   -0.0003911
 H    0.6718144   17.4959060    7.5785753  0.00    0.0039925    0.0017683   -0.0059050
 H   -1.0839791   17.4306738    7.5715514  0.00   -0.0051727    0.0011497   -0.0065689
 C    1.4356459   14.3254065    7.2379234  0.00    0.0007858    0.0011609   -0.0006216
 H    1.5389955   14.2904307    6.1502798  0.00    0.0014985   -0.0000328    0.0010737
 H    1.4159934   13.2928271    7.5995098  0.00    0.0008458    0.0018011   -0.0002046
 H    2.3368912   14.7900099    7.6453899  0.00   -0.0008677   -0.0005157    0.0000178
 C   -0.1275844   15.2499496    9.6784782  0.00   -0.0000011    0.0030704    0.0047457
 H    0.7345185   15.7982341   10.0675745  0.00    0.0000480    0.0021818    0.0011668
 H   -0.0901503   14.2385496   10.0933158  0.00   -0.0000571   -0.0000581   -0.0021306
 H   -1.0290427   15.7322436   10.0657681  0.00   -0.0002607    0.0022702    0.0005015
 C   -1.6122936   14.2148889    7.2327590  0.00   -0.0004234    0.0010844   -0.0007381
 H   -2.5462425   14.6123094    7.6376576  0.00    0.0014590    0.0002132    0.0000467
 H   -1.5185019   13.1863101    7.5941855  0.00   -0.0012671    0.0017300   -0.0005384
 H   -1.7095628   14.1729959    6.1448046  0.00   -0.0014759    0.0001806    0.0008637
129
 Energy =   -2867.2891243370
 O   -0.1330412   15.5646004    3.8378977  0.00   -0.0039017    0.0024531   -0.0009876
Th   -0.2012591   17.7709989    4.8764354  0.00    0.0012783   -0.0010932   -0.0015684
Si   -0.1231659   15.2048442    7.8042488  0.00    0.0005035   -0.0073689    0.0049982
 N   -2.1776140   16.9664338    4.2053488  0.00    0.0002257    0.0022284    0.0006886
 N    1.8228078   17.0751912    4.2304164  0.00   -0.0004158    0.0027724    0.0022153
 C   -2.5934250   13.1505808    2.6050867  0.00    0.0065128    0.0001922    0.0001462
 H   -2.6552786   12.1529946    2.1942232  0.00   -0.0048114   -0.0033755   -0.0014481
 C   -3.7605461   13.8779912    2.7979503  0.00   -0.0045119   -0.0029569   -0.0024117
 C   -3.6665380   15.1700366    3.3295535  0.00   -0.0085419    0.0075132    0.0018584
 H   -4.5562275   15.7706116    3.4780068  0.00    0.0067891   -0.0014559   -0.0020412
 C   -2.4370549   15.7087458    3.6664508  0.00    0.0066282    0.0013240    0.0040540
 C    2.1589375   15.8422939    3.6790999  0.00   -0.0065422   -0.0046684    0.0024075
 C    3.4188153   15.3828909    3.3377475  0.00   -0.0011424   -0.0006465   -0.0016941
 H    4.2706366   16.0341000    3.4921421  0.00   -0.0030301    0.0022715   -0.0000337
 C    3.5907562   14.1002942    2.8015744  0.00    0.0066079    0.0076251    0.0021711
 C    2.4698650   13.3041874    2.6062493  0.00   -0.0007948   -0.0083482   -0.0043591
 H    2.5927518   12.3131425    2.1926156  0.00    0.0041336   -0.0004495   -0.0001641
 C   -0.0507354   12.8476235    2.7081020  0.00    0.0020134   -0.0011706   -0.0003844
 C   -1.3254068   13.6555526    2.9231113  0.00   -0.0113295   -0.0061901   -0.0032522
 C   -1.3062337   14.9190418    3.4560702  0.00    0.0064910   -0.0002694   -0.0011800
 C    1.0769122   14.9885828    3.4606576  0.00    0.0049852    0.0000673   -0.0030955
 C    1.1732121   13.7301869    2.9240824  0.00    0.0008721    0.0003982    0.0005557
 C   -0.0158991   11.6825704    3.7114384  0.00   -0.0010389    0.0037496    0.0031872
 H   -0.0275291   12.0445113    4.7410628  0.00    0.0000327    0.0034226    0.0025951
 H    0.8871332   11.0850630    3.5688122  0.00   -0.0018496    0.0032222    0.0026854
 H   -0.8808502   11.0312472    3.5678475  0.00    0.0025943    0.0039372    0.0029336
 C   -0.0334317   12.2776267    1.2833015  0.00   -0.0014732    0.0044806   -0.0027140
 H   -0.8909376   11.6245889    1.1165037  0.00    0.0004033    0.0057140    0.0013805
 H    0.8617840   11.6774321    1.1167502  0.00    0.0006236    0.0051607    0.0010640
 H   -0.0575037   13.0731325    0.5367241  0.00    0.0001864    0.0048115    0.0008078
 C   -5.1401767   13.3233670    2.4418423  0.00    0.0019669    0.0039268    0.0014749
 C   -6.0252368   13.3145450    3.6941825  0.00    0.0020965   -0.0005639   -0.0031828
 H   -5.5846533   12.7007153    4.4834111  0.00   -0.0025179   -0.0039962   -0.0021696
 H   -7.0098120   12.9053017    3.4530456  0.00    0.0056156    0.0032612    0.0052435
 H   -6.1753777   14.3198800    4.0933209  0.00   -0.0038472   -0.0020741   -0.0017123
 C   -5.7839811   14.2191119    1.3761013  0.00    0.0023023   -0.0018023    0.0021863
 H   -5.9114953   15.2444469    1.7302703  0.00   -0.0044745   -0.0019004   -0.0018428
 H   -6.7723192   13.8346812    1.1104654  0.00    0.0067595    0.0050614    0.0000604
 H   -5.1755580   14.2485894    0.4688720  0.00   -0.0031475   -0.0033230   -0.0026214
 C   -5.0779362   11.8996785    1.8939397  0.00    0.0057280    0.0036954    0.0022617
 H   -4.4941069   11.8394846    0.9720142  0.00    0.0007466    0.0032886    0.0012938
 H   -6.0897974   11.5594930    1.6619502  0.00    0.0103289   -0.0008104    0.0007120
 H   -4.6556137   11.1994032    2.6190995  0.00    0.0005819    0.0036360    0.0008640
 C    5.0029821   13.6289654    2.4533590  0.00   -0.0028422    0.0011107    0.0006351
 C    5.6129101   14.5778923    1.4143350  0.00   -0.0027406   -0.0006558    0.0021514
 H    6.6218451   14.2485026    1.1525156  0.00   -0.0066718    0.0041333    0.0001772
 H    5.6871420   15.6003028    1.7914768  0.00    0.0044211   -0.0022986   -0.0021863
 H    5.0136846   14.5970666    0.5007137  0.00    0.0035444   -0.0032563   -0.0025867
 C    5.8686950   13.6440680    3.7193137  0.00   -0.0022874    0.0003012   -0.0023324
 H    5.4525087   12.9887126    4.4881361  0.00    0.0032373   -0.0036589   -0.0023670
 H    5.9527564   14.6475870    4.1420054  0.00    0.0041862   -0.0025081   -0.0020275
 H    6.8790625   13.2979606    3.4860094  0.00   -0.0056059    0.0026038    0.0049405
 C    5.0261762   12.2148230    1.8781832  0.00   -0.0047202    0.0042474    0.0024181
 H    4.6388860   11.4776569    2.5860134  0.00   -0.0016441    0.0032996    0.0012274
 H    6.0576835   11.9369463    1.6494617  0.00   -0.0110065   -0.0010802    0.0009592
 H    4.4540620   12.1396394    0.9500477  0.00   -0.0017263    0.0032082    0.0010562
 C   -3.1794426   17.9806803    4.2647001  0.00    0.0005119    0.0023129    0.0064746
 C   -3.9596118   18.1586934    5.4315557  0.00   -0.0062801    0.0023810   -0.0047946
 C   -4.9130860   19.1722975    5.4484770  0.00    0.0053919   -0.0038333    0.0019107
 H   -5.5251233   19.3053339    6.3329378  0.00    0.0028028    0.0049296   -0.0023356
 C   -5.1110402   19.9952228    4.3574470  0.00    0.0041727   -0.0009364   -0.0064561
 H   -5.8697743   20.7685916    4.3887081  0.00    0.0045677    0.0024815    0.0013183
 C   -4.3422657   19.8232172    3.2209054  0.00   -0.0029684    0.0006981    0.0074633
 H   -4.5105859   20.4673114    2.3664487  0.00    0.0011880    0.0016115    0.0052204
 C   -3.3725749   18.8298105    3.1456745  0.00   -0.0012526   -0.0016789   -0.0048804
 C   -2.6208227   18.6522212    1.8430715  0.00    0.0017144   -0.0027755    0.0001090
 H   -1.7298243   18.0431245    2.0425746  0.00    0.0050450    0.0012703    0.0004721
 C   -3.4691665   17.8813560    0.8295568  0.00    0.0051241   -0.0016379   -0.0023612
 H   -3.7518583   16.8973839    1.2042751  0.00    0.0004703    0.0003608   -0.0028316
 H   -2.9171483   17.7465371   -0.1035092  0.00   -0.0004392   -0.0037506   -0.0021392
 H   -4.3829704   18.4364352    0.6019203  0.00   -0.0004154   -0.0012671   -0.0008411
 C   -2.1689897   19.9782336    1.2381836  0.00    0.0025684    0.0010810   -0.0020039
 H   -3.0169973   20.5677262    0.8851290  0.00   -0.0032954    0.0007280   -0.0011725
 H   -1.5276655   19.7979057    0.3738692  0.00    0.0002028    0.0000309    0.0017682
 H   -1.6163879   20.5949850    1.9513753  0.00   -0.0019425   -0.0012638   -0.0019004
 C   -3.8506270   17.2568075    6.6397829  0.00    0.0016907   -0.0041608    0.0009637
 H   -2.9701914   16.6257354    6.5052981  0.00    0.0040937   -0.0036601    0.0025207
 C   -5.0638323   16.3317679    6.7401155  0.00   -0.0000858    0.0002637    0.0025319
 H   -5.9865257   16.9074219    6.8498410  0.00    0.0012437   -0.0022784   -0.0007749
 H   -4.9722111   15.6807320    7.6126133  0.00   -0.0026052   -0.0051223    0.0002621
 H   -5.1596055   15.6986150    5.8575592  0.00   -0.0021501   -0.0035543    0.0009501
 C   -3.6893453   18.0454007    7.9384739  0.00   -0.0035025    0.0008838   -0.0003791
 H   -2.8755997   18.7735458    7.8862745  0.00   -0.0000336   -0.0001676   -0.0005514
 H   -3.4846450   17.3678030    8.7704869  0.00    0.0017080   -0.0032865   -0.0000521
 H   -4.5992804   18.5948846    8.1898777  0.00    0.0020020    0.0003376    0.0002259
 C    2.7473532   18.1594597    4.2801301  0.00    0.0008834    0.0065557    0.0048703
 C    2.8996090   18.9889685    3.1417260  0.00   -0.0004235   -0.0062841   -0.0024827
 C    3.7682418   20.0717663    3.2135989  0.00    0.0045756    0.0030710    0.0093709
 H    3.9009673   20.7042835    2.3436350  0.00    0.0005278    0.0017603    0.0034639
 C    4.4815828   20.3460439    4.3659641  0.00   -0.0052062   -0.0064710   -0.0026039
 H    5.1611420   21.1896775    4.3975166  0.00   -0.0031415    0.0032479    0.0011075
 C    4.3355593   19.5307919    5.4720689  0.00   -0.0030542    0.0016735   -0.0035648
 H    4.9122425   19.7394961    6.3654748  0.00   -0.0032384    0.0050516   -0.0007834
 C    3.4831086   18.4310155    5.4581662  0.00    0.0026422   -0.0030162   -0.0038680
 C    3.4414574   17.5343129    6.6746242  0.00   -0.0006297   -0.0029923   -0.0002685
 H    2.6098806   16.8392886    6.5455162  0.00   -0.0051872   -0.0041186    0.0025373
 C    4.7190365   16.6993913    6.7737092  0.00   -0.0004725    0.0001501    0.0019266
 H    4.8567207   16.0704297    5.8934254  0.00    0.0013799   -0.0024882    0.0012002
 H    4.6778336   16.0477339    7.6496175  0.00    0.0033471   -0.0047659   -0.0003572
 H    5.5983009   17.3405848    6.8763925  0.00   -0.0012710   -0.0003288   -0.0010957
 C    3.2264298   18.3134631    7.9707630  0.00    0.0026480    0.0003107   -0.0001501
 H    4.0990683   18.9188103    8.2260051  0.00   -0.0020014    0.0018175   -0.0007599
 H    3.0611804   17.6252972    8.8028421  0.00    0.0002070   -0.0033129    0.0002799
 H    2.3683724   18.9885697    7.9146754  0.00   -0.0008661   -0.0002363   -0.0006964
 C    2.2088053   18.7060371    1.8252861  0.00    0.0007915   -0.0012648   -0.0007352
 H    1.4761316   17.9081171    1.9879123  0.00   -0.0050558   -0.0005130    0.0003195
 C    1.4737192   19.9297521    1.2873209  0.00   -0.0025605   -0.0003289   -0.0019144
 H    0.7576908   20.3322989    2.0091142  0.00    0.0011901   -0.0013211   -0.0011178
 H    0.9293209   19.6755791    0.3758819  0.00   -0.0014038   -0.0006095    0.0009022
 H    2.1655326   20.7359299    1.0360986  0.00    0.0021767    0.0005984   -0.0025205
 C    3.2088848   18.1915965    0.7889608  0.00   -0.0050421   -0.0031462   -0.0021203
 H    3.9683145   18.9481789    0.5757579  0.00   -0.0003796   -0.0025938   -0.0000937
 H    2.6977037   17.9568207   -0.1473981  0.00    0.0013388   -0.0019595   -0.0035276
 H    3.7145721   17.2893898    1.1351964  0.00   -0.0001862   -0.0001223   -0.0023593
 C   -0.1861210   16.9685191    7.1278512  0.00    0.0001176   -0.0052776   -0.0033621
 H    0.6719927   17.4979950    7.5767123  0.00    0.0021754   -0.0003938   -0.0044509
 H   -1.0844149   17.4331222    7.5693367  0.00   -0.0033465   -0.0012881   -0.0046552
 C    1.4359156   14.3265349    7.2381928  0.00   -0.0000190    0.0004707    0.0009361
 H    1.5395638   14.2916051    6.1505488  0.00    0.0002162    0.0002267    0.0014826
 H    1.4159332   13.2938918    7.5996903  0.00    0.0019632    0.0020038   -0.0005058
 H    2.3372405   14.7909998    7.6456995  0.00   -0.0016085   -0.0010535    0.0005069
 C   -0.1276915   15.2509139    9.6797608  0.00   -0.0001568    0.0040899    0.0028140
 H    0.7341217   15.8004292   10.0677494  0.00    0.0005686    0.0010412    0.0020542
 H   -0.0904197   14.2402428   10.0966667  0.00   -0.0001095    0.0020509   -0.0040084
 H   -1.0291301   15.7344804   10.0655008  0.00   -0.0006888    0.0010823    0.0017458
 C   -1.6125208   14.2157623    7.2330894  0.00    0.0002011    0.0008427    0.0008186
 H   -2.5462375   14.6136850    7.6380655  0.00    0.0014703   -0.0004370    0.0003810
 H   -1.5194021   13.1869223    7.5941279  0.00   -0.0012538    0.0027645   -0.0005351
 H   -1.7100840   14.1742422    6.1451265  0.00   -0.0004737    0.0005119    0.0009010
129
 Energy =   -2867.2891393770
 O   -0.1333612   15.5674517    3.8381672  0.00    0.0021235    0.0011070   -0.0012522
Th   -0.2013726   17.7719193    4.8777833  0.00    0.0002593    0.0014577    0.0003192
Si   -0.1228914   15.2017499    7.8048638  0.00    0.0000735    0.0010854    0.0001966
 N   -2.1783372   16.9684858    4.2061881  0.00    0.0024682    0.0019294    0.0008638
 N    1.8232024   17.0773988    4.2313228  0.00   -0.0017274    0.0000268    0.0011427
 C   -2.5930248   13.1532170    2.6064201  0.00   -0.0113573   -0.0023059   -0.0021388
 H   -2.6550015   12.1557267    2.1957371  0.00   -0.0044028   -0.0060676   -0.0023090
 C   -3.7609019   13.8802278    2.7989390  0.00    0.0016948    0.0034110    0.0003449
 C   -3.6671752   15.1725730    3.3303359  0.00    0.0076993   -0.0011945    0.0005709
 H   -4.5561076   15.7734656    3.4787830  0.00   -0.0000762    0.0015323   -0.0012158
 C   -2.4370965   15.7108728    3.6672931  0.00    0.0006533   -0.0029147    0.0003766
 C    2.1585377   15.8442592    3.6800187  0.00    0.0050752    0.0025533    0.0015033
 C    3.4188819   15.3853164    3.3385993  0.00   -0.0071254    0.0018178    0.0020319
 H    4.2701692   16.0371808    3.4932157  0.00   -0.0019025    0.0015306   -0.0003092
 C    3.5908410   14.1029248    2.8028541  0.00   -0.0009404   -0.0016696   -0.0020173
 C    2.4694234   13.3066357    2.6075708  0.00    0.0023747    0.0043926    0.0011318
 H    2.5921085   12.3160069    2.1942122  0.00    0.0054018   -0.0078095   -0.0030583
 C   -0.0507902   12.8499058    2.7093380  0.00   -0.0029912    0.0041912    0.0015298
 C   -1.3255909   13.6578167    2.9240870  0.00    0.0027143    0.0001086    0.0010022
 C   -1.3060760   14.9214647    3.4566904  0.00   -0.0048697    0.0011043   -0.0006130
 C    1.0768038   14.9911379    3.4613351  0.00   -0.0042473   -0.0029803   -0.0017375
 C    1.1726809   13.7326294    2.9252664  0.00    0.0098177   -0.0010149   -0.0013119
 C   -0.0160275   11.6855744    3.7135292  0.00    0.0004716    0.0053930    0.0021518
 H   -0.0276284   12.0480529    4.7431681  0.00   -0.0000028    0.0033214   -0.0012530
 H    0.8869440   11.0881317    3.5712753  0.00   -0.0001672    0.0016711    0.0025953
 H   -0.8807918   11.0342553    3.5703852  0.00   -0.0001076    0.0017622    0.0024332
 C   -0.0335503   12.2815624    1.2840167  0.00    0.0008831    0.0032253   -0.0002088
 H   -0.8909517   11.6289049    1.1166994  0.00   -0.0022364    0.0031294   -0.0000043
 H    0.8617121   11.6817845    1.1170067  0.00    0.0017323    0.0035786   -0.0002577
 H   -0.0575863   13.0780549    0.5384155  0.00    0.0000888    0.0038960    0.0019523
 C   -5.1402005   13.3252386    2.4427254  0.00   -0.0006530    0.0016469   -0.0000149
 C   -6.0255114   13.3157744    3.6949444  0.00    0.0050041    0.0018026    0.0003725
 H   -5.5846786   12.7018531    4.4840121  0.00   -0.0018526   -0.0033733   -0.0022324
 H   -7.0098693   12.9062022    3.4545749  0.00    0.0025991    0.0015457    0.0019518
 H   -6.1763726   14.3209194    4.0946518  0.00   -0.0022778   -0.0033831   -0.0029900
 C   -5.7840979   14.2205104    1.3765448  0.00    0.0042482    0.0013886    0.0016132
 H   -5.9121720   15.2461529    1.7299836  0.00   -0.0029453   -0.0036121   -0.0013875
 H   -6.7721601   13.8364459    1.1101436  0.00    0.0039808    0.0019980    0.0010254
 H   -5.1755163   14.2496704    0.4694014  0.00   -0.0021388   -0.0028892   -0.0022689
 C   -5.0759804   11.9015285    1.8949954  0.00    0.0050643    0.0046789    0.0025290
 H   -4.4913672   11.8424660    0.9735006  0.00    0.0007723    0.0023775    0.0012906
 H   -6.0869406   11.5594631    1.6623022  0.00    0.0085030   -0.0004513    0.0007010
 H   -4.6529640   11.2022794    2.6207349  0.00    0.0006808    0.0029953    0.0002705
 C    5.0027526   13.6309528    2.4543303  0.00    0.0003237    0.0032401    0.0007097
 C    5.6128278   14.5795372    1.4148837  0.00   -0.0045166    0.0004282    0.0014701
 H    6.6214836   14.2504228    1.1523372  0.00   -0.0040519    0.0014398    0.0011572
 H    5.6876664   15.6022548    1.7912431  0.00    0.0029458   -0.0031961   -0.0012001
 H    5.0135275   14.5983627    0.5013077  0.00    0.0023316   -0.0028693   -0.0023563
 C    5.8687883   13.6455083    3.7201959  0.00   -0.0049910    0.0008884   -0.0001327
 H    5.4523955   12.9899968    4.4887962  0.00    0.0024096   -0.0032106   -0.0020944
 H    5.9536035   14.6487907    4.1434833  0.00    0.0026645   -0.0028411   -0.0030584
 H    6.8789582   13.2990165    3.4876054  0.00   -0.0028059    0.0013274    0.0018280
 C    5.0239493   12.2167923    1.8793143  0.00   -0.0062771    0.0038453    0.0025034
 H    4.6357668   11.4805950    2.5877308  0.00   -0.0011811    0.0031830    0.0001104
 H    6.0545930   11.9369148    1.6498574  0.00   -0.0084708   -0.0007347    0.0008235
 H    4.4509023   12.1426967    0.9516202  0.00   -0.0010913    0.0024101    0.0016461
 C   -3.1817406   17.9812716    4.2645826  0.00    0.0039578   -0.0027676    0.0006393
 C   -3.9625541   18.1581142    5.4308345  0.00    0.0001196   -0.0056663    0.0025803
 C   -4.9164608   19.1706355    5.4472174  0.00   -0.0000243    0.0027421    0.0047253
 H   -5.5283415   19.3041240    6.3316563  0.00    0.0014715    0.0044477   -0.0016238
 C   -5.1146291   19.9932254    4.3560127  0.00   -0.0017619    0.0007398   -0.0025720
 H   -5.8743300   20.7656036    4.3868693  0.00    0.0049286    0.0041614    0.0019759
 C   -4.3465277   19.8211353    3.2194981  0.00    0.0040897   -0.0013499    0.0028782
 H   -4.5151809   20.4646656    2.3649846  0.00   -0.0002414    0.0042636    0.0019189
 C   -3.3757406   18.8287230    3.1445507  0.00   -0.0005288   -0.0004208   -0.0026224
 C   -2.6239367   18.6506886    1.8418521  0.00   -0.0015871   -0.0013792    0.0003382
 H   -1.7332479   18.0411935    2.0412797  0.00    0.0052102    0.0027658    0.0008329
 C   -3.4725318   17.8797371    0.8285896  0.00    0.0009083   -0.0001331   -0.0031444
 H   -3.7561791   16.8963103    1.2035709  0.00    0.0013459   -0.0021943   -0.0011676
 H   -2.9205936   17.7437464   -0.1041961  0.00    0.0015027   -0.0033209   -0.0037466
 H   -4.3863997   18.4345139    0.5998862  0.00    0.0019406   -0.0002471    0.0003579
 C   -2.1720787   19.9767117    1.2364298  0.00   -0.0013567   -0.0023418   -0.0005053
 H   -3.0204433   20.5664914    0.8838756  0.00    0.0011738   -0.0016186   -0.0002255
 H   -1.5310751   19.7956056    0.3721396  0.00    0.0004357    0.0011230   -0.0000708
 H   -1.6187979   20.5928168    1.9494113  0.00   -0.0011076    0.0012137   -0.0007000
 C   -3.8532917   17.2558051    6.6394134  0.00    0.0001456   -0.0025166   -0.0030673
 H   -2.9730175   16.6241445    6.5048905  0.00    0.0022364    0.0002477    0.0027544
 C   -5.0664134   16.3306444    6.7396703  0.00   -0.0007101   -0.0047705    0.0002462
 H   -5.9895441   16.9051652    6.8499182  0.00   -0.0001074    0.0011634    0.0000099
 H   -4.9745926   15.6786372    7.6114531  0.00   -0.0015391   -0.0039033    0.0009780
 H   -5.1627520   15.6976971    5.8568765  0.00   -0.0003571   -0.0020894    0.0016290
 C   -3.6921392   18.0444670    7.9381769  0.00    0.0015073   -0.0027543   -0.0004367
 H   -2.8772807   18.7714691    7.8860481  0.00   -0.0012480    0.0001108   -0.0001743
 H   -3.4879166   17.3663322    8.7701421  0.00    0.0000279   -0.0004174   -0.0017239
 H   -4.6014772   18.5950723    8.1891964  0.00    0.0019568   -0.0003737    0.0004047
 C    2.7495597   18.1603211    4.2802104  0.00   -0.0051736   -0.0053300   -0.0008833
 C    2.9031415   18.9878889    3.1408565  0.00    0.0010589   -0.0005514   -0.0022722
 C    3.7733023   20.0695992    3.2125318  0.00   -0.0038681   -0.0003599    0.0001695
 H    3.9069516   20.7012334    2.3421897  0.00    0.0012470    0.0033476    0.0023591
 C    4.4856951   20.3438765    4.3649223  0.00    0.0031130    0.0002111    0.0010147
 H    5.1665308   21.1865775    4.3961874  0.00   -0.0048375    0.0033595    0.0014990
 C    4.3390597   19.5292996    5.4711847  0.00   -0.0021595    0.0024956    0.0015865
 H    4.9153349   19.7382872    6.3646929  0.00   -0.0015781    0.0050337   -0.0000227
 C    3.4857566   18.4304539    5.4577446  0.00    0.0026344   -0.0037042    0.0042874
 C    3.4440668   17.5332990    6.6743617  0.00   -0.0006414   -0.0030586   -0.0027690
 H    2.6125935   16.8376758    6.5453404  0.00   -0.0029765    0.0002842    0.0027699
 C    4.7216582   16.6983587    6.7727681  0.00    0.0011841   -0.0033701    0.0003000
 H    4.8596443   16.0701223    5.8919531  0.00    0.0001057   -0.0020009    0.0008157
 H    4.6806503   16.0453113    7.6476410  0.00    0.0022267   -0.0037226    0.0009171
 H    5.6013249   17.3387324    6.8760011  0.00   -0.0007652    0.0020989   -0.0004441
 C    3.2295942   18.3121017    7.9708507  0.00   -0.0011697   -0.0020930   -0.0007945
 H    4.1010278   18.9196676    8.2248285  0.00   -0.0015666    0.0008210   -0.0005782
 H    3.0667441   17.6232853    8.8030100  0.00    0.0011019   -0.0016262   -0.0005189
 H    2.3696877   18.9849774    7.9159991  0.00   -0.0005005    0.0005667   -0.0008310
 C    2.2123288   18.7046113    1.8243468  0.00    0.0014354   -0.0018312    0.0003558
 H    1.4804865   17.9058904    1.9869543  0.00   -0.0053381    0.0013480    0.0007235
 C    1.4761599   19.9279059    1.2864465  0.00    0.0016389   -0.0018982   -0.0001180
 H    0.7597374   20.3290960    2.0085255  0.00    0.0008658    0.0006417   -0.0011503
 H    0.9319439   19.6728866    0.3751994  0.00   -0.0016490    0.0006194   -0.0003131
 H    2.1677186   20.7347265    1.0355004  0.00   -0.0016277   -0.0020597   -0.0018134
 C    3.2124403   18.1906760    0.7878784  0.00   -0.0006932    0.0007831   -0.0036100
 H    3.9717780   18.9472470    0.5738061  0.00   -0.0022370   -0.0018896    0.0010451
 H    2.7015304   17.9554207   -0.1483843  0.00   -0.0005588   -0.0026915   -0.0043866
 H    3.7192999   17.2892386    1.1339279  0.00   -0.0008614   -0.0032972   -0.0009049
 C   -0.1862190   16.9656694    7.1276667  0.00   -0.0003139   -0.0038558   -0.0021261
 H    0.6720413   17.4964279    7.5753784  0.00   -0.0006936   -0.0020670   -0.0039122
 H   -1.0852279   17.4310955    7.5675522  0.00    0.0002923   -0.0030745   -0.0042241
 C    1.4365095   14.3247759    7.2379668  0.00   -0.0010986   -0.0010257    0.0015880
 H    1.5402621   14.2898360    6.1503784  0.00   -0.0006960    0.0007613    0.0010209
 H    1.4171470   13.2922010    7.5994604  0.00    0.0024338    0.0003094   -0.0002385
 H    2.3375431   14.7895957    7.6454158  0.00   -0.0001278   -0.0000220    0.0014977
 C   -0.1273828   15.2483942    9.6803273  0.00   -0.0000458    0.0009536    0.0003787
 H    0.7344390   15.7980082   10.0679592  0.00    0.0012165    0.0013467    0.0026163
 H   -0.0901360   14.2375981   10.0970453  0.00   -0.0001883    0.0033916   -0.0029264
 H   -1.0288705   15.7320737   10.0656021  0.00   -0.0014019    0.0013197    0.0024411
 C   -1.6126306   14.2138758    7.2329151  0.00    0.0009648   -0.0002119    0.0009924
 H   -2.5459335   14.6124512    7.6379492  0.00    0.0000430    0.0002726    0.0011693
 H   -1.5205371   13.1849391    7.5936804  0.00   -0.0013164    0.0012140   -0.0000911
 H   -1.7103901   14.1726396    6.1449807  0.00    0.0004027    0.0011267    0.0009328
129
 Energy =   -2867.2891513570
 O   -0.1333063   15.5675029    3.8374515  0.00    0.0002007   -0.0015237   -0.0017766
Th   -0.2013001   17.7712943    4.8775850  0.00    0.0000308    0.0028825    0.0008567
Si   -0.1228540   15.2018694    7.8056650  0.00   -0.0002936    0.0042008   -0.0020296
 N   -2.1784830   16.9680723    4.2059468  0.00    0.0049617   -0.0025312   -0.0013634
 N    1.8234394   17.0769780    4.2310391  0.00   -0.0041687   -0.0049589   -0.0012718
 C   -2.5933012   13.1531408    2.6060552  0.00   -0.0018495   -0.0022549   -0.0007354
 H   -2.6546042   12.1556768    2.1953420  0.00   -0.0061806   -0.0070583   -0.0025271
 C   -3.7611768   13.8800209    2.7984938  0.00   -0.0012709    0.0024372   -0.0005989
 C   -3.6673628   15.1723579    3.3297747  0.00    0.0080433    0.0008074    0.0024947
 H   -4.5561604   15.7735973    3.4784330  0.00    0.0009367   -0.0000182   -0.0016834
 C   -2.4371407   15.7104554    3.6667293  0.00   -0.0020840    0.0014495    0.0009621
 C    2.1588489   15.8438570    3.6794602  0.00   -0.0048589    0.0056995    0.0032584
 C    3.4190413   15.3851059    3.3381752  0.00    0.0008715   -0.0024269    0.0002933
 H    4.2703092   16.0371896    3.4930491  0.00   -0.0032706   -0.0001554   -0.0008834
 C    3.5912289   14.1025257    2.8023968  0.00   -0.0024223    0.0041521   -0.0000498
 C    2.4694895   13.3066695    2.6073015  0.00    0.0073518   -0.0048507   -0.0026061
 H    2.5916748   12.3158704    2.1937067  0.00    0.0063184   -0.0049637   -0.0015273
 C   -0.0508573   12.8494934    2.7092801  0.00    0.0019880    0.0065416    0.0003146
 C   -1.3254334   13.6576428    2.9238188  0.00   -0.0064659   -0.0031992   -0.0026701
 C   -1.3061209   14.9212801    3.4560029  0.00   -0.0009265    0.0023694    0.0032633
 C    1.0767614   14.9909530    3.4606860  0.00    0.0019203   -0.0029954    0.0003558
 C    1.1728843   13.7323284    2.9249546  0.00    0.0013644    0.0023959   -0.0005370
 C   -0.0159790   11.6851924    3.7135835  0.00    0.0001594    0.0018648   -0.0015307
 H   -0.0275143   12.0468376    4.7434099  0.00   -0.0000981    0.0056219   -0.0004897
 H    0.8869057   11.0876101    3.5709513  0.00   -0.0005467    0.0024814    0.0029308
 H   -0.8806445   11.0337049    3.5701543  0.00    0.0001947    0.0024966    0.0028313
 C   -0.0334926   12.2812016    1.2838675  0.00   -0.0000495    0.0011213    0.0018601
 H   -0.8908803   11.6284418    1.1168052  0.00   -0.0021240    0.0032230   -0.0006620
 H    0.8617342   11.6813276    1.1171124  0.00    0.0018963    0.0035699   -0.0006731
 H   -0.0575283   13.0774652    0.5380675  0.00    0.0000575    0.0045958    0.0023262
 C   -5.1406840   13.3247220    2.4423276  0.00    0.0032341    0.0029828    0.0008381
 C   -6.0256225   13.3150471    3.6948078  0.00    0.0027964   -0.0010255    0.0001534
 H   -5.5847940   12.7005638    4.4833948  0.00   -0.0008820   -0.0031446   -0.0016275
 H   -7.0103036   12.9056797    3.4551828  0.00    0.0035771    0.0015688    0.0002585
 H   -6.1764134   14.3197627    4.0952399  0.00   -0.0017156   -0.0006325   -0.0029645
 C   -5.7842861   14.2199393    1.3759485  0.00    0.0035700   -0.0003735   -0.0013493
 H   -5.9121353   15.2457168    1.7286149  0.00   -0.0025663   -0.0014704    0.0005113
 H   -6.7724710   13.8365851    1.1090122  0.00    0.0037571    0.0003619    0.0023939
 H   -5.1756948   14.2484027    0.4687704  0.00   -0.0016325   -0.0023294   -0.0017933
 C   -5.0756732   11.9010176    1.8947174  0.00    0.0036202    0.0048439    0.0012999
 H   -4.4909058   11.8422597    0.9733346  0.00    0.0012439    0.0023393    0.0010046
 H   -6.0862290   11.5580569    1.6616966  0.00    0.0074870    0.0005004    0.0010536
 H   -4.6524553   11.2020529    2.6204829  0.00    0.0014198    0.0022732    0.0012777
 C    5.0033238   13.6304470    2.4539204  0.00   -0.0031951    0.0024112    0.0007414
 C    5.6131425   14.5788675    1.4141872  0.00   -0.0032706   -0.0009209   -0.0012660
 H    6.6219100   14.2504199    1.1511784  0.00   -0.0040958   -0.0001506    0.0026083
 H    5.6878244   15.6017870    1.7896444  0.00    0.0023068   -0.0013338    0.0008379
 H    5.0139454   14.5969458    0.5005291  0.00    0.0015281   -0.0023824   -0.0019964
 C    5.8690652   13.6446794    3.7199876  0.00   -0.0026721   -0.0012690   -0.0001390
 H    5.4527107   12.9886254    4.4880825  0.00    0.0013642   -0.0031461   -0.0013701
 H    5.9539057   14.6475043    4.1440393  0.00    0.0018480   -0.0002902   -0.0030976
 H    6.8795149   13.2983579    3.4881365  0.00   -0.0037594    0.0013202   -0.0000053
 C    5.0236685   12.2161889    1.8790237  0.00   -0.0045073    0.0045459    0.0014898
 H    4.6352058   11.4803311    2.5874892  0.00   -0.0018676    0.0022862    0.0011659
 H    6.0539562   11.9353382    1.6492524  0.00   -0.0075917    0.0002945    0.0011862
 H    4.4504613   12.1423880    0.9514527  0.00   -0.0016286    0.0023917    0.0012300
 C   -3.1816821   17.9807675    4.2642659  0.00    0.0053652   -0.0004330    0.0044319
 C   -3.9620129   18.1577183    5.4309566  0.00   -0.0009230    0.0025066   -0.0009482
 C   -4.9145560   19.1718148    5.4479868  0.00    0.0058966   -0.0030239    0.0003265
 H   -5.5252719   19.3060486    6.3326937  0.00   -0.0031010    0.0048158    0.0025284
 C   -5.1117410   19.9951116    4.3571327  0.00   -0.0052507   -0.0007721   -0.0006838
 H   -5.8703969   20.7684338    4.3886776  0.00    0.0043418    0.0045570    0.0015133
 C   -4.3443016   19.8225655    3.2203780  0.00    0.0050226   -0.0035896    0.0006825
 H   -4.5118698   20.4671434    2.3665537  0.00   -0.0014991    0.0042688    0.0003601
 C   -3.3749133   18.8288248    3.1445115  0.00   -0.0008882    0.0015958    0.0005426
 C   -2.6229133   18.6510535    1.8419735  0.00    0.0020809   -0.0029186   -0.0009616
 H   -1.7320495   18.0415089    2.0415530  0.00    0.0029723    0.0050500    0.0005524
 C   -3.4703089   17.8797826    0.8279874  0.00   -0.0003654   -0.0025433   -0.0027224
 H   -3.7532346   16.8959004    1.2024396  0.00    0.0013898   -0.0016186   -0.0009370
 H   -2.9174681   17.7444684   -0.1043539  0.00    0.0010710   -0.0034322   -0.0040243
 H   -4.3847681   18.4332412    0.5985147  0.00    0.0024312    0.0015319    0.0010933
 C   -2.1710509   19.9772801    1.2368043  0.00   -0.0015483   -0.0027513    0.0008482
 H   -3.0193754   20.5670305    0.8838994  0.00    0.0021957   -0.0024235   -0.0000112
 H   -1.5294093   19.7962457    0.3730235  0.00   -0.0001673    0.0012447   -0.0009381
 H   -1.6181191   20.5932489    1.9501826  0.00   -0.0014940    0.0014683   -0.0010658
 C   -3.8527912   17.2555277    6.6394670  0.00    0.0005896   -0.0045668    0.0005539
 H   -2.9726955   16.6234985    6.5049875  0.00    0.0019361    0.0019219    0.0026170
 C   -5.0655987   16.3298949    6.7403938  0.00   -0.0015206   -0.0043224    0.0002530
 H   -5.9894072   16.9034489    6.8503478  0.00    0.0011512    0.0024677    0.0002154
 H   -4.9732342   15.6783538    7.6124754  0.00   -0.0015925   -0.0037622    0.0009797
 H   -5.1615990   15.6962674    5.8581238  0.00   -0.0003051   -0.0023289    0.0002365
 C   -3.6911325   18.0444085    7.9382644  0.00    0.0029544   -0.0029312   -0.0025910
 H   -2.8761997   18.7713515    7.8854539  0.00   -0.0021488   -0.0001247    0.0001652
 H   -3.4860505   17.3663441    8.7700549  0.00   -0.0008893   -0.0005761   -0.0013973
 H   -4.6002371   18.5951658    8.1898978  0.00    0.0020515   -0.0011934   -0.0000664
 C    2.7493911   18.1598051    4.2797218  0.00   -0.0026485    0.0008965    0.0059157
 C    2.9022341   18.9880889    3.1406559  0.00   -0.0015484   -0.0025640    0.0001482
 C    3.7707996   20.0708624    3.2130525  0.00    0.0002189    0.0009587    0.0020217
 H    3.9034219   20.7033327    2.3432463  0.00    0.0022819    0.0033320    0.0011957
 C    4.4826295   20.3456487    4.3657898  0.00    0.0016885   -0.0037706   -0.0028915
 H    5.1621566   21.1891685    4.3975795  0.00   -0.0027738    0.0051828    0.0014511
 C    4.3368590   19.5303653    5.4715657  0.00   -0.0014526    0.0005969    0.0029066
 H    4.9120497   19.7400558    6.3654232  0.00    0.0009816    0.0052331    0.0016397
 C    3.4852705   18.4302204    5.4577669  0.00   -0.0030888   -0.0008321   -0.0033608
 C    3.4434414   17.5331876    6.6743093  0.00   -0.0001147   -0.0039729    0.0014951
 H    2.6122044   16.8371610    6.5453175  0.00   -0.0028011    0.0021081    0.0024567
 C    4.7208025   16.6979251    6.7736744  0.00    0.0014490   -0.0044409    0.0000151
 H    4.8585350   16.0686788    5.8935639  0.00    0.0002134   -0.0017067   -0.0002468
 H    4.6791178   16.0455118    7.6490345  0.00    0.0025592   -0.0033573    0.0005137
 H    5.6011182   17.3374807    6.8765177  0.00   -0.0017178    0.0033344   -0.0001975
 C    3.2284335   18.3122111    7.9708006  0.00   -0.0032124   -0.0026845   -0.0015074
 H    4.0996792   18.9198084    8.2255075  0.00   -0.0017595   -0.0000590   -0.0013007
 H    3.0646498   17.6233301    8.8027998  0.00    0.0022187   -0.0009607   -0.0010159
 H    2.3685009   18.9851469    7.9154091  0.00    0.0007221   -0.0000730   -0.0007690
 C    2.2111868   18.7049615    1.8243025  0.00   -0.0013288   -0.0035921   -0.0006956
 H    1.4789924   17.9063560    1.9870871  0.00   -0.0037266    0.0035977    0.0006679
 C    1.4753054   19.9285342    1.2864948  0.00    0.0013110   -0.0033008   -0.0004857
 H    0.7593040   20.3298939    2.0088693  0.00    0.0010218    0.0011422   -0.0013328
 H    0.9304779   19.6733704    0.3756026  0.00   -0.0006529    0.0012561    0.0000811
 H    2.1671201   20.7350305    1.0350392  0.00   -0.0025605   -0.0025065   -0.0016003
 C    3.2102762   18.1902365    0.7873037  0.00    0.0004406   -0.0035421   -0.0028196
 H    3.9705946   18.9454621    0.5726290  0.00   -0.0018065    0.0011586    0.0014676
 H    2.6984858   17.9555654   -0.1486416  0.00    0.0000001   -0.0029258   -0.0042914
 H    3.7163553   17.2880658    1.1330041  0.00   -0.0017683   -0.0016774   -0.0013578
 C   -0.1862901   16.9657078    7.1278479  0.00    0.0001692   -0.0018663   -0.0031775
 H    0.6720790   17.4974422    7.5745734  0.00   -0.0027247   -0.0040629   -0.0037628
 H   -1.0855061   17.4321827    7.5664920  0.00    0.0021163   -0.0049858   -0.0036366
 C    1.4366507   14.3254213    7.2382734  0.00   -0.0004216    0.0001033    0.0010686
 H    1.5406446   14.2906295    6.1506595  0.00   -0.0015878    0.0009474    0.0016784
 H    1.4174036   13.2929142    7.5995336  0.00    0.0026752   -0.0020766    0.0005444
 H    2.3376956   14.7902015    7.6457702  0.00   -0.0004165    0.0000027    0.0017682
 C   -0.1274682   15.2492347    9.6811575  0.00   -0.0003101    0.0049164   -0.0010240
 H    0.7342676   15.7995592   10.0681557  0.00    0.0004836    0.0002125    0.0027898
 H   -0.0903407   14.2390793   10.0990735  0.00   -0.0000785    0.0013776   -0.0027242
 H   -1.0290487   15.7336487   10.0654810  0.00   -0.0004943    0.0002054    0.0028531
 C   -1.6127401   14.2144545    7.2332239  0.00    0.0000518    0.0013910    0.0006369
 H   -2.5458641   14.6133763    7.6383515  0.00    0.0001024    0.0000319    0.0012948
 H   -1.5212937   13.1854803    7.5936263  0.00   -0.0008106   -0.0008829    0.0008534
 H   -1.7107648   14.1735329    6.1452753  0.00    0.0011728    0.0012938    0.0013967
129
 Energy =   -2867.2891640820
 O   -0.1333357   15.5682079    3.8371347  0.00    0.0001559   -0.0036272   -0.0015634
Th   -0.2012871   17.7714992    4.8778644  0.00   -0.0005215    0.0026518    0.0004452
Si   -0.1227783   15.2011550    7.8060771  0.00   -0.0003615    0.0054778   -0.0035237
 N   -2.1783729   16.9684448    4.2061268  0.00    0.0024118   -0.0043881   -0.0019688
 N    1.8233441   17.0772665    4.2312622  0.00   -0.0025660   -0.0022351   -0.0004342
 C   -2.5935974   13.1536191    2.6062087  0.00   -0.0017378   -0.0047950   -0.0023274
 H   -2.6549311   12.1559157    2.1954746  0.00   -0.0058506   -0.0032630   -0.0009234
 C   -3.7613731   13.8807458    2.7986143  0.00    0.0026750    0.0019021    0.0009826
 C   -3.6671149   15.1730517    3.3299638  0.00   -0.0037225   -0.0010057   -0.0002980
 H   -4.5560016   15.7744994    3.4784246  0.00    0.0032911   -0.0016244   -0.0016787
 C   -2.4371631   15.7108452    3.6668843  0.00    0.0046043    0.0062812    0.0031311
 C    2.1586705   15.8444053    3.6797139  0.00   -0.0002578   -0.0001203   -0.0004905
 C    3.4189607   15.3857262    3.3383730  0.00   -0.0026764   -0.0001247    0.0015522
 H    4.2699276   16.0381314    3.4932586  0.00   -0.0017874   -0.0003115   -0.0008050
 C    3.5912454   14.1032553    2.8025610  0.00   -0.0004148    0.0018432   -0.0000697
 C    2.4697933   13.3071159    2.6074453  0.00    0.0010923   -0.0031103   -0.0017431
 H    2.5919025   12.3162094    2.1938778  0.00    0.0061641   -0.0032958   -0.0008130
 C   -0.0508546   12.8502752    2.7096132  0.00    0.0008498    0.0042337   -0.0000838
 C   -1.3257045   13.6580632    2.9239115  0.00   -0.0012742    0.0031484    0.0011511
 C   -1.3061990   14.9218781    3.4560367  0.00   -0.0016570   -0.0029532    0.0002779
 C    1.0767335   14.9913959    3.4606278  0.00    0.0010440    0.0032823    0.0027889
 C    1.1730621   13.7329148    2.9251067  0.00    0.0016552   -0.0016962   -0.0016638
 C   -0.0159890   11.6862194    3.7142768  0.00    0.0001145    0.0019070   -0.0017591
 H   -0.0275214   12.0479891    4.7441077  0.00   -0.0000744    0.0058912   -0.0014753
 H    0.8867848   11.0885232    3.5719046  0.00    0.0006971    0.0020845    0.0023924
 H   -0.8805502   11.0346025    3.5711467  0.00   -0.0008494    0.0021948    0.0022358
 C   -0.0334961   12.2824346    1.2840447  0.00   -0.0000116    0.0015310    0.0017353
 H   -0.8910141   11.6298896    1.1167853  0.00   -0.0017084    0.0026476   -0.0009695
 H    0.8618487   11.6828125    1.1170978  0.00    0.0016212    0.0028357   -0.0009736
 H   -0.0575315   13.0791794    0.5386163  0.00    0.0000455    0.0031377    0.0031764
 C   -5.1406876   13.3253180    2.4425125  0.00    0.0035542    0.0028474    0.0007414
 C   -6.0254416   13.3152291    3.6950009  0.00   -0.0002586   -0.0013542   -0.0005884
 H   -5.5849675   12.7002550    4.4832414  0.00    0.0013808   -0.0028471    0.0000395
 H   -7.0101811   12.9059512    3.4559552  0.00    0.0021668    0.0003175   -0.0023350
 H   -6.1769404   14.3196445    4.0955429  0.00    0.0001502    0.0015585   -0.0014583
 C   -5.7840612   14.2202292    1.3759144  0.00    0.0001569   -0.0005130   -0.0015326
 H   -5.9126150   15.2459405    1.7281456  0.00   -0.0004551    0.0006702    0.0012177
 H   -6.7721797   13.8373000    1.1087162  0.00    0.0014244   -0.0022364    0.0028067
 H   -5.1759152   14.2481529    0.4685649  0.00    0.0009486   -0.0012739   -0.0024186
 C   -5.0746412   11.9017876    1.8950927  0.00    0.0026267    0.0024081    0.0006384
 H   -4.4898704   11.8433196    0.9737948  0.00    0.0029091    0.0022083    0.0003148
 H   -6.0844993   11.5576261    1.6616958  0.00    0.0036127    0.0011747    0.0008744
 H   -4.6514371   11.2030690    2.6210170  0.00    0.0028647    0.0019918    0.0016803
 C    5.0032592   13.6310830    2.4541424  0.00   -0.0044038    0.0019683    0.0004743
 C    5.6128954   14.5791541    1.4141609  0.00   -0.0002418   -0.0005379   -0.0013314
 H    6.6215680   14.2510987    1.1509364  0.00   -0.0014763   -0.0026636    0.0029605
 H    5.6882959   15.6020932    1.7891540  0.00    0.0000853    0.0003648    0.0015034
 H    5.0142014   14.5967236    0.5002947  0.00   -0.0010495   -0.0015086   -0.0024803
 C    5.8688798   13.6448620    3.7201745  0.00    0.0001450   -0.0010961   -0.0005758
 H    5.4529423   12.9883492    4.4879403  0.00   -0.0009847   -0.0030052    0.0002255
 H    5.9544749   14.6474354    4.1443681  0.00   -0.0001898    0.0015581   -0.0016773
 H    6.8793614   13.2986180    3.4888979  0.00   -0.0021117    0.0001518   -0.0027113
 C    5.0224916   12.2169316    1.8794276  0.00   -0.0026904    0.0023602    0.0007414
 H    4.6339894   11.4813562    2.5880418  0.00   -0.0033185    0.0017168    0.0017547
 H    6.0521726   11.9348388    1.6492769  0.00   -0.0040524    0.0011100    0.0010419
 H    4.4492701   12.1434429    0.9519610  0.00   -0.0033234    0.0021828    0.0003341
 C   -3.1819367   17.9807334    4.2643167  0.00    0.0023304   -0.0024686    0.0002148
 C   -3.9625617   18.1572709    5.4308526  0.00    0.0022598    0.0019650    0.0001380
 C   -4.9147489   19.1716605    5.4478709  0.00    0.0025529   -0.0032137    0.0020768
 H   -5.5252937   19.3065681    6.3326200  0.00   -0.0026919    0.0037991    0.0025893
 C   -5.1120977   19.9947785    4.3569867  0.00   -0.0010336    0.0011068   -0.0003020
 H   -5.8702946   20.7685074    4.3886834  0.00    0.0040150    0.0047744    0.0016514
 C   -4.3446027   19.8221941    3.2202517  0.00    0.0020067   -0.0007076   -0.0003941
 H   -4.5122372   20.4672442    2.3667586  0.00   -0.0007627    0.0034355    0.0001444
 C   -3.3754081   18.8284479    3.1441880  0.00    0.0022513   -0.0000163    0.0031867
 C   -2.6233075   18.6505810    1.8416054  0.00    0.0004783   -0.0016786   -0.0013180
 H   -1.7322002   18.0413615    2.0412341  0.00    0.0021152    0.0048868    0.0004963
 C   -3.4705911   17.8792646    0.8274007  0.00    0.0008901   -0.0039911   -0.0018909
 H   -3.7536229   16.8954591    1.2019227  0.00    0.0016880   -0.0021536   -0.0008493
 H   -2.9176455   17.7435374   -0.1049038  0.00    0.0009282   -0.0022546   -0.0027949
 H   -4.3851020   18.4324823    0.5977694  0.00    0.0022202    0.0022752    0.0008239
 C   -2.1717415   19.9768932    1.2363874  0.00    0.0011524   -0.0021857    0.0017074
 H   -3.0200194   20.5666816    0.8835417  0.00    0.0017626   -0.0025849   -0.0004699
 H   -1.5298604   19.7959404    0.3727260  0.00   -0.0008552    0.0012987   -0.0008695
 H   -1.6187378   20.5929162    1.9497539  0.00   -0.0021802    0.0010355   -0.0012481
 C   -3.8532762   17.2548714    6.6393929  0.00   -0.0016847   -0.0025340    0.0010112
 H   -2.9731406   16.6228426    6.5052530  0.00    0.0018372    0.0020727    0.0014723
 C   -5.0661495   16.3290920    6.7404823  0.00   -0.0018345   -0.0019116    0.0010673
 H   -5.9901065   16.9025639    6.8504359  0.00    0.0024495    0.0019080    0.0002881
 H   -4.9738065   15.6773295    7.6124285  0.00   -0.0010383   -0.0027705    0.0012067
 H   -5.1622507   15.6955336    5.8583070  0.00    0.0000050   -0.0033598   -0.0013730
 C   -3.6914976   18.0439605    7.9381417  0.00    0.0004695   -0.0022334   -0.0027964
 H   -2.8765441   18.7707993    7.8852518  0.00   -0.0010507    0.0001665   -0.0002567
 H   -3.4864510   17.3659082    8.7698788  0.00   -0.0006838   -0.0008297   -0.0005092
 H   -4.6004161   18.5952117    8.1899182  0.00    0.0032581   -0.0031186   -0.0007210
 C    2.7496704   18.1597615    4.2798509  0.00   -0.0022125   -0.0027694   -0.0033780
 C    2.9028469   18.9876813    3.1403072  0.00   -0.0014926   -0.0010175    0.0054199
 C    3.7714270   20.0705198    3.2129999  0.00   -0.0026914   -0.0012753   -0.0039937
 H    3.9042648   20.7031826    2.3433467  0.00    0.0015127    0.0029024    0.0010530
 C    4.4830802   20.3452364    4.3656057  0.00    0.0015726   -0.0005695    0.0045163
 H    5.1622315   21.1891103    4.3976639  0.00   -0.0034060    0.0043966    0.0012775
 C    4.3370967   19.5302272    5.4716399  0.00   -0.0030322   -0.0014549   -0.0023229
 H    4.9118528   19.7405437    6.3654163  0.00    0.0024839    0.0048183    0.0043695
 C    3.4857148   18.4297705    5.4576366  0.00   -0.0009252    0.0022565    0.0032056
 C    3.4438752   17.5325501    6.6742853  0.00    0.0013216   -0.0016920    0.0011700
 H    2.6125345   16.8365281    6.5456093  0.00   -0.0021954    0.0024238    0.0015950
 C    4.7213693   16.6972685    6.7736507  0.00    0.0015639   -0.0022106    0.0007438
 H    4.8590970   16.0681602    5.8935565  0.00    0.0002680   -0.0027479   -0.0017312
 H    4.6798472   16.0445406    7.6488052  0.00    0.0019921   -0.0023316    0.0009807
 H    5.6017365   17.3369220    6.8764476  0.00   -0.0029743    0.0022578   -0.0001735
 C    3.2288549   18.3117336    7.9707590  0.00   -0.0011851   -0.0014859   -0.0014522
 H    4.0997717   18.9201684    8.2252518  0.00   -0.0031778   -0.0024741   -0.0017906
 H    3.0657242   17.6227377    8.8027901  0.00    0.0017081   -0.0005129   -0.0007204
 H    2.3685970   18.9842904    7.9155273  0.00    0.0004633   -0.0004264   -0.0010501
 C    2.2117033   18.7044433    1.8239833  0.00   -0.0004506   -0.0017311   -0.0019403
 H    1.4793292   17.9060369    1.9868371  0.00   -0.0035043    0.0030771    0.0008407
 C    1.4758328   19.9280612    1.2861913  0.00   -0.0008181   -0.0033669    0.0005171
 H    0.7598097   20.3293252    2.0086927  0.00    0.0019144    0.0012363   -0.0017446
 H    0.9306618   19.6728403    0.3755011  0.00   -0.0001756    0.0012322    0.0000345
 H    2.1674717   20.7346195    1.0345725  0.00   -0.0020847   -0.0025074   -0.0016634
 C    3.2106297   18.1897366    0.7866784  0.00   -0.0001046   -0.0049234   -0.0018207
 H    3.9710595   18.9447353    0.5720001  0.00   -0.0012683    0.0023459    0.0011579
 H    2.6988765   17.9549840   -0.1493499  0.00   -0.0001806   -0.0023438   -0.0028477
 H    3.7168374   17.2876425    1.1323948  0.00   -0.0023111   -0.0023890   -0.0015145
 C   -0.1863411   16.9646226    7.1275134  0.00    0.0002003    0.0003770   -0.0038501
 H    0.6720216   17.4970878    7.5734423  0.00   -0.0028986   -0.0042357   -0.0027145
 H   -1.0857680   17.4316566    7.5651625  0.00    0.0023776   -0.0051553   -0.0025266
 C    1.4367896   14.3250996    7.2383879  0.00    0.0001413   -0.0001577    0.0019116
 H    1.5408296   14.2904143    6.1508035  0.00   -0.0019227    0.0012224    0.0011669
 H    1.4179970   13.2925858    7.5995057  0.00    0.0023058   -0.0029785    0.0008150
 H    2.3377781   14.7899490    7.6459027  0.00   -0.0001981    0.0003779    0.0019025
 C   -0.1274216   15.2490563    9.6815766  0.00   -0.0001963    0.0036182   -0.0018156
 H    0.7343902   15.7993374   10.0685261  0.00    0.0000247    0.0003756    0.0025290
 H   -0.0903223   14.2388758   10.0994008  0.00   -0.0001116    0.0015452   -0.0019481
 H   -1.0291046   15.7334361   10.0657365  0.00   -0.0001726    0.0004390    0.0027176
 C   -1.6127612   14.2141583    7.2333110  0.00   -0.0001869    0.0006672    0.0017093
 H   -2.5457404   14.6132606    7.6385062  0.00   -0.0004466    0.0004660    0.0014801
 H   -1.5218804   13.1851031    7.5935177  0.00   -0.0004346   -0.0014744    0.0010682
 H   -1.7108712   14.1734131    6.1454084  0.00    0.0014997    0.0016068    0.0007523
129
 Energy =   -2867.2891884370
 O   -0.1331871   15.5659280    3.8350630  0.00    0.0028960   -0.0022841    0.0003411
Th   -0.2009915   17.7694771    4.8766449  0.00   -0.0000657    0.0049075   -0.0011236
Si   -0.1229261   15.2036411    7.8071974  0.00    0.0002304    0.0021921   -0.0020702
 N   -2.1775079   16.9656973    4.2050511  0.00   -0.0006792    0.0100671    0.0041467
 N    1.8229776   17.0744228    4.2302972  0.00    0.0023168    0.0043256    0.0000841
 C   -2.5939685   13.1510398    2.6044299  0.00   -0.0059986    0.0028474    0.0009298
 H   -2.6560471   12.1532643    2.1935224  0.00   -0.0040946    0.0007492    0.0011106
 C   -3.7616510   13.8791243    2.7971815  0.00    0.0119112   -0.0004967    0.0017908
 C   -3.6670682   15.1713116    3.3287178  0.00    0.0142779   -0.0049735   -0.0007307
 H   -4.5551605   15.7728478    3.4768555  0.00   -0.0064213    0.0042865    0.0003739
 C   -2.4365131   15.7090502    3.6658400  0.00   -0.0119142   -0.0079742   -0.0041487
 C    2.1587215   15.8421282    3.6783496  0.00   -0.0033537    0.0015060    0.0017337
 C    3.4188315   15.3835460    3.3371724  0.00    0.0073390    0.0040662    0.0001200
 H    4.2695209   16.0364377    3.4921503  0.00   -0.0022618   -0.0016385   -0.0007282
 C    3.5919745   14.1016198    2.8010559  0.00   -0.0167499   -0.0091909   -0.0005653
 C    2.4703902   13.3044758    2.6055818  0.00    0.0105133    0.0057861    0.0006428
 H    2.5931481   12.3135399    2.1918060  0.00    0.0044871    0.0002855    0.0010445
 C   -0.0506181   12.8485734    2.7085661  0.00   -0.0022657   -0.0023823   -0.0004349
 C   -1.3262879   13.6558114    2.9223988  0.00    0.0061577    0.0019799    0.0014763
 C   -1.3061838   14.9197871    3.4545548  0.00    0.0002353   -0.0076545   -0.0026816
 C    1.0770930   14.9894346    3.4590660  0.00   -0.0011621   -0.0107282   -0.0041177
 C    1.1739450   13.7305614    2.9234303  0.00   -0.0062324    0.0053566    0.0029694
 C   -0.0158435   11.6842022    3.7132016  0.00    0.0004507    0.0036542    0.0013744
 H   -0.0272832   12.0450782    4.7435518  0.00   -0.0000753    0.0069198   -0.0048740
 H    0.8867257   11.0863255    3.5707352  0.00    0.0020857    0.0021562    0.0017747
 H   -0.8802232   11.0324537    3.5700843  0.00   -0.0022435    0.0024057    0.0014092
 C   -0.0333878   12.2800028    1.2833007  0.00    0.0007932    0.0010173   -0.0000191
 H   -0.8911643   11.6274948    1.1166392  0.00    0.0005649    0.0031109   -0.0015782
 H    0.8622404   11.6804187    1.1168674  0.00   -0.0011204    0.0032447   -0.0014982
 H   -0.0573560   13.0763529    0.5372767  0.00   -0.0000927    0.0021042    0.0047196
 C   -5.1407073   13.3239105    2.4414559  0.00   -0.0025439   -0.0019222   -0.0014401
 C   -6.0252160   13.3129701    3.6940822  0.00    0.0026560    0.0024676    0.0029624
 H   -5.5852710   12.6964231    4.4814788  0.00    0.0031844    0.0004856   -0.0000509
 H   -7.0101842   12.9047913    3.4563087  0.00   -0.0041154   -0.0038282   -0.0085413
 H   -6.1768748   14.3170718    4.0953349  0.00    0.0030783    0.0017474    0.0005856
 C   -5.7839163   14.2182430    1.3744179  0.00    0.0011334    0.0035290   -0.0010350
 H   -5.9127966   15.2441355    1.7259340  0.00    0.0029456    0.0020597    0.0006375
 H   -6.7720475   13.8366438    1.1072639  0.00   -0.0055175   -0.0083520    0.0028917
 H   -5.1765588   14.2447029    0.4664938  0.00    0.0030155    0.0008708   -0.0006379
 C   -5.0743040   11.9004775    1.8942015  0.00    0.0044766   -0.0012124   -0.0001947
 H   -4.4900740   11.8418997    0.9726711  0.00    0.0056679    0.0024428    0.0003515
 H   -6.0833632   11.5552370    1.6606127  0.00   -0.0035328    0.0019114    0.0003026
 H   -4.6515271   11.2015540    2.6201234  0.00    0.0054481    0.0028432    0.0018662
 C    5.0034634   13.6293514    2.4529448  0.00    0.0045619    0.0011323   -0.0005522
 C    5.6130836   14.5768477    1.4124666  0.00   -0.0012728    0.0023531   -0.0014023
 H    6.6217182   14.2499607    1.1494093  0.00    0.0052282   -0.0081036    0.0031834
 H    5.6888373   15.6000456    1.7865503  0.00   -0.0034400    0.0016515    0.0012374
 H    5.0153509   14.5928755    0.4979077  0.00   -0.0030982    0.0005047   -0.0003263
 C    5.8690453   13.6423494    3.7190789  0.00   -0.0024288    0.0011016    0.0024387
 H    5.4538187   12.9842962    4.4860185  0.00   -0.0030327    0.0004146    0.0001020
 H    5.9549788   14.6445490    4.1439681  0.00   -0.0033183    0.0020064    0.0003230
 H    6.8796712   13.2970536    3.4890195  0.00    0.0036047   -0.0031105   -0.0088464
 C    5.0223274   12.2153719    1.8785018  0.00   -0.0064011   -0.0024998   -0.0003933
 H    4.6341039   11.4796671    2.5871253  0.00   -0.0056279    0.0025587    0.0017718
 H    6.0512165   11.9321278    1.6482277  0.00    0.0038905    0.0019000    0.0002726
 H    4.4496110   12.1417652    0.9507999  0.00   -0.0057385    0.0022997    0.0005099
 C   -3.1798673   17.9792623    4.2642815  0.00    0.0049448   -0.0005901   -0.0057167
 C   -3.9595126   18.1570325    5.4312688  0.00    0.0056668   -0.0086478    0.0072013
 C   -4.9082374   19.1740885    5.4499542  0.00   -0.0109987    0.0082053    0.0028576
 H   -5.5178142   19.3118940    6.3354581  0.00    0.0027067   -0.0007067   -0.0022035
 C   -5.1043916   19.9988685    4.3597201  0.00    0.0015958    0.0003898    0.0077420
 H   -5.8593522   20.7758897    4.3931938  0.00    0.0051020    0.0016701    0.0016399
 C   -4.3375819   19.8257284    3.2228864  0.00    0.0032236   -0.0009763   -0.0068204
 H   -4.5033922   20.4739273    2.3711212  0.00    0.0013320   -0.0013610    0.0015838
 C   -3.3713269   18.8288711    3.1449962  0.00   -0.0010538    0.0020879    0.0016959
 C   -2.6187380   18.6518343    1.8423170  0.00    0.0014778   -0.0007337   -0.0001580
 H   -1.7266185   18.0441496    2.0425495  0.00    0.0011988    0.0027655   -0.0000107
 C   -3.4639363   17.8798225    0.8265951  0.00   -0.0004167   -0.0002190    0.0007595
 H   -3.7455952   16.8953983    1.2001791  0.00    0.0011405   -0.0045353   -0.0000416
 H   -2.9101380   17.7456980   -0.1055471  0.00    0.0003038   -0.0013039   -0.0009343
 H   -4.3794808   18.4317732    0.5971414  0.00    0.0051067    0.0009937    0.0006359
 C   -2.1678319   19.9787753    1.2381418  0.00   -0.0021017    0.0003489   -0.0009843
 H   -3.0161309   20.5680711    0.8842570  0.00    0.0023734   -0.0042129   -0.0003926
 H   -1.5245781   19.7989112    0.3753868  0.00   -0.0009213    0.0004986   -0.0021044
 H   -1.6163745   20.5953716    1.9520279  0.00   -0.0015196    0.0013606    0.0010196
 C   -3.8504406   17.2542043    6.6401649  0.00   -0.0019490    0.0022649   -0.0019073
 H   -2.9699018   16.6225508    6.5065894  0.00    0.0002230    0.0017393   -0.0004575
 C   -5.0631179   16.3280215    6.7423134  0.00    0.0012930   -0.0025997   -0.0022992
 H   -5.9872370   16.9013546    6.8509447  0.00    0.0015862    0.0021230    0.0011076
 H   -4.9707107   15.6770862    7.6150152  0.00   -0.0011257   -0.0004495    0.0003232
 H   -5.1585779   15.6930588    5.8608835  0.00    0.0001155   -0.0016469   -0.0001573
 C   -3.6878707   18.0442115    7.9382007  0.00    0.0016522   -0.0033018    0.0013973
 H   -2.8738295   18.7720330    7.8844230  0.00   -0.0001414   -0.0009423   -0.0018257
 H   -3.4808424   17.3665612    8.7698369  0.00   -0.0013075   -0.0001327   -0.0004201
 H   -4.5964728   18.5950333    8.1915627  0.00    0.0004378   -0.0037823   -0.0012475
 C    2.7478179   18.1582295    4.2792609  0.00   -0.0016059   -0.0001786    0.0016328
 C    2.8985887   18.9880780    3.1408287  0.00   -0.0030890   -0.0009708   -0.0037248
 C    3.7635865   20.0737812    3.2148630  0.00    0.0045611    0.0024429   -0.0023416
 H    3.8945619   20.7094237    2.3467887  0.00   -0.0008161   -0.0022470    0.0024627
 C    4.4748284   20.3491042    4.3678140  0.00   -0.0073852   -0.0022342   -0.0006944
 H    5.1501768   21.1960157    4.4012194  0.00   -0.0026064    0.0027089    0.0019463
 C    4.3302226   19.5325050    5.4728595  0.00    0.0130860    0.0096481    0.0103470
 H    4.9037749   19.7456780    6.3675783  0.00   -0.0043454   -0.0006787   -0.0038555
 C    3.4828196   18.4295369    5.4577207  0.00   -0.0084508   -0.0093152    0.0023386
 C    3.4408649   17.5322612    6.6748429  0.00   -0.0000675    0.0018380   -0.0007547
 H    2.6091084   16.8364737    6.5465836  0.00    0.0008114    0.0033496    0.0000637
 C    4.7181975   16.6966356    6.7760131  0.00   -0.0008696   -0.0009913   -0.0019406
 H    4.8555196   16.0654907    5.8971851  0.00    0.0005171   -0.0011681   -0.0009974
 H    4.6764242   16.0454304    7.6524041  0.00    0.0021006   -0.0002873    0.0002458
 H    5.5985835   17.3365706    6.8772753  0.00   -0.0030603    0.0008625    0.0002578
 C    3.2245714   18.3126453    7.9704829  0.00   -0.0003206   -0.0020236    0.0002534
 H    4.0957499   18.9199626    8.2268039  0.00   -0.0023560   -0.0035924   -0.0022603
 H    3.0585520   17.6239165    8.8022115  0.00    0.0020860    0.0010023   -0.0001925
 H    2.3657407   18.9869847    7.9134288  0.00    0.0002651   -0.0026028   -0.0015192
 C    2.2068228   18.7055039    1.8241489  0.00   -0.0011532   -0.0023467    0.0016713
 H    1.4725247   17.9088530    1.9877512  0.00   -0.0015000    0.0018838    0.0003065
 C    1.4725442   19.9300444    1.2865819  0.00    0.0020946    0.0010189   -0.0005060
 H    0.7578942   20.3329939    2.0093371  0.00    0.0015104    0.0013083    0.0000611
 H    0.9259672   19.6755939    0.3767135  0.00   -0.0007834   -0.0004564   -0.0020869
 H    2.1650159   20.7355959    1.0335608  0.00   -0.0026187   -0.0043183   -0.0012543
 C    3.2040179   18.1886147    0.7860180  0.00    0.0016828    0.0018982    0.0002545
 H    3.9663119   18.9422591    0.5717478  0.00   -0.0044916   -0.0004164    0.0014244
 H    2.6915007   17.9555862   -0.1501318  0.00    0.0001992   -0.0021793   -0.0007072
 H    3.7084253   17.2856117    1.1313892  0.00   -0.0013578   -0.0055630   -0.0012927
 C   -0.1863594   16.9658157    7.1270123  0.00    0.0001007   -0.0010646   -0.0078220
 H    0.6719093   17.4992168    7.5713129  0.00   -0.0005896   -0.0025083   -0.0006543
 H   -1.0857643   17.4339949    7.5628996  0.00    0.0001515   -0.0040776   -0.0006603
 C    1.4366126   14.3274446    7.2393943  0.00    0.0001302   -0.0021458    0.0021276
 H    1.5407339   14.2931788    6.1517427  0.00   -0.0023877    0.0015735    0.0019015
 H    1.4181601   13.2946409    7.5998834  0.00    0.0015995   -0.0020257    0.0007528
 H    2.3376652   14.7919102    7.6470436  0.00    0.0004284    0.0010995    0.0022077
 C   -0.1278299   15.2533288    9.6828068  0.00   -0.0000635    0.0008694   -0.0022914
 H    0.7339781   15.8038844   10.0694872  0.00   -0.0008283    0.0002219    0.0019831
 H   -0.0908792   14.2434148   10.1015829  0.00   -0.0002127    0.0032371   -0.0023223
 H   -1.0297074   15.7380274   10.0662148  0.00    0.0005865    0.0003719    0.0024773
 C   -1.6128786   14.2166762    7.2342096  0.00    0.0001048   -0.0012204    0.0016804
 H   -2.5457517   14.6157051    7.6395116  0.00   -0.0016806    0.0011471    0.0019616
 H   -1.5225803   13.1873462    7.5938515  0.00    0.0001640   -0.0009780    0.0011690
 H   -1.7111334   14.1763128    6.1462369  0.00    0.0019755    0.0020910    0.0014160
129
 Energy =   -2867.2892010140
 O   -0.1330333   15.5647909    3.8338939  0.00    0.0008419   -0.0038319    0.0006157
Th   -0.2008153   17.7684432    4.8763121  0.00   -0.0002100    0.0054233   -0.0049842
Si   -0.1229780   15.2049630    7.8078655  0.00    0.0004292   -0.0007380   -0.0013901
 N   -2.1772069   16.9646634    4.2046615  0.00   -0.0001236   -0.0009173   -0.0004895
 N    1.8230043   17.0731160    4.2298031  0.00   -0.0003665    0.0016152   -0.0005255
 C   -2.5942894   13.1499027    2.6035675  0.00    0.0022440   -0.0003952    0.0004501
 H   -2.6568011   12.1520395    2.1925178  0.00   -0.0028806    0.0034487    0.0024971
 C   -3.7613464   13.8782095    2.7964659  0.00    0.0021783   -0.0020610    0.0003548
 C   -3.6665258   15.1702718    3.3280110  0.00   -0.0026486   -0.0004633   -0.0010609
 H   -4.5548902   15.7721780    3.4759710  0.00   -0.0013979    0.0001721   -0.0003104
 C   -2.4366003   15.7078288    3.6650828  0.00    0.0036826   -0.0005889    0.0002357
 C    2.1586039   15.8410115    3.6776612  0.00    0.0063639   -0.0006680   -0.0007721
 C    3.4190048   15.3825107    3.3364968  0.00   -0.0054843    0.0027285    0.0009288
 H    4.2691701   16.0355541    3.4915256  0.00    0.0028459    0.0003390   -0.0002460
 C    3.5917746   14.1004767    2.8002657  0.00    0.0000533   -0.0023614    0.0002579
 C    2.4710177   13.3033392    2.6046288  0.00   -0.0062379    0.0012733    0.0009194
 H    2.5939598   12.3122920    2.1907270  0.00    0.0033730    0.0032847    0.0025237
 C   -0.0505773   12.8476722    2.7080354  0.00   -0.0012371   -0.0038745   -0.0010400
 C   -1.3263595   13.6546974    2.9215874  0.00    0.0055402   -0.0002334    0.0005659
 C   -1.3060929   14.9185481    3.4536098  0.00   -0.0014229   -0.0036693   -0.0007765
 C    1.0772341   14.9880639    3.4579793  0.00   -0.0030057   -0.0002901    0.0010912
 C    1.1741205   13.7296249    2.9226452  0.00   -0.0009971   -0.0062186   -0.0024233
 C   -0.0157534   11.6832837    3.7127045  0.00    0.0005799    0.0010149   -0.0003897
 H   -0.0271389   12.0435932    4.7431452  0.00   -0.0001286    0.0085811   -0.0037249
 H    0.8868084   11.0852909    3.5701067  0.00    0.0012481    0.0029009    0.0017027
 H   -0.8801521   11.0314537    3.5695153  0.00   -0.0014717    0.0031334    0.0013440
 C   -0.0333072   12.2788056    1.2829053  0.00    0.0007259    0.0006463    0.0011580
 H   -0.8912215   11.6263997    1.1166556  0.00    0.0010164    0.0024328   -0.0022978
 H    0.8624286   11.6793234    1.1168346  0.00   -0.0014371    0.0024729   -0.0020751
 H   -0.0572528   13.0748596    0.5366575  0.00   -0.0001826    0.0030040    0.0042031
 C   -5.1408391   13.3230600    2.4408070  0.00    0.0011704   -0.0015694   -0.0008092
 C   -6.0250778   13.3117350    3.6936595  0.00   -0.0002772    0.0009185    0.0014229
 H   -5.5852634   12.6942696    4.4804564  0.00    0.0035649    0.0019400   -0.0000311
 H   -7.0104426   12.9038957    3.4561580  0.00   -0.0016018   -0.0030002   -0.0091628
 H   -6.1766370   14.3156105    4.0954073  0.00    0.0039094    0.0022624    0.0014390
 C   -5.7838850   14.2172186    1.3734880  0.00   -0.0010717    0.0015960   -0.0016238
 H   -5.9126837   15.2432450    1.7245308  0.00    0.0038590    0.0027960    0.0005969
 H   -6.7722837   13.8358867    1.1064651  0.00   -0.0040268   -0.0083767    0.0038178
 H   -5.1767705   14.2427648    0.4652971  0.00    0.0029680    0.0017786    0.0007573
 C   -5.0738811   11.8996433    1.8936791  0.00    0.0004060   -0.0016563   -0.0013374
 H   -4.4897714   11.8412323    0.9721128  0.00    0.0064133    0.0021979    0.0000964
 H   -6.0828563   11.5539550    1.6599941  0.00   -0.0027052    0.0025685    0.0006050
 H   -4.6511565   11.2008727    2.6196787  0.00    0.0063556    0.0023520    0.0023229
 C    5.0037765   13.6284175    2.4522438  0.00   -0.0003738   -0.0009373   -0.0004960
 C    5.6132366   14.5756099    1.4114042  0.00    0.0011748    0.0009041   -0.0016580
 H    6.6221163   14.2489289    1.1485838  0.00    0.0038990   -0.0081777    0.0039643
 H    5.6889227   15.5989943    1.7849182  0.00   -0.0043801    0.0022193    0.0011640
 H    5.0158622   14.5906857    0.4965347  0.00   -0.0033139    0.0013132    0.0009616
 C    5.8691457   13.6409256    3.7185427  0.00    0.0004697    0.0004182    0.0010772
 H    5.4541514   12.9820044    4.4849031  0.00   -0.0036288    0.0018032    0.0001339
 H    5.9550761   14.6428934    4.1439243  0.00   -0.0042055    0.0022171    0.0011072
 H    6.8800981   13.2959513    3.4887156  0.00    0.0013722   -0.0025351   -0.0095722
 C    5.0219345   12.2143515    1.8779541  0.00   -0.0008262   -0.0020160   -0.0013708
 H    4.6337148   11.4788644    2.5866695  0.00   -0.0065736    0.0018238    0.0024351
 H    6.0508116   11.9306689    1.6476389  0.00    0.0025554    0.0022570    0.0005096
 H    4.4493688   12.1409283    0.9502230  0.00   -0.0066264    0.0020423   -0.0000496
 C   -3.1788298   17.9782452    4.2639322  0.00   -0.0034226    0.0061453    0.0025400
 C   -3.9579292   18.1565286    5.4316785  0.00    0.0022515    0.0002203   -0.0001443
 C   -4.9049374   19.1758674    5.4512776  0.00   -0.0025359   -0.0008832    0.0007549
 H   -5.5135077   19.3150774    6.3369780  0.00    0.0007279   -0.0015188    0.0012341
 C   -5.0996891   20.0015213    4.3616730  0.00    0.0026602    0.0024217    0.0026631
 H   -5.8528072   20.7803772    4.3959545  0.00    0.0055403    0.0010076    0.0018026
 C   -4.3335229   19.8278440    3.2242025  0.00   -0.0010905   -0.0007093   -0.0006457
 H   -4.4984335   20.4779145    2.3737495  0.00    0.0023358   -0.0024228   -0.0001239
 C   -3.3693884   18.8291431    3.1453282  0.00    0.0020290    0.0011837   -0.0011126
 C   -2.6162798   18.6524546    1.8426776  0.00    0.0010713    0.0013336    0.0004217
 H   -1.7235891   18.0458071    2.0433811  0.00    0.0011061    0.0010831   -0.0000878
 C   -3.4601127   17.8799923    0.8260161  0.00    0.0008022   -0.0012124    0.0021987
 H   -3.7409328   16.8950109    1.1989547  0.00    0.0013481   -0.0036160   -0.0003325
 H   -2.9056212   17.7469005   -0.1059804  0.00   -0.0004863   -0.0008600    0.0006650
 H   -4.3761246   18.4310705    0.5964515  0.00    0.0048383    0.0012786    0.0004418
 C   -2.1657470   19.9798199    1.2390738  0.00   -0.0009170   -0.0007411   -0.0013936
 H   -3.0139127   20.5686883    0.8845819  0.00    0.0004798   -0.0033315   -0.0012096
 H   -1.5216273   19.8004570    0.3768874  0.00   -0.0012625    0.0002960   -0.0025586
 H   -1.6150639   20.5966677    1.9532993  0.00   -0.0017917    0.0013360    0.0018228
 C   -3.8490594   17.2538470    6.6404526  0.00    0.0011514    0.0000719    0.0000428
 H   -2.9682163   16.6224240    6.5071972  0.00   -0.0013337    0.0018512   -0.0013928
 C   -5.0613941   16.3271449    6.7433262  0.00    0.0015351   -0.0018770   -0.0026179
 H   -5.9856616   16.9003782    6.8513333  0.00    0.0014234    0.0016927    0.0012068
 H   -4.9688762   15.6768324    7.6165976  0.00   -0.0009759    0.0010662   -0.0006777
 H   -5.1565673   15.6913027    5.8624442  0.00    0.0002977   -0.0008316    0.0000629
 C   -3.6858500   18.0441973    7.9382297  0.00    0.0026903   -0.0024573    0.0012525
 H   -2.8721822   18.7724785    7.8838603  0.00   -0.0005476   -0.0017619   -0.0026164
 H   -3.4776584   17.3668091    8.7696613  0.00   -0.0014761   -0.0011290    0.0009616
 H   -4.5942117   18.5947967    8.1924481  0.00   -0.0016209   -0.0035682   -0.0009715
 C    2.7470439   18.1572594    4.2789022  0.00   -0.0000378    0.0037392   -0.0004756
 C    2.8963769   18.9882487    3.1407872  0.00   -0.0005373    0.0018146   -0.0005292
 C    3.7593266   20.0758114    3.2159117  0.00   -0.0005489   -0.0029466   -0.0064160
 H    3.8891234   20.7130851    2.3488443  0.00   -0.0015052   -0.0035805    0.0018211
 C    4.4695792   20.3515198    4.3690777  0.00   -0.0001319    0.0025567    0.0070825
 H    5.1430836   21.2002253    4.4033796  0.00   -0.0053901   -0.0006814    0.0014085
 C    4.3267566   19.5342547    5.4739556  0.00    0.0005680   -0.0013494   -0.0003676
 H    4.8990539   19.7487677    6.3686357  0.00   -0.0007537   -0.0004745    0.0021431
 C    3.4811912   18.4290582    5.4577562  0.00    0.0003984    0.0030161    0.0037420
 C    3.4393023   17.5321383    6.6750521  0.00   -0.0012824    0.0005609    0.0000498
 H    2.6073640   16.8365650    6.5470086  0.00    0.0011384    0.0024934   -0.0005562
 C    4.7164026   16.6960939    6.7773486  0.00   -0.0023389   -0.0010130   -0.0025401
 H    4.8535813   16.0636638    5.8993366  0.00    0.0004185   -0.0000744   -0.0005252
 H    4.6744338   16.0458524    7.6545821  0.00    0.0019163    0.0013525   -0.0009457
 H    5.5967714   17.3361019    6.8778203  0.00   -0.0020154    0.0006567    0.0003570
 C    3.2222425   18.3130355    7.9703048  0.00   -0.0018708   -0.0027108   -0.0007073
 H    4.0933486   18.9197431    8.2276189  0.00    0.0001543   -0.0026888   -0.0016798
 H    3.0546100   17.6244539    8.8017340  0.00    0.0022794    0.0006122    0.0011507
 H    2.3640084   18.9880874    7.9123009  0.00    0.0003331   -0.0030042   -0.0020013
 C    2.2041880   18.7059711    1.8242603  0.00   -0.0016481   -0.0002473    0.0005203
 H    1.4687512   17.9105005    1.9883711  0.00   -0.0008394    0.0001359   -0.0000022
 C    1.4708044   19.9311560    1.2867764  0.00    0.0008101   -0.0008144   -0.0016558
 H    0.7569050   20.3349423    2.0096950  0.00    0.0013800    0.0016864    0.0011223
 H    0.9232907   19.6769976    0.3773572  0.00   -0.0000807   -0.0008734   -0.0017385
 H    2.1636049   20.7359423    1.0328906  0.00   -0.0007546   -0.0028235   -0.0016377
 C    3.2003059   18.1879212    0.7854980  0.00    0.0001054   -0.0004708    0.0016217
 H    3.9635531   18.9405181    0.5713030  0.00   -0.0038166    0.0005680    0.0012772
 H    2.6870975   17.9558429   -0.1506579  0.00    0.0010246   -0.0016488    0.0013403
 H    3.7035729   17.2840596    1.1305252  0.00   -0.0018363   -0.0046739   -0.0018563
 C   -0.1863733   16.9662915    7.1266415  0.00   -0.0001361    0.0004005   -0.0077529
 H    0.6718900   17.5002829    7.5701213  0.00   -0.0005195   -0.0022836    0.0001203
 H   -1.0858921   17.4350729    7.5615894  0.00    0.0004036   -0.0041474   -0.0000479
 C    1.4365838   14.3286343    7.2400709  0.00    0.0005827   -0.0015126    0.0017962
 H    1.5407123   14.2947902    6.1523510  0.00   -0.0025830    0.0015490    0.0027064
 H    1.4183742   13.2956866    7.6001133  0.00    0.0012742   -0.0020287    0.0010116
 H    2.3376503   14.7930989    7.6477829  0.00   -0.0000150    0.0007296    0.0020923
 C   -0.1280583   15.2557392    9.6834976  0.00   -0.0003074    0.0020502   -0.0022535
 H    0.7336458   15.8066101   10.0701059  0.00   -0.0011810   -0.0004351    0.0013454
 H   -0.0912102   14.2461006   10.1028293  0.00   -0.0001972    0.0026972   -0.0018025
 H   -1.0299805   15.7407923   10.0665367  0.00    0.0011609   -0.0003502    0.0019133
 C   -1.6129755   14.2179988    7.2348123  0.00   -0.0009859   -0.0003172    0.0012004
 H   -2.5458120   14.6172213    7.6401780  0.00   -0.0008483    0.0005143    0.0017187
 H   -1.5230562   13.1885323    7.5940568  0.00    0.0004410   -0.0012326    0.0014926
 H   -1.7113159   14.1780423    6.1467618  0.00    0.0023168    0.0020792    0.0025061
129
 Energy =   -2867.2892129880
 O   -0.1328412   15.5631328    3.8323455  0.00   -0.0015832   -0.0013997    0.0030238
Th   -0.2006027   17.7674727    4.8754862  0.00    0.0000622    0.0037427   -0.0093212
Si   -0.1230200   15.2064968    7.8086923  0.00    0.0002405   -0.0031752   -0.0011706
 N   -2.1767563   16.9630968    4.2040877  0.00   -0.0001593   -0.0012494   -0.0011826
 N    1.8229299   17.0714481    4.2291670  0.00   -0.0002857    0.0016123   -0.0011581
 C   -2.5944695   13.1484081    2.6025025  0.00    0.0088441    0.0025624    0.0024877
 H   -2.6579973   12.1507146    2.1914245  0.00   -0.0003185    0.0023390    0.0024083
 C   -3.7609939   13.8770741    2.7956026  0.00   -0.0063359   -0.0024728   -0.0010825
 C   -3.6661801   15.1690609    3.3270722  0.00   -0.0033795    0.0040220    0.0006541
 H   -4.5544496   15.7714069    3.4748305  0.00   -0.0001829   -0.0018469   -0.0004456
 C   -2.4362375   15.7064665    3.6642714  0.00   -0.0000074   -0.0014125   -0.0008895
 C    2.1587928   15.8395889    3.6767720  0.00   -0.0055765   -0.0009275   -0.0000356
 C    3.4187301   15.3813605    3.3357157  0.00    0.0054716   -0.0024227   -0.0023500
 H    4.2688249   16.0346153    3.4907646  0.00    0.0026980   -0.0009289   -0.0004238
 C    3.5917132   14.0991390    2.7993349  0.00    0.0052092    0.0041297    0.0017221
 C    2.4712953   13.3019287    2.6034964  0.00   -0.0053159   -0.0021940   -0.0001114
 H    2.5952304   12.3109343    2.1895473  0.00    0.0008098    0.0044582    0.0033109
 C   -0.0505577   12.8463961    2.7073429  0.00    0.0017204   -0.0050275   -0.0015028
 C   -1.3262051   13.6532860    2.9205782  0.00   -0.0015775   -0.0072627   -0.0026062
 C   -1.3060757   14.9168393    3.4523911  0.00    0.0033323    0.0040705    0.0030215
 C    1.0772744   14.9865118    3.4567353  0.00    0.0015100   -0.0015368    0.0005005
 C    1.1743395   13.7279695    2.9214428  0.00   -0.0030036    0.0002044    0.0009282
 C   -0.0156170   11.6823001    3.7122241  0.00   -0.0005634   -0.0016399   -0.0012365
 H   -0.0269753   12.0424944    4.7426143  0.00   -0.0001195    0.0098763   -0.0026201
 H    0.8869433   11.0842609    3.5697335  0.00    0.0010149    0.0028836    0.0013942
 H   -0.8801108   11.0304731    3.5692042  0.00   -0.0007017    0.0032169    0.0013218
 C   -0.0331776   12.2775553    1.2824489  0.00   -0.0012267    0.0001509    0.0002538
 H   -0.8912696   11.6254216    1.1163870  0.00    0.0011680    0.0010535   -0.0032470
 H    0.8626171   11.6783524    1.1165193  0.00   -0.0005128    0.0006064   -0.0027265
 H   -0.0571388   13.0735562    0.5362218  0.00   -0.0002131    0.0037792    0.0036410
 C   -5.1408810   13.3220491    2.4400093  0.00    0.0022669   -0.0002697   -0.0003197
 C   -6.0249770   13.3102827    3.6932293  0.00   -0.0036687   -0.0015068   -0.0029579
 H   -5.5851209   12.6916919    4.4791840  0.00    0.0033213    0.0036200    0.0001231
 H   -7.0108464   12.9027117    3.4557195  0.00    0.0035228   -0.0008338   -0.0085682
 H   -6.1762736   14.3139448    4.0956211  0.00    0.0045168    0.0018536    0.0019616
 C   -5.7839311   14.2160840    1.3722437  0.00   -0.0038900   -0.0024056   -0.0003303
 H   -5.9124666   15.2423589    1.7227766  0.00    0.0044863    0.0021830   -0.0000170
 H   -6.7727515   13.8347304    1.1055728  0.00    0.0002643   -0.0067057    0.0050958
 H   -5.1769380   14.2404606    0.4638383  0.00    0.0021950    0.0028484    0.0021661
 C   -5.0732347   11.8986544    1.8930176  0.00   -0.0011175   -0.0019735   -0.0015363
 H   -4.4888691   11.8407416    0.9715151  0.00    0.0056205    0.0013443    0.0009194
 H   -6.0820364   11.5523422    1.6592340  0.00   -0.0017732    0.0027633    0.0006783
 H   -4.6501782   11.2003572    2.6193774  0.00    0.0058343    0.0024612    0.0009401
 C    5.0040530   13.6272987    2.4513940  0.00   -0.0028802   -0.0016572   -0.0004291
 C    5.6135092   14.5741937    1.4100080  0.00    0.0038585   -0.0017042    0.0000137
 H    6.6227674   14.2474467    1.1476771  0.00    0.0002996   -0.0068816    0.0049194
 H    5.6889171   15.5978956    1.7829144  0.00   -0.0049387    0.0011899    0.0003560
 H    5.0163806   14.5880616    0.4948677  0.00   -0.0027481    0.0022413    0.0023974
 C    5.8693415   13.6392383    3.7179628  0.00    0.0036417   -0.0004982   -0.0024019
 H    5.4544287   12.9792623    4.4835330  0.00   -0.0035694    0.0035059    0.0001182
 H    5.9551091   14.6409973    4.1439816  0.00   -0.0047960    0.0012438    0.0014263
 H    6.8806964   13.2945374    3.4880747  0.00   -0.0030135   -0.0009775   -0.0091920
 C    5.0213052   12.2131266    1.8772677  0.00    0.0021077   -0.0014975   -0.0014443
 H    4.6326637   11.4781687    2.5863669  0.00   -0.0061058    0.0018121    0.0012666
 H    6.0500960   11.9288048    1.6469119  0.00    0.0009982    0.0022105    0.0005442
 H    4.4484959   12.1402199    0.9496017  0.00   -0.0059076    0.0012353    0.0005733
 C   -3.1777161   17.9772783    4.2637830  0.00   -0.0014286    0.0048146    0.0006920
 C   -3.9558515   18.1559421    5.4320811  0.00   -0.0027154    0.0061916    0.0000978
 C   -4.9007259   19.1776819    5.4528727  0.00    0.0022697   -0.0028503   -0.0024300
 H   -5.5080210   19.3189244    6.3389471  0.00   -0.0004823   -0.0034676    0.0035813
 C   -5.0936665   20.0047655    4.3640476  0.00    0.0039480   -0.0009076    0.0016284
 H   -5.8444972   20.7856387    4.3993097  0.00    0.0043313    0.0022931    0.0021912
 C   -4.3285422   19.8301790    3.2258950  0.00   -0.0025309    0.0014940    0.0011099
 H   -4.4920873   20.4825780    2.3769686  0.00    0.0029106   -0.0040447   -0.0013594
 C   -3.3667384   18.8294334    3.1455929  0.00    0.0017972    0.0008623    0.0015492
 C   -2.6130856   18.6532629    1.8430833  0.00    0.0013091    0.0011342    0.0002237
 H   -1.7195929   18.0478916    2.0442138  0.00    0.0004687   -0.0005835   -0.0000036
 C   -3.4553624   17.8801180    0.8254253  0.00    0.0027492   -0.0026376    0.0032330
 H   -3.7352405   16.8944423    1.1975314  0.00    0.0016516   -0.0019737   -0.0003183
 H   -2.9002737   17.7481645   -0.1065337  0.00   -0.0009800   -0.0001426    0.0029243
 H   -4.3717642   18.4303266    0.5957434  0.00    0.0034460    0.0016671    0.0001882
 C   -2.1632574   19.9810796    1.2400828  0.00    0.0024790   -0.0001050   -0.0003658
 H   -3.0113218   20.5692455    0.8848704  0.00   -0.0025142   -0.0017430   -0.0024406
 H   -1.5180604   19.8025008    0.3785527  0.00   -0.0017289   -0.0000911   -0.0026630
 H   -1.6136377   20.5984122    1.9548850  0.00   -0.0030564    0.0001227    0.0009576
 C   -3.8472058   17.2532432    6.6409175  0.00    0.0011584   -0.0000320    0.0005027
 H   -2.9662005   16.6221789    6.5081184  0.00   -0.0002175    0.0001163   -0.0032429
 C   -5.0592537   16.3259366    6.7444426  0.00    0.0007953    0.0027369   -0.0005675
 H   -5.9836678   16.8992918    6.8518159  0.00    0.0025493    0.0001705    0.0007939
 H   -4.9668843   15.6764225    7.6184238  0.00   -0.0003501    0.0023946   -0.0015189
 H   -5.1541617   15.6891648    5.8643178  0.00    0.0004885   -0.0010622   -0.0016070
 C   -3.6832585   18.0440641    7.9383732  0.00   -0.0007963   -0.0008498    0.0000311
 H   -2.8702687   18.7729633    7.8830603  0.00    0.0003947   -0.0017463   -0.0030584
 H   -3.4737984   17.3670901    8.7695907  0.00   -0.0010384   -0.0027952    0.0032298
 H   -4.5915933   18.5943436    8.1935232  0.00   -0.0017389   -0.0044524   -0.0011109
 C    2.7460410   18.1562084    4.2784253  0.00    0.0011753    0.0050823    0.0028776
 C    2.8935752   18.9884392    3.1407288  0.00   -0.0001371    0.0023367    0.0004185
 C    3.7540008   20.0778942    3.2168698  0.00    0.0036195   -0.0031730    0.0075839
 H    3.8823622   20.7172497    2.3514938  0.00   -0.0016827   -0.0026698   -0.0033544
 C    4.4631473   20.3544488    4.3710911  0.00   -0.0041923    0.0004800   -0.0049415
 H    5.1341367   21.2050386    4.4060617  0.00   -0.0046534    0.0000324    0.0022651
 C    4.3222309   19.5360076    5.4750782  0.00   -0.0013142   -0.0033869    0.0022500
 H    4.8930456   19.7525202    6.3701777  0.00   -0.0002570   -0.0023538    0.0031522
 C    3.4792474   18.4286285    5.4580237  0.00   -0.0004685    0.0058003   -0.0019815
 C    3.4372460   17.5318468    6.6754009  0.00    0.0002693    0.0010011    0.0004636
 H    2.6052332   16.8365890    6.5477462  0.00   -0.0006098    0.0003040   -0.0025507
 C    4.7141162   16.6953379    6.7788273  0.00   -0.0018713    0.0019487   -0.0012690
 H    4.8512683   16.0615190    5.9018576  0.00    0.0001509    0.0002602   -0.0015450
 H    4.6723366   16.0462864    7.6570683  0.00    0.0010108    0.0028056   -0.0019291
 H    5.5944432   17.3356451    6.8784101  0.00   -0.0020524   -0.0005688    0.0000505
 C    3.2192943   18.3133840    7.9700678  0.00    0.0002853   -0.0019102   -0.0005260
 H    4.0904880   18.9194324    8.2284807  0.00    0.0011444   -0.0028105   -0.0015689
 H    3.0499049   17.6252253    8.8013185  0.00    0.0019997   -0.0004902    0.0030491
 H    2.3619416   18.9893373    7.9107949  0.00   -0.0008688   -0.0027925   -0.0023458
 C    2.2007749   18.7065037    1.8243503  0.00   -0.0010845    0.0009500   -0.0007722
 H    1.4639142   17.9124783    1.9889904  0.00    0.0000049   -0.0018782   -0.0001215
 C    1.4686821   19.9324573    1.2868569  0.00   -0.0026674   -0.0019129   -0.0011062
 H    0.7557807   20.3374793    2.0101443  0.00    0.0023398    0.0013811    0.0007689
 H    0.9199304   19.6787028    0.3780480  0.00    0.0006266   -0.0014672   -0.0014025
 H    2.1619212   20.7362129    1.0318720  0.00    0.0019585   -0.0006693   -0.0022963
 C    3.1957309   18.1869891    0.7849521  0.00   -0.0021055   -0.0038459    0.0033401
 H    3.9599866   18.9384345    0.5709473  0.00   -0.0022528    0.0017804    0.0010451
 H    2.6819445   17.9560127   -0.1513062  0.00    0.0013559   -0.0008808    0.0034483
 H    3.6975938   17.2820091    1.1294715  0.00   -0.0024353   -0.0028574   -0.0021865
 C   -0.1864062   16.9667441    7.1256372  0.00    0.0002863    0.0017590   -0.0067038
 H    0.6718408   17.5015145    7.5681909  0.00   -0.0008939   -0.0021628    0.0007778
 H   -1.0860566   17.4362354    7.5594822  0.00    0.0005537   -0.0040502    0.0007359
 C    1.4365805   14.3300094    7.2410167  0.00    0.0009941   -0.0008457    0.0026057
 H    1.5405316   14.2968433    6.1532564  0.00   -0.0024060    0.0013105    0.0025582
 H    1.4187468   13.2968475    7.6004593  0.00    0.0008832   -0.0016975    0.0011957
 H    2.3376410   14.7945562    7.6488054  0.00   -0.0007263    0.0001088    0.0017801
 C   -0.1283517   15.2588040    9.6843237  0.00   -0.0003200    0.0025667   -0.0018340
 H    0.7332054   15.8098749   10.0710410  0.00   -0.0010695   -0.0006725    0.0004573
 H   -0.0916204   14.2494771   10.1042870  0.00   -0.0001719    0.0018303   -0.0013784
 H   -1.0302662   15.7441097   10.0671285  0.00    0.0010779   -0.0006024    0.0011529
 C   -1.6131478   14.2195904    7.2356307  0.00   -0.0012907   -0.0002508    0.0025325
 H   -2.5459130   14.6190672    7.6410868  0.00   -0.0000058   -0.0002104    0.0013710
 H   -1.5236765   13.1898812    7.5943795  0.00    0.0005762   -0.0005116    0.0014336
 H   -1.7113918   14.1802695    6.1475544  0.00    0.0022367    0.0018154    0.0023107
129
 Energy =   -2867.2892233240
 O   -0.1327387   15.5617073    3.8314811  0.00   -0.0006188    0.0022004    0.0044828
Th   -0.2004682   17.7671331    4.8740496  0.00   -0.0005731    0.0009687   -0.0081829
Si   -0.1230506   15.2075998    7.8090701  0.00   -0.0002449   -0.0018073   -0.0009826
 N   -2.1764535   16.9619350    4.2035736  0.00   -0.0005451   -0.0000963   -0.0022933
 N    1.8228788   17.0703332    4.2285484  0.00   -0.0028658    0.0024533   -0.0008140
 C   -2.5941782   13.1474324    2.6018364  0.00   -0.0026745    0.0007834    0.0013837
 H   -2.6587567   12.1498644    2.1907887  0.00    0.0020867    0.0011299    0.0020582
 C   -3.7609787   13.8760843    2.7949294  0.00   -0.0010387    0.0003225   -0.0007897
 C   -3.6659847   15.1681937    3.3263475  0.00   -0.0097466   -0.0001506   -0.0005513
 H   -4.5542949   15.7706688    3.4740217  0.00    0.0008285   -0.0025029   -0.0003819
 C   -2.4361572   15.7052904    3.6635555  0.00    0.0070646    0.0024774    0.0008309
 C    2.1585978   15.8384756    3.6760990  0.00    0.0066008   -0.0027504   -0.0031434
 C    3.4189974   15.3803401    3.3349719  0.00   -0.0068069   -0.0004442    0.0010547
 H    4.2688179   16.0336928    3.4901594  0.00    0.0051404    0.0003977   -0.0001669
 C    3.5917697   14.0981767    2.7987046  0.00    0.0064898    0.0026110   -0.0006546
 C    2.4712813   13.3009004    2.6026931  0.00   -0.0021765    0.0001578    0.0018009
 H    2.5961035   12.3101179    2.1888764  0.00   -0.0011324    0.0021290    0.0023686
 C   -0.0504890   12.8450186    2.7067131  0.00    0.0018063   -0.0010756   -0.0007222
 C   -1.3260203   13.6518454    2.9197495  0.00   -0.0000881    0.0025791    0.0018523
 C   -1.3058842   14.9156365    3.4516575  0.00    0.0000796   -0.0013958    0.0007883
 C    1.0773695   14.9851334    3.4558731  0.00   -0.0021286    0.0042464    0.0038629
 C    1.1742628   13.7267243    2.9206518  0.00    0.0012058   -0.0032081   -0.0008897
 C   -0.0155441   11.6813611    3.7117344  0.00    0.0002342   -0.0009338    0.0000647
 H   -0.0268673   12.0422107    4.7418880  0.00   -0.0001700    0.0089548   -0.0020435
 H    0.8871290   11.0835039    3.5694579  0.00    0.0009583    0.0018823    0.0014192
 H   -0.8801493   11.0297715    3.5689591  0.00   -0.0011973    0.0017327    0.0012975
 C   -0.0331430   12.2764597    1.2820999  0.00    0.0001021   -0.0005835   -0.0021960
 H   -0.8911986   11.6245275    1.1158818  0.00   -0.0002532   -0.0003993   -0.0035242
 H    0.8626787   11.6774360    1.1160203  0.00    0.0000252   -0.0002007   -0.0029287
 H   -0.0570744   13.0726141    0.5361508  0.00   -0.0002842    0.0043234    0.0024117
 C   -5.1408511   13.3211819    2.4393633  0.00   -0.0005635   -0.0003512   -0.0005435
 C   -6.0251198   13.3091840    3.6927747  0.00    0.0006678   -0.0005888   -0.0035612
 H   -5.5847875   12.6901222    4.4783222  0.00    0.0009659    0.0048664   -0.0013557
 H   -7.0110082   12.9017584    3.4547583  0.00    0.0044527    0.0001158   -0.0068335
 H   -6.1756743   14.3128979    4.0958456  0.00    0.0034848   -0.0011434    0.0002395
 C   -5.7842247   14.2151549    1.3713399  0.00    0.0000514   -0.0027822    0.0015128
 H   -5.9119683   15.2418291    1.7216136  0.00    0.0031881   -0.0012214   -0.0009964
 H   -6.7731876   13.8333838    1.1052653  0.00    0.0023287   -0.0043717    0.0046570
 H   -5.1768631   14.2390319    0.4629559  0.00   -0.0006856    0.0027679    0.0038300
 C   -5.0729758   11.8977060    1.8924007  0.00    0.0013901    0.0000941   -0.0005541
 H   -4.4880363   11.8403328    0.9710701  0.00    0.0029839    0.0002516    0.0022159
 H   -6.0818363   11.5513380    1.6586980  0.00   -0.0000885    0.0020102    0.0004677
 H   -4.6492838   11.2000052    2.6191497  0.00    0.0036298    0.0024622   -0.0011243
 C    5.0041922   13.6263257    2.4507184  0.00   -0.0014504   -0.0017952   -0.0005614
 C    5.6139637   14.5730909    1.4090133  0.00   -0.0001660   -0.0027440    0.0018537
 H    6.6233738   14.2458739    1.1473414  0.00   -0.0017391   -0.0045686    0.0043837
 H    5.6885437   15.5971446    1.7816097  0.00   -0.0033681   -0.0015637   -0.0005826
 H    5.0165190   14.5863623    0.4938597  0.00    0.0000771    0.0023114    0.0041158
 C    5.8696949   13.6380141    3.7174284  0.00   -0.0007951   -0.0001856   -0.0033612
 H    5.4543667   12.9775654    4.4826017  0.00   -0.0012821    0.0049265   -0.0013004
 H    5.9547645   14.6397528    4.1440592  0.00   -0.0034767   -0.0012194   -0.0000565
 H    6.8810247   13.2934223    3.4869377  0.00   -0.0038925   -0.0001010   -0.0072934
 C    5.0211163   12.2120239    1.8766318  0.00   -0.0009324    0.0005786   -0.0002913
 H    4.6317377   11.4776529    2.5861560  0.00   -0.0037562    0.0021334   -0.0010122
 H    6.0499457   11.9275835    1.6463799  0.00   -0.0004905    0.0013266    0.0002459
 H    4.4476978   12.1396556    0.9491174  0.00   -0.0030688    0.0002465    0.0021746
 C   -3.1767633   17.9768754    4.2636402  0.00    0.0026581    0.0023060    0.0065741
 C   -3.9542930   18.1558715    5.4325495  0.00   -0.0003106    0.0051666   -0.0049575
 C   -4.8976839   19.1788396    5.4539305  0.00    0.0024372   -0.0016372    0.0032624
 H   -5.5039868   19.3212802    6.3406064  0.00   -0.0006244   -0.0048065    0.0018473
 C   -5.0892074   20.0070197    4.3658831  0.00    0.0010850   -0.0013008   -0.0061086
 H   -5.8382950   20.7894534    4.4018187  0.00    0.0025634    0.0020599    0.0023717
 C   -4.3250015   19.8318708    3.2270731  0.00   -0.0013430    0.0002234    0.0063392
 H   -4.4871649   20.4855473    2.3790884  0.00    0.0011687   -0.0032686   -0.0038656
 C   -3.3645948   18.8298244    3.1460010  0.00    0.0003316    0.0023134   -0.0013385
 C   -2.6106373   18.6539950    1.8434469  0.00    0.0029976   -0.0014068    0.0021015
 H   -1.7166698   18.0493381    2.0447793  0.00   -0.0003139   -0.0011955    0.0001870
 C   -3.4517995   17.8801794    0.8253191  0.00    0.0016027   -0.0005613    0.0028727
 H   -3.7309919   16.8939798    1.1966642  0.00    0.0012583   -0.0007889    0.0005558
 H   -2.8965302   17.7491825   -0.1066536  0.00   -0.0001756   -0.0003949    0.0031832
 H   -4.3683490   18.4301030    0.5954349  0.00    0.0028839    0.0006461    0.0005584
 C   -2.1612283   19.9820361    1.2408389  0.00    0.0006878    0.0013419   -0.0013540
 H   -3.0094670   20.5695584    0.8849859  0.00   -0.0026868   -0.0013479   -0.0020907
 H   -1.5155747   19.8040682    0.3795671  0.00   -0.0013479   -0.0004772   -0.0022573
 H   -1.6127538   20.5997718    1.9561746  0.00   -0.0025988   -0.0003604   -0.0000363
 C   -3.8457445   17.2529595    6.6412732  0.00    0.0012398    0.0003616    0.0010003
 H   -2.9647261   16.6220891    6.5085664  0.00    0.0010695   -0.0012223   -0.0043101
 C   -5.0576012   16.3253796    6.7451600  0.00    0.0009802    0.0026707   -0.0012487
 H   -5.9820017   16.8987367    6.8522086  0.00    0.0014646    0.0003126    0.0003221
 H   -4.9654246   15.6764589    7.6196232  0.00    0.0003543    0.0024689   -0.0017245
 H   -5.1522531   15.6877604    5.8654943  0.00    0.0004352    0.0006214   -0.0010247
 C   -3.6813651   18.0439487    7.9385447  0.00   -0.0009579   -0.0011240    0.0004148
 H   -2.8688595   18.7733356    7.8822978  0.00    0.0002601   -0.0022997   -0.0020398
 H   -3.4710898   17.3672487    8.7698351  0.00   -0.0009358   -0.0025484    0.0024829
 H   -4.5897884   18.5936954    8.1942307  0.00   -0.0026360   -0.0035102   -0.0009690
 C    2.7451855   18.1557715    4.2782165  0.00   -0.0045750    0.0046546    0.0008815
 C    2.8913316   18.9887633    3.1408013  0.00    0.0017951    0.0002441    0.0034813
 C    3.7503729   20.0792164    3.2179316  0.00   -0.0024789    0.0000657   -0.0031787
 H    3.8771622   20.7199632    2.3531375  0.00   -0.0005128   -0.0053739   -0.0013028
 C    4.4582834   20.3564892    4.3722641  0.00    0.0051906   -0.0019005    0.0044707
 H    5.1274696   21.2084611    4.4081158  0.00   -0.0037427   -0.0005622    0.0013994
 C    4.3190522   19.5371434    5.4760506  0.00   -0.0059958   -0.0010428   -0.0036087
 H    4.8886281   19.7548595    6.3715012  0.00    0.0018670   -0.0030208    0.0044263
 C    3.4775713   18.4286060    5.4582338  0.00    0.0022374    0.0066826   -0.0013725
 C    3.4357063   17.5318331    6.6756706  0.00   -0.0019885   -0.0007392   -0.0005098
 H    2.6036534   16.8367124    6.5481024  0.00   -0.0012648   -0.0008164   -0.0034286
 C    4.7123012   16.6950535    6.7797773  0.00   -0.0006545    0.0021618   -0.0018621
 H    4.8494943   16.0601528    5.9035103  0.00   -0.0002637    0.0015519   -0.0015323
 H    4.6708224   16.0469431    7.6587360  0.00   -0.0001214    0.0025429   -0.0021569
 H    5.5925806   17.3354086    6.8788446  0.00   -0.0006567   -0.0000866   -0.0002680
 C    3.2171112   18.3135740    7.9699042  0.00    0.0008335   -0.0003919    0.0008796
 H    4.0884772   18.9189269    8.2290285  0.00    0.0021804   -0.0015334   -0.0014311
 H    3.0465282   17.6259231    8.8012925  0.00    0.0019047   -0.0013391    0.0029640
 H    2.3604336   18.9902559    7.9095011  0.00   -0.0012170   -0.0031132   -0.0015043
 C    2.1981748   18.7070248    1.8244476  0.00   -0.0019789   -0.0014855    0.0008417
 H    1.4604153   17.9137994    1.9893913  0.00    0.0016024   -0.0019101   -0.0000527
 C    1.4669361   19.9333604    1.2869031  0.00   -0.0016025    0.0005187   -0.0014153
 H    0.7550685   20.3395368    2.0105432  0.00    0.0019474    0.0005264    0.0000756
 H    0.9175478   19.6799456    0.3784375  0.00    0.0004095   -0.0020473   -0.0013625
 H    2.1607215   20.7364035    1.0310753  0.00    0.0018914   -0.0008552   -0.0019599
 C    3.1923240   18.1862539    0.7848883  0.00   -0.0010979   -0.0012138    0.0026876
 H    3.9571741   18.9372416    0.5709418  0.00   -0.0024028    0.0001322    0.0013502
 H    2.6783289   17.9561399   -0.1514251  0.00    0.0004354   -0.0008987    0.0031325
 H    3.6930720   17.2804083    1.1287555  0.00   -0.0014818   -0.0019403   -0.0009010
 C   -0.1864037   16.9674041    7.1244060  0.00    0.0006034   -0.0002206   -0.0036730
 H    0.6716963   17.5023498    7.5670001  0.00   -0.0008505   -0.0019063    0.0005474
 H   -1.0860278   17.4369471    7.5581907  0.00    0.0003924   -0.0036844    0.0005535
 C    1.4366045   14.3309679    7.2418517  0.00    0.0001953   -0.0006400    0.0018466
 H    1.5401774   14.2984375    6.1540406  0.00   -0.0015184    0.0006474    0.0024264
 H    1.4189874   13.2976202    7.6007944  0.00    0.0006789   -0.0012474    0.0014280
 H    2.3375982   14.7956286    7.6496414  0.00   -0.0006233   -0.0001305    0.0017346
 C   -0.1285834   15.2610940    9.6847029  0.00   -0.0002220    0.0018223   -0.0005335
 H    0.7328313   15.8121132   10.0716847  0.00   -0.0002355    0.0000665   -0.0001595
 H   -0.0919290   14.2520762   10.1053380  0.00   -0.0001010    0.0008134   -0.0020052
 H   -1.0304146   15.7463870   10.0675953  0.00    0.0002331    0.0000708    0.0005454
 C   -1.6133292   14.2207231    7.2363762  0.00   -0.0002607   -0.0000994    0.0019337
 H   -2.5460294   14.6203679    7.6418161  0.00    0.0000663   -0.0005381    0.0013447
 H   -1.5240249   13.1908484    7.5947196  0.00    0.0005254   -0.0001305    0.0015214
 H   -1.7112395   14.1820034    6.1482470  0.00    0.0014660    0.0010858    0.0022659
129
 Energy =   -2867.2892360080
 O   -0.1328057   15.5627263    3.8324679  0.00   -0.0029152    0.0035689    0.0037943
Th   -0.2006325   17.7689046    4.8733281  0.00   -0.0009783    0.0001012   -0.0050729
Si   -0.1229088   15.2060089    7.8084666  0.00   -0.0006283    0.0029584    0.0005158
 N   -2.1767625   16.9634043    4.2039991  0.00    0.0011967   -0.0056226   -0.0038186
 N    1.8228306   17.0721657    4.2289780  0.00   -0.0022031   -0.0111000   -0.0046716
 C   -2.5939725   13.1489551    2.6028445  0.00    0.0000350   -0.0026474    0.0002160
 H   -2.6592279   12.1514454    2.1921132  0.00    0.0039609   -0.0014449    0.0007227
 C   -3.7607699   13.8772267    2.7956908  0.00   -0.0075676    0.0042833   -0.0006244
 C   -3.6663255   15.1693853    3.3268671  0.00    0.0012987    0.0028959    0.0014438
 H   -4.5545455   15.7718737    3.4744756  0.00    0.0003499   -0.0020207   -0.0004644
 C   -2.4361165   15.7063647    3.6641384  0.00   -0.0009784    0.0027465    0.0008099
 C    2.1585756   15.8395374    3.6766774  0.00   -0.0040362    0.0066785    0.0025538
 C    3.4188097   15.3817786    3.3356261  0.00    0.0020738   -0.0019277   -0.0006766
 H    4.2690324   16.0350264    3.4906458  0.00    0.0007523   -0.0013221   -0.0005325
 C    3.5915275   14.0994864    2.7995522  0.00    0.0037768    0.0067094    0.0003969
 C    2.4707743   13.3025311    2.6036945  0.00    0.0057221   -0.0027599    0.0000116
 H    2.5965988   12.3118736    2.1903323  0.00   -0.0034315   -0.0011551    0.0006260
 C   -0.0505439   12.8458790    2.7072219  0.00    0.0025072    0.0053564    0.0006099
 C   -1.3255682   13.6529402    2.9205313  0.00   -0.0086210   -0.0001732    0.0000527
 C   -1.3058089   14.9165266    3.4523619  0.00    0.0003103    0.0079413    0.0045666
 C    1.0770033   14.9862019    3.4567242  0.00    0.0050711    0.0051000    0.0028065
 C    1.1738122   13.7277332    2.9213621  0.00    0.0016976    0.0036992    0.0021766
 C   -0.0156023   11.6832658    3.7126708  0.00    0.0003620    0.0002645    0.0014175
 H   -0.0270004   12.0465908    4.7418900  0.00   -0.0001199    0.0057136    0.0001207
 H    0.8873806   11.0858280    3.5711721  0.00    0.0004982   -0.0003147    0.0019609
 H   -0.8805333   11.0321218    3.5706083  0.00   -0.0009241   -0.0007965    0.0020359
 C   -0.0332196   12.2787073    1.2825645  0.00    0.0003600   -0.0014153   -0.0041919
 H   -0.8911954   11.6271888    1.1153080  0.00   -0.0022743   -0.0020947   -0.0035983
 H    0.8625658   11.6801127    1.1155625  0.00    0.0017798   -0.0015089   -0.0030974
 H   -0.0571844   13.0760936    0.5381516  0.00   -0.0002457    0.0051562   -0.0006986
 C   -5.1405371   13.3222220    2.4398272  0.00    0.0024738    0.0026758    0.0006664
 C   -6.0252250   13.3102221    3.6930239  0.00    0.0054317    0.0007053   -0.0036749
 H   -5.5841169   12.6918329    4.4788386  0.00   -0.0024530    0.0034639   -0.0031374
 H   -7.0105060   12.9021187    3.4533361  0.00    0.0047901    0.0020689   -0.0016099
 H   -6.1753050   14.3141848    4.0963325  0.00    0.0008314   -0.0053448   -0.0028171
 C   -5.7844113   14.2160971    1.3718295  0.00    0.0046210   -0.0027339    0.0037845
 H   -5.9115217   15.2430902    1.7221793  0.00   -0.0000971   -0.0060655   -0.0020350
 H   -6.7731602   13.8326407    1.1067007  0.00    0.0050053    0.0010691    0.0026361
 H   -5.1763106   14.2405920    0.4637926  0.00   -0.0044410    0.0006156    0.0036466
 C   -5.0718607   11.8987282    1.8929222  0.00    0.0009099    0.0036342    0.0009291
 H   -4.4857894   11.8422683    0.9721030  0.00   -0.0008443   -0.0011690    0.0025725
 H   -6.0810297   11.5525517    1.6593089  0.00    0.0054804   -0.0003937    0.0000660
 H   -4.6470796   11.2021491    2.6202638  0.00    0.0001830    0.0012917   -0.0029272
 C    5.0036590   13.6274670    2.4513077  0.00   -0.0027504    0.0008934    0.0002423
 C    5.6139618   14.5741448    1.4096356  0.00   -0.0045797   -0.0033879    0.0040158
 H    6.6232567   14.2452531    1.1488585  0.00   -0.0049544    0.0008194    0.0025458
 H    5.6878359   15.5984029    1.7824369  0.00    0.0002785   -0.0055831   -0.0018564
 H    5.0157031   14.5879812    0.4948617  0.00    0.0040473    0.0004766    0.0038997
 C    5.8696291   13.6391937    3.7177769  0.00   -0.0054006    0.0003885   -0.0040625
 H    5.4535094   12.9793662    4.4832217  0.00    0.0023013    0.0037365   -0.0029185
 H    5.9541539   14.6411546    4.1445519  0.00   -0.0003464   -0.0048082   -0.0027787
 H    6.8804152   13.2939477    3.4854782  0.00   -0.0046611    0.0018071   -0.0017929
 C    5.0198235   12.2131075    1.8772080  0.00   -0.0016752    0.0038022    0.0013064
 H    4.6292784   11.4797488    2.5873417  0.00   -0.0001601    0.0014830   -0.0032320
 H    6.0489035   11.9287751    1.6469926  0.00   -0.0057693   -0.0010543   -0.0001049
 H    4.4451958   12.1416646    0.9501789  0.00    0.0010336   -0.0010595    0.0030856
 C   -3.1775801   17.9779700    4.2638690  0.00    0.0005639   -0.0049403    0.0047645
 C   -3.9557775   18.1560470    5.4324898  0.00   -0.0021682    0.0023681   -0.0045967
 C   -4.9006946   19.1775422    5.4533483  0.00    0.0096040   -0.0012721   -0.0019683
 H   -5.5071019   19.3191952    6.3398127  0.00   -0.0031308   -0.0025260    0.0039220
 C   -5.0920603   20.0052298    4.3648323  0.00   -0.0023418    0.0018959   -0.0007197
 H   -5.8414224   20.7872389    4.4005577  0.00    0.0009031    0.0040733    0.0021898
 C   -4.3282058   19.8301762    3.2260415  0.00    0.0044998    0.0005424    0.0044525
 H   -4.4906791   20.4825097    2.3772822  0.00   -0.0006417    0.0005527   -0.0041844
 C   -3.3663003   18.8296723    3.1456197  0.00    0.0013655   -0.0015589   -0.0012472
 C   -2.6125622   18.6530874    1.8429270  0.00    0.0010347   -0.0010857    0.0019601
 H   -1.7187684   18.0484035    2.0440363  0.00    0.0021003   -0.0021234    0.0018903
 C   -3.4542811   17.8789809    0.8255268  0.00    0.0006157    0.0007690    0.0013850
 H   -3.7341833   16.8929137    1.1968343  0.00    0.0012368    0.0013308    0.0013585
 H   -2.8997557   17.7472595   -0.1066524  0.00    0.0027747   -0.0001950    0.0020457
 H   -4.3699379   18.4301172    0.5951850  0.00    0.0005125   -0.0010986    0.0013323
 C   -2.1631556   19.9808454    1.2396500  0.00   -0.0035526   -0.0000201   -0.0018618
 H   -3.0117406   20.5680280    0.8839828  0.00   -0.0026633   -0.0007023   -0.0016318
 H   -1.5184509   19.8026668    0.3776994  0.00    0.0008610   -0.0001500   -0.0006662
 H   -1.6148844   20.5986313    1.9550159  0.00   -0.0009037    0.0007460   -0.0009187
 C   -3.8473096   17.2526879    6.6408804  0.00    0.0029307   -0.0036490   -0.0010137
 H   -2.9663155   16.6218682    6.5077637  0.00    0.0012593   -0.0009278   -0.0037965
 C   -5.0591672   16.3251892    6.7442646  0.00    0.0008225    0.0001193   -0.0022100
 H   -5.9831752   16.8987475    6.8522561  0.00   -0.0009464    0.0009060   -0.0011669
 H   -4.9673258   15.6758497    7.6184011  0.00    0.0016654    0.0021517   -0.0009589
 H   -5.1542380   15.6877355    5.8643356  0.00    0.0004877    0.0029637    0.0010895
 C   -3.6831241   18.0429788    7.9384127  0.00    0.0000260   -0.0014803    0.0004635
 H   -2.8702694   18.7720138    7.8818843  0.00   -0.0006042   -0.0023938    0.0003059
 H   -3.4739759   17.3661234    8.7700545  0.00    0.0004215   -0.0009431   -0.0001819
 H   -4.5916340   18.5927531    8.1932856  0.00   -0.0033022   -0.0013353    0.0003216
 C    2.7457838   18.1568943    4.2785078  0.00    0.0024005   -0.0008278    0.0067325
 C    2.8934087   18.9884825    3.1406467  0.00   -0.0029276   -0.0045273   -0.0022636
 C    3.7542066   20.0771958    3.2170088  0.00   -0.0020659    0.0044296    0.0026127
 H    3.8816665   20.7168019    2.3517306  0.00    0.0008578   -0.0014465   -0.0032639
 C    4.4616965   20.3545913    4.3716837  0.00    0.0025617    0.0004095   -0.0003230
 H    5.1312498   21.2059413    4.4072266  0.00   -0.0008644    0.0035802    0.0013835
 C    4.3219948   19.5360333    5.4757894  0.00   -0.0074777   -0.0001633    0.0000931
 H    4.8917859   19.7531315    6.3713102  0.00    0.0015910   -0.0015828    0.0028379
 C    3.4789256   18.4289957    5.4585571  0.00   -0.0009360    0.0001352   -0.0074404
 C    3.4372507   17.5315084    6.6753720  0.00   -0.0025556   -0.0041560   -0.0012763
 H    2.6051608   16.8365701    6.5476448  0.00   -0.0022950   -0.0013756   -0.0038063
 C    4.7138333   16.6948193    6.7784884  0.00    0.0005371   -0.0005393   -0.0026453
 H    4.8514982   16.0606245    5.9016749  0.00   -0.0009896    0.0027745   -0.0000149
 H    4.6731897   16.0459954    7.6568808  0.00   -0.0020699    0.0019449   -0.0011984
 H    5.5937572   17.3351876    6.8784470  0.00    0.0022322    0.0020130   -0.0014427
 C    3.2191728   18.3123466    7.9698983  0.00   -0.0001914   -0.0001183    0.0017613
 H    4.0900722   18.9185709    8.2277035  0.00    0.0042656    0.0013324   -0.0000661
 H    3.0508715   17.6248299    8.8018898  0.00    0.0001200   -0.0018503    0.0014612
 H    2.3615737   18.9877929    7.9099532  0.00   -0.0016357   -0.0017784    0.0000185
 C    2.2003670   18.7060199    1.8240786  0.00    0.0000639   -0.0012147    0.0030856
 H    1.4631845   17.9123619    1.9888818  0.00    0.0001301   -0.0022973    0.0013607
 C    1.4684599   19.9318273    1.2862750  0.00    0.0021331    0.0009976   -0.0016373
 H    0.7568130   20.3378729    2.0101411  0.00    0.0000641    0.0009249   -0.0002504
 H    0.9196292   19.6781631    0.3775330  0.00   -0.0012357   -0.0018883   -0.0003345
 H    2.1620450   20.7351217    1.0305731  0.00    0.0021870   -0.0008227   -0.0021782
 C    3.1950846   18.1857108    0.7849650  0.00   -0.0004208   -0.0002585    0.0009374
 H    3.9587547   18.9378692    0.5708454  0.00   -0.0004134   -0.0021868    0.0017416
 H    2.6818197   17.9549833   -0.1514345  0.00   -0.0024343   -0.0000547    0.0010503
 H    3.6963818   17.2799072    1.1281835  0.00   -0.0010097    0.0001495    0.0011283
 C   -0.1863812   16.9661169    7.1227236  0.00    0.0007447   -0.0029839    0.0005483
 H    0.6713804   17.5004457    7.5668385  0.00   -0.0004733   -0.0011675   -0.0006699
 H   -1.0860467   17.4343674    7.5579154  0.00   -0.0000955   -0.0026159   -0.0007719
 C    1.4369080   14.3294423    7.2421559  0.00   -0.0007502   -0.0011469    0.0016682
 H    1.5397802   14.2974746    6.1543556  0.00    0.0001226   -0.0000463    0.0008790
 H    1.4197961   13.2959859    7.6008909  0.00    0.0006022   -0.0003511    0.0011505
 H    2.3376215   14.7947139    7.6498212  0.00   -0.0004748   -0.0002438    0.0015111
 C   -0.1284410   15.2597829    9.6840760  0.00   -0.0002055    0.0023197    0.0007603
 H    0.7329291   15.8100648   10.0719358  0.00    0.0012745    0.0017234   -0.0009324
 H   -0.0917374   14.2506576   10.1041734  0.00    0.0000210   -0.0019621   -0.0018047
 H   -1.0300763   15.7443493   10.0680910  0.00   -0.0013362    0.0016338   -0.0005790
 C   -1.6134460   14.2193583    7.2366410  0.00    0.0007124   -0.0002985    0.0014958
 H   -2.5460562   14.6193349    7.6419629  0.00    0.0004704   -0.0006504    0.0011775
 H   -1.5241703   13.1894333    7.5948428  0.00   -0.0000237    0.0000551    0.0011308
 H   -1.7107066   14.1812004    6.1485090  0.00    0.0000010    0.0001175    0.0010622
129
 Energy =   -2867.2892447820
 O   -0.1328655   15.5627523    3.8323429  0.00   -0.0004580    0.0023052    0.0027019
Th   -0.2006569   17.7691705    4.8724118  0.00   -0.0008973   -0.0008505   -0.0027167
Si   -0.1228934   15.2060808    7.8087055  0.00   -0.0003181    0.0031491    0.0009675
 N   -2.1765880   16.9631518    4.2037326  0.00    0.0000310   -0.0024751   -0.0015369
 N    1.8226098   17.0717864    4.2286722  0.00    0.0006324   -0.0024171   -0.0010594
 C   -2.5941943   13.1488396    2.6027345  0.00   -0.0009710    0.0003482    0.0012479
 H   -2.6595292   12.1513132    2.1921084  0.00    0.0042696   -0.0013404    0.0007213
 C   -3.7610075   13.8773986    2.7954978  0.00   -0.0021796    0.0039769    0.0002837
 C   -3.6664071   15.1695586    3.3266978  0.00    0.0037871   -0.0003450    0.0002508
 H   -4.5545064   15.7720059    3.4741490  0.00   -0.0014034   -0.0003472    0.0001353
 C   -2.4360372   15.7062947    3.6639775  0.00   -0.0034899    0.0021238    0.0003638
 C    2.1585707   15.8395629    3.6765294  0.00   -0.0034729    0.0030835    0.0014220
 C    3.4188113   15.3818754    3.3355195  0.00    0.0048577   -0.0007590   -0.0009389
 H    4.2690977   16.0351580    3.4905042  0.00   -0.0002436   -0.0016266   -0.0004968
 C    3.5917662   14.0997154    2.7993976  0.00   -0.0012624    0.0039481    0.0005755
 C    2.4711097   13.3024551    2.6035529  0.00    0.0021651    0.0016795    0.0021036
 H    2.5969660   12.3118347    2.1903374  0.00   -0.0035157   -0.0020405    0.0001544
 C   -0.0504397   12.8459121    2.7071768  0.00   -0.0003299    0.0048571   -0.0001510
 C   -1.3258525   13.6528441    2.9204563  0.00   -0.0031473    0.0007825    0.0002855
 C   -1.3057896   14.9165328    3.4522482  0.00   -0.0012120    0.0047406    0.0033645
 C    1.0770874   14.9862346    3.4566070  0.00    0.0032772    0.0018859    0.0017449
 C    1.1739918   13.7276816    2.9212752  0.00    0.0027721    0.0047731    0.0019988
 C   -0.0155504   11.6835857    3.7128807  0.00   -0.0003091    0.0013141    0.0011714
 H   -0.0269741   12.0478849    4.7417508  0.00   -0.0000483    0.0043404    0.0007401
 H    0.8874974   11.0862188    3.5716884  0.00    0.0004917   -0.0008861    0.0021734
 H   -0.8806349   11.0325138    3.5711454  0.00   -0.0000806   -0.0007068    0.0022588
 C   -0.0331780   12.2789582    1.2823881  0.00   -0.0004821    0.0006984   -0.0032207
 H   -0.8913097   11.6276421    1.1148622  0.00   -0.0013638   -0.0018021   -0.0035436
 H    0.8626866   11.6806051    1.1151705  0.00    0.0018838   -0.0019767   -0.0035102
 H   -0.0571837   13.0770706    0.5386869  0.00   -0.0001255    0.0035955   -0.0013669
 C   -5.1404680   13.3223114    2.4396702  0.00    0.0046470    0.0014297    0.0004211
 C   -6.0249450   13.3099404    3.6927304  0.00    0.0024148    0.0002258   -0.0038587
 H   -5.5839961   12.6913596    4.4782959  0.00   -0.0013553    0.0020095   -0.0018506
 H   -7.0101814   12.9019031    3.4527800  0.00    0.0044021    0.0020147   -0.0011825
 H   -6.1750846   14.3135688    4.0965265  0.00    0.0005389   -0.0032628   -0.0026307
 C   -5.7842588   14.2157576    1.3716238  0.00    0.0018034   -0.0024199    0.0033464
 H   -5.9113555   15.2428325    1.7214015  0.00   -0.0004935   -0.0045155   -0.0008423
 H   -6.7729929   13.8321233    1.1068404  0.00    0.0043208    0.0012258    0.0020535
 H   -5.1764395   14.2400545    0.4635743  0.00   -0.0029047    0.0001641    0.0017122
 C   -5.0710274   11.8989038    1.8929000  0.00    0.0005363    0.0030996    0.0012155
 H   -4.4846417   11.8427310    0.9723598  0.00   -0.0006817   -0.0013108    0.0012183
 H   -6.0798723   11.5520978    1.6591532  0.00    0.0044780   -0.0007800   -0.0002310
 H   -4.6458667   11.2027860    2.6203782  0.00   -0.0000000    0.0004178   -0.0023621
 C    5.0035590   13.6274719    2.4511597  0.00   -0.0041930    0.0009056    0.0003353
 C    5.6138511   14.5736960    1.4094162  0.00   -0.0019195   -0.0025561    0.0036259
 H    6.6231490   14.2446106    1.1490115  0.00   -0.0043933    0.0010477    0.0020168
 H    5.6876990   15.5980869    1.7816314  0.00    0.0005563   -0.0045137   -0.0008059
 H    5.0158946   14.5873115    0.4946086  0.00    0.0026734    0.0000396    0.0020374
 C    5.8694268   13.6388472    3.7174389  0.00   -0.0025034    0.0003954   -0.0040118
 H    5.4535099   12.9788630    4.4826712  0.00    0.0013361    0.0022147   -0.0016859
 H    5.9540644   14.6405007    4.1446878  0.00   -0.0002276   -0.0031836   -0.0027695
 H    6.8801510   13.2936558    3.4848096  0.00   -0.0043409    0.0017827   -0.0013123
 C    5.0189016   12.2132089    1.8772153  0.00   -0.0006670    0.0027510    0.0012670
 H    4.6279337   11.4803112    2.5874743  0.00   -0.0000994    0.0003477   -0.0025018
 H    6.0476977   11.9281426    1.6468405  0.00   -0.0051304   -0.0011430   -0.0002641
 H    4.4439760   12.1420688    0.9504638  0.00    0.0006748   -0.0012789    0.0015166
 C   -3.1773104   17.9778081    4.2640773  0.00    0.0025271   -0.0043694   -0.0035542
 C   -3.9554760   18.1559364    5.4324446  0.00   -0.0012286   -0.0012033    0.0019701
 C   -4.8995832   19.1780133    5.4538012  0.00    0.0045323    0.0006350    0.0003829
 H   -5.5058138   19.3201008    6.3406395  0.00   -0.0005384   -0.0034669    0.0001857
 C   -5.0906567   20.0059923    4.3654156  0.00   -0.0019753    0.0040092    0.0024437
 H   -5.8387460   20.7892419    4.4018107  0.00    0.0004539    0.0026269    0.0016980
 C   -4.3270244   19.8307875    3.2266249  0.00    0.0059613    0.0006328   -0.0018846
 H   -4.4890416   20.4835870    2.3779059  0.00   -0.0005911   -0.0011377   -0.0015854
 C   -3.3657022   18.8296637    3.1456393  0.00    0.0002023   -0.0016183    0.0028504
 C   -2.6118755   18.6530079    1.8429788  0.00    0.0004897    0.0001393    0.0007335
 H   -1.7178141   18.0487805    2.0442024  0.00    0.0022535   -0.0025449    0.0020941
 C   -3.4530333   17.8785809    0.8252893  0.00    0.0015772    0.0004958    0.0007697
 H   -3.7326142   16.8922698    1.1961648  0.00    0.0006899    0.0016205    0.0020987
 H   -2.8982558   17.7470770   -0.1068298  0.00    0.0030022    0.0003176    0.0028844
 H   -4.3686363   18.4295657    0.5945658  0.00   -0.0004251   -0.0012281    0.0016596
 C   -2.1629078   19.9809283    1.2395842  0.00   -0.0011347   -0.0008138   -0.0009826
 H   -3.0115040   20.5677325    0.8836421  0.00   -0.0042177   -0.0000209   -0.0019448
 H   -1.5179135   19.8029841    0.3777106  0.00    0.0004137   -0.0000752    0.0006397
 H   -1.6151448   20.5989246    1.9552649  0.00   -0.0010751    0.0004419   -0.0022031
 C   -3.8470665   17.2521491    6.6408712  0.00    0.0024236   -0.0015373   -0.0024167
 H   -2.9660165   16.6214931    6.5076176  0.00    0.0014353   -0.0013336   -0.0040587
 C   -5.0588301   16.3245574    6.7444196  0.00    0.0002215    0.0013552   -0.0001261
 H   -5.9829503   16.8980261    6.8525135  0.00   -0.0002152    0.0005528   -0.0018585
 H   -4.9669617   15.6754657    7.6187773  0.00    0.0020326    0.0024624   -0.0012221
 H   -5.1538339   15.6867331    5.8648785  0.00    0.0001668    0.0025213   -0.0005967
 C   -3.6826527   18.0424395    7.9383947  0.00   -0.0013126   -0.0010468   -0.0000771
 H   -2.8699578   18.7715823    7.8812816  0.00   -0.0003286   -0.0023605    0.0012350
 H   -3.4733336   17.3657172    8.7701058  0.00    0.0009073   -0.0008971   -0.0004932
 H   -4.5911867   18.5921742    8.1934767  0.00   -0.0027011   -0.0016581    0.0000557
 C    2.7455439   18.1568433    4.2786773  0.00   -0.0019094   -0.0040786   -0.0018721
 C    2.8928672   18.9883307    3.1405575  0.00   -0.0000690   -0.0006519    0.0006001
 C    3.7531328   20.0776846    3.2172281  0.00   -0.0025569   -0.0005552    0.0064563
 H    3.8802306   20.7174981    2.3522134  0.00    0.0013831   -0.0001434   -0.0048354
 C    4.4603806   20.3551798    4.3722444  0.00   -0.0021901    0.0013718   -0.0037145
 H    5.1284718   21.2075740    4.4082456  0.00    0.0009859    0.0034914    0.0014081
 C    4.3207354   19.5365243    5.4762408  0.00   -0.0027217    0.0020678    0.0017828
 H    4.8902068   19.7541584    6.3720864  0.00   -0.0004684   -0.0029505   -0.0000097
 C    3.4785262   18.4289858    5.4584426  0.00   -0.0015192   -0.0038431    0.0007752
 C    3.4368918   17.5310584    6.6753224  0.00   -0.0013559   -0.0008223   -0.0019261
 H    2.6047184   16.8363340    6.5475395  0.00   -0.0026060   -0.0022359   -0.0041810
 C    4.7134936   16.6943695    6.7786395  0.00    0.0004617    0.0009583   -0.0008030
 H    4.8511307   16.0597997    5.9022233  0.00   -0.0006231    0.0021632   -0.0016096
 H    4.6729095   16.0458889    7.6573229  0.00   -0.0024779    0.0020980   -0.0015383
 H    5.5934724   17.3347489    6.8785823  0.00    0.0015690    0.0017070   -0.0020560
 C    3.2186371   18.3119914    7.9698597  0.00    0.0006628   -0.0006496    0.0010924
 H    4.0894704   18.9183864    8.2276506  0.00    0.0036817    0.0010773   -0.0002828
 H    3.0504780   17.6245546    8.8020198  0.00   -0.0002822   -0.0012309    0.0005245
 H    2.3609628   18.9873034    7.9094071  0.00   -0.0015489   -0.0018784    0.0010457
 C    2.1997462   18.7058025    1.8240737  0.00   -0.0000994   -0.0002234    0.0010480
 H    1.4622197   17.9125252    1.9889855  0.00   -0.0001041   -0.0028396    0.0016272
 C    1.4681905   19.9318401    1.2860216  0.00    0.0001793   -0.0008404   -0.0004672
 H    0.7570400   20.3383583    2.0102058  0.00    0.0003120    0.0007241   -0.0012963
 H    0.9188895   19.6781208    0.3775000  0.00   -0.0007465   -0.0017812    0.0008236
 H    2.1618546   20.7347519    1.0298305  0.00    0.0036564    0.0003007   -0.0025205
 C    3.1940231   18.1850097    0.7846870  0.00   -0.0017604   -0.0009455    0.0006176
 H    3.9578179   18.9369313    0.5704901  0.00    0.0007823   -0.0020837    0.0017214
 H    2.6805323   17.9545759   -0.1517214  0.00   -0.0027368    0.0006853    0.0018434
 H    3.6947711   17.2787214    1.1273916  0.00   -0.0002998    0.0006652    0.0020210
 C   -0.1863643   16.9656992    7.1217016  0.00    0.0003378   -0.0020328    0.0012377
 H    0.6711689   17.5003037    7.5659360  0.00   -0.0002683   -0.0009714   -0.0008059
 H   -1.0861212   17.4338963    7.5568467  0.00    0.0000536   -0.0024707   -0.0010991
 C    1.4370141   14.3294774    7.2427423  0.00   -0.0008270   -0.0006921    0.0015416
 H    1.5396376   14.2980034    6.1549199  0.00    0.0006314   -0.0003904    0.0005064
 H    1.4203596   13.2959189    7.6011164  0.00    0.0001857   -0.0005237    0.0013735
 H    2.3376180   14.7949692    7.6504104  0.00   -0.0005167   -0.0002609    0.0013917
 C   -0.1285199   15.2607038    9.6843436  0.00   -0.0001632    0.0005168    0.0013736
 H    0.7328655   15.8108093   10.0723644  0.00    0.0013993    0.0022898   -0.0012413
 H   -0.0918573   14.2515950   10.1046755  0.00    0.0000174   -0.0013232   -0.0024728
 H   -1.0301830   15.7451151   10.0684370  0.00   -0.0014780    0.0022004   -0.0008844
 C   -1.6135361   14.2195511    7.2371643  0.00    0.0007027   -0.0002420    0.0014209
 H   -2.5460436   14.6197398    7.6424949  0.00    0.0004019   -0.0006157    0.0011523
 H   -1.5246501   13.1895084    7.5950397  0.00    0.0002233   -0.0001697    0.0012550
 H   -1.7105965   14.1818851    6.1490215  0.00   -0.0004561   -0.0003002    0.0005782
129
 Energy =   -2867.2892572180
 O   -0.1329022   15.5626874    3.8320511  0.00    0.0018759    0.0002932    0.0007139
Th   -0.2007249   17.7696018    4.8704083  0.00   -0.0003983   -0.0015497    0.0029053
Si   -0.1228679   15.2064109    7.8093152  0.00    0.0002403    0.0016300    0.0016182
 N   -2.1761800   16.9625249    4.2032048  0.00   -0.0017123    0.0029849    0.0012852
 N    1.8222226   17.0712335    4.2282012  0.00    0.0019508    0.0004874    0.0000907
 C   -2.5946971   13.1486203    2.6025762  0.00    0.0028555    0.0017823    0.0014991
 H   -2.6601852   12.1508843    2.1921033  0.00    0.0048164    0.0018699    0.0018939
 C   -3.7612616   13.8778463    2.7951349  0.00    0.0056063    0.0004402    0.0009779
 C   -3.6663620   15.1697712    3.3263085  0.00    0.0029210    0.0001770   -0.0000536
 H   -4.5543973   15.7722757    3.4734278  0.00   -0.0021461    0.0008153    0.0007645
 C   -2.4358956   15.7061799    3.6637010  0.00   -0.0058236   -0.0014368   -0.0009532
 C    2.1585280   15.8394454    3.6762067  0.00   -0.0027681    0.0017025    0.0016134
 C    3.4188786   15.3820491    3.3352605  0.00    0.0051579    0.0022876   -0.0004910
 H    4.2690921   16.0353547    3.4901608  0.00    0.0003738   -0.0005763   -0.0001081
 C    3.5920179   14.1002909    2.7991230  0.00   -0.0086750   -0.0040048   -0.0000357
 C    2.4715826   13.3023645    2.6033909  0.00    0.0020853    0.0035357    0.0021211
 H    2.5978044   12.3115551    2.1903240  0.00   -0.0049021    0.0014183    0.0014576
 C   -0.0503573   12.8461103    2.7069815  0.00   -0.0007762    0.0018603   -0.0010507
 C   -1.3263160   13.6525939    2.9202483  0.00    0.0025628    0.0057170    0.0018092
 C   -1.3058845   14.9165175    3.4520855  0.00    0.0003206   -0.0040377   -0.0001543
 C    1.0772747   14.9861879    3.4563763  0.00    0.0008510   -0.0007888    0.0007023
 C    1.1745789   13.7276498    2.9210553  0.00   -0.0057333    0.0036805    0.0017827
 C   -0.0154857   11.6843993    3.7134186  0.00   -0.0000124    0.0032417    0.0006490
 H   -0.0269243   12.0509532    4.7415429  0.00    0.0000091    0.0010980    0.0010933
 H    0.8877700   11.0870132    3.5730666  0.00   -0.0010058   -0.0005579    0.0024594
 H   -0.8808177   11.0333584    3.5725662  0.00    0.0012924   -0.0003504    0.0025451
 C   -0.0331518   12.2796757    1.2818502  0.00    0.0001259    0.0015750   -0.0012996
 H   -0.8915978   11.6286495    1.1136491  0.00    0.0014793   -0.0000895   -0.0031954
 H    0.8630602   11.6816510    1.1140421  0.00   -0.0013193   -0.0003674   -0.0034081
 H   -0.0571818   13.0793811    0.5397438  0.00   -0.0000384    0.0003152   -0.0030389
 C   -5.1399214   13.3225396    2.4393565  0.00    0.0027161   -0.0005998   -0.0000754
 C   -6.0243830   13.3093368    3.6919085  0.00    0.0021627    0.0003663   -0.0005916
 H   -5.5837527   12.6903643    4.4770970  0.00    0.0001932   -0.0002330   -0.0000819
 H   -7.0093011   12.9015434    3.4515513  0.00    0.0000627    0.0002188   -0.0020156
 H   -6.1746313   14.3122532    4.0967782  0.00   -0.0000289    0.0011418   -0.0022317
 C   -5.7839758   14.2149551    1.3713140  0.00    0.0016343   -0.0001226    0.0005112
 H   -5.9110927   15.2421757    1.7197990  0.00   -0.0011882   -0.0004538    0.0020635
 H   -6.7724615   13.8310770    1.1072359  0.00   -0.0003665   -0.0004049    0.0005980
 H   -5.1768020   14.2389081    0.4630672  0.00   -0.0005071   -0.0006448   -0.0010436
 C   -5.0691910   11.8994341    1.8929342  0.00    0.0031968   -0.0002096    0.0000606
 H   -4.4821370   11.8437304    0.9729118  0.00   -0.0006530   -0.0015069   -0.0008614
 H   -6.0771724   11.5510954    1.6588145  0.00    0.0008186   -0.0010701   -0.0007137
 H   -4.6432110   11.2041967    2.6206055  0.00   -0.0002705   -0.0014167   -0.0009983
 C    5.0029823   13.6275188    2.4508701  0.00   -0.0020510    0.0007973    0.0003740
 C    5.6136374   14.5726812    1.4091015  0.00   -0.0016150   -0.0002607    0.0003344
 H    6.6227281   14.2432904    1.1494456  0.00   -0.0000684   -0.0001161    0.0007132
 H    5.6874808   15.5972790    1.7799798  0.00    0.0010139   -0.0006988    0.0020640
 H    5.0163802   14.5858857    0.4940531  0.00    0.0005048   -0.0006825   -0.0005874
 C    5.8690140   13.6381441    3.7165316  0.00   -0.0019072    0.0000085   -0.0005476
 H    5.4535354   12.9778176    4.4814718  0.00   -0.0000134   -0.0000065   -0.0000850
 H    5.9538877   14.6390911    4.1447961  0.00    0.0000430    0.0010671   -0.0023761
 H    6.8793965   13.2931286    3.4833408  0.00   -0.0004057    0.0004749   -0.0018737
 C    5.0169070   12.2135424    1.8773026  0.00   -0.0039577   -0.0008951    0.0000274
 H    4.6249700   11.4815343    2.5877417  0.00    0.0001672   -0.0017878   -0.0010018
 H    6.0448366   11.9267624    1.6465205  0.00   -0.0006444   -0.0012990   -0.0008457
 H    4.4412902   12.1429351    0.9510799  0.00    0.0004785   -0.0016072   -0.0008351
 C   -3.1765157   17.9772216    4.2640837  0.00   -0.0016094   -0.0024761   -0.0023030
 C   -3.9547454   18.1554091    5.4326603  0.00    0.0034421   -0.0028892    0.0007544
 C   -4.8971212   19.1789650    5.4549419  0.00   -0.0002101    0.0035150   -0.0027442
 H   -5.5028740   19.3218456    6.3421512  0.00    0.0010306   -0.0042244   -0.0016422
 C   -5.0875154   20.0078348    4.3667903  0.00    0.0072889    0.0002447    0.0029562
 H   -5.8330264   20.7933301    4.4044374  0.00   -0.0021702    0.0023250    0.0009203
 C   -4.3241289   19.8319897    3.2275996  0.00   -0.0003554    0.0025103    0.0011895
 H   -4.4855282   20.4856863    2.3793362  0.00    0.0001385   -0.0023751   -0.0004244
 C   -3.3643344   18.8294830    3.1459070  0.00    0.0018866   -0.0000866    0.0001193
 C   -2.6102344   18.6529099    1.8430602  0.00    0.0018889   -0.0007965    0.0012417
 H   -1.7153815   18.0495616    2.0446135  0.00   -0.0003529   -0.0013813    0.0015974
 C   -3.4501924   17.8777668    0.8248575  0.00    0.0004385    0.0009098    0.0013961
 H   -3.7293457   16.8910881    1.1949964  0.00    0.0001034    0.0018143    0.0034620
 H   -2.8950718   17.7466503   -0.1070737  0.00    0.0043244    0.0011488    0.0028512
 H   -4.3658393   18.4284843    0.5935853  0.00   -0.0008718   -0.0020805    0.0020691
 C   -2.1622889   19.9810862    1.2394157  0.00   -0.0023890    0.0012357   -0.0000769
 H   -3.0113344   20.5671055    0.8828163  0.00   -0.0026921   -0.0015605   -0.0010336
 H   -1.5167026   19.8037903    0.3778364  0.00    0.0004367   -0.0004344    0.0014802
 H   -1.6157448   20.5996770    1.9555988  0.00   -0.0009090    0.0005431   -0.0037046
 C   -3.8463148   17.2509612    6.6407618  0.00   -0.0002222    0.0009648   -0.0005203
 H   -2.9651441   16.6205924    6.5073093  0.00    0.0012709   -0.0019819   -0.0043312
 C   -5.0580786   16.3233558    6.7448263  0.00    0.0006458    0.0016920   -0.0010191
 H   -5.9822806   16.8967041    6.8528609  0.00   -0.0000465    0.0009372   -0.0025737
 H   -4.9662444   15.6747125    7.6194481  0.00    0.0028557    0.0022601   -0.0001362
 H   -5.1530226   15.6848039    5.8658657  0.00   -0.0002732    0.0027012   -0.0018791
 C   -3.6817490   18.0413021    7.9383706  0.00   -0.0015546   -0.0011063   -0.0009782
 H   -2.8693262   18.7706332    7.8801807  0.00   -0.0002111   -0.0019195    0.0029496
 H   -3.4718221   17.3648623    8.7702167  0.00    0.0012292   -0.0006318   -0.0015439
 H   -4.5903770   18.5908427    8.1938736  0.00   -0.0015965   -0.0023595   -0.0005838
 C    2.7447104   18.1563006    4.2785321  0.00    0.0032283   -0.0012602    0.0001818
 C    2.8917737   18.9880516    3.1405186  0.00   -0.0037599   -0.0026201    0.0010535
 C    3.7506441   20.0783372    3.2181857  0.00   -0.0018911    0.0047562   -0.0088019
 H    3.8772680   20.7189704    2.3530585  0.00    0.0003316   -0.0051272    0.0021270
 C    4.4571067   20.3564150    4.3732024  0.00   -0.0004970    0.0069337    0.0052746
 H    5.1227054   21.2109811    4.4104377  0.00    0.0002765   -0.0006471   -0.0000645
 C    4.3180185   19.5376336    5.4772875  0.00   -0.0027431   -0.0028158    0.0006539
 H    4.8866284   19.7561569    6.3736060  0.00   -0.0015545   -0.0035374   -0.0020075
 C    3.4775542   18.4285181    5.4586549  0.00   -0.0027304    0.0000692   -0.0021247
 C    3.4359897   17.5301392    6.6751726  0.00   -0.0014075   -0.0005272    0.0016907
 H    2.6034733   16.8356432    6.5473080  0.00   -0.0000018   -0.0016136   -0.0041156
 C    4.7127246   16.6935374    6.7789824  0.00    0.0003615    0.0026868   -0.0012777
 H    4.8503508   16.0582384    5.9031534  0.00   -0.0001914    0.0021949   -0.0026551
 H    4.6723819   16.0456856    7.6580851  0.00   -0.0032888    0.0018093   -0.0008588
 H    5.5927116   17.3340977    6.8786446  0.00    0.0003771    0.0010793   -0.0028502
 C    3.2175348   18.3112315    7.9698042  0.00    0.0020360    0.0004749   -0.0001914
 H    4.0883771   18.9180642    8.2274619  0.00    0.0005734   -0.0008731   -0.0009907
 H    3.0495016   17.6240477    8.8023116  0.00   -0.0006366   -0.0003639   -0.0010869
 H    2.3596183   18.9862799    7.9083378  0.00   -0.0002291   -0.0024016    0.0031001
 C    2.1982434   18.7053635    1.8239962  0.00   -0.0004388    0.0001758    0.0005911
 H    1.4598663   17.9127799    1.9892742  0.00    0.0014013   -0.0018302    0.0020394
 C    1.4674746   19.9317813    1.2854656  0.00    0.0017086    0.0010845    0.0007101
 H    0.7574897   20.3395206    2.0101948  0.00    0.0003421    0.0006046   -0.0025619
 H    0.9171981   19.6780286    0.3775219  0.00   -0.0005667   -0.0019776    0.0015695
 H    2.1617184   20.7340245    1.0280570  0.00    0.0023406   -0.0019351   -0.0018245
 C    3.1915474   18.1834404    0.7841764  0.00   -0.0005725    0.0004652    0.0012218
 H    3.9558181   18.9349430    0.5700500  0.00    0.0013944   -0.0032438    0.0016354
 H    2.6778209   17.9537660   -0.1522542  0.00   -0.0041772    0.0014425    0.0017896
 H    3.6914043   17.2763597    1.1259837  0.00    0.0004027    0.0010820    0.0035947
 C   -0.1863301   16.9647051    7.1194755  0.00    0.0001141   -0.0000188    0.0013285
 H    0.6707612   17.4999492    7.5636912  0.00    0.0004008    0.0000322   -0.0005391
 H   -1.0862995   17.4327584    7.5542438  0.00   -0.0006470   -0.0011664   -0.0008858
 C    1.4371747   14.3295651    7.2440707  0.00   -0.0007882   -0.0002641    0.0009972
 H    1.5393157   14.2991327    6.1561632  0.00    0.0015570   -0.0010842    0.0004660
 H    1.4215292   13.2957378    7.6016902  0.00   -0.0008383   -0.0000319    0.0015861
 H    2.3375569   14.7955121    7.6517379  0.00   -0.0005021   -0.0003405    0.0011275
 C   -0.1287026   15.2627242    9.6850178  0.00    0.0000606   -0.0003798    0.0016091
 H    0.7327964   15.8125567   10.0732976  0.00    0.0005570    0.0024010   -0.0020367
 H   -0.0921085   14.2535535   10.1053265  0.00    0.0000282   -0.0010195   -0.0023572
 H   -1.0304793   15.7469054   10.0692283  0.00   -0.0007900    0.0024833   -0.0016375
 C   -1.6136954   14.2199972    7.2383407  0.00    0.0008965   -0.0005598    0.0010189
 H   -2.5460100   14.6205662    7.6436736  0.00    0.0000498   -0.0005094    0.0011899
 H   -1.5255813   13.1896750    7.5955522  0.00    0.0007221    0.0000212    0.0012832
 H   -1.7103556   14.1833416    6.1501403  0.00   -0.0012629   -0.0011545    0.0002246
129
 Energy =   -2867.2892613420
 O   -0.1328529   15.5624679    3.8319732  0.00    0.0010084    0.0002113    0.0001892
Th   -0.2007455   17.7695102    4.8698057  0.00   -0.0000397   -0.0017706    0.0043736
Si   -0.1228731   15.2067799    7.8095591  0.00    0.0003103   -0.0000654    0.0015404
 N   -2.1761012   16.9622295    4.2030080  0.00   -0.0014484    0.0006908    0.0010097
 N    1.8221637   17.0708435    4.2279658  0.00    0.0011957    0.0049249    0.0023835
 C   -2.5946271   13.1484647    2.6025322  0.00    0.0007687    0.0017744    0.0004227
 H   -2.6602038   12.1507103    2.1920969  0.00    0.0051420    0.0021117    0.0019420
 C   -3.7611372   13.8777845    2.7949743  0.00    0.0064116   -0.0003288    0.0013693
 C   -3.6662317   15.1696975    3.3261370  0.00   -0.0039950   -0.0017669   -0.0016870
 H   -4.5544089   15.7721368    3.4731653  0.00   -0.0010379    0.0004377    0.0007136
 C   -2.4360233   15.7059089    3.6634994  0.00    0.0031152    0.0011976    0.0016983
 C    2.1584585   15.8393350    3.6760916  0.00    0.0049434   -0.0033096   -0.0008516
 C    3.4190238   15.3819255    3.3350657  0.00   -0.0030903    0.0039996    0.0011508
 H    4.2691559   16.0351605    3.4899674  0.00    0.0017773    0.0003991    0.0000239
 C    3.5918334   14.1001985    2.7989814  0.00   -0.0023993   -0.0030581    0.0001944
 C    2.4717051   13.3022477    2.6033427  0.00   -0.0059415    0.0022565    0.0016124
 H    2.5978961   12.3114089    2.1902943  0.00   -0.0050322    0.0018107    0.0015880
 C   -0.0503336   12.8460473    2.7067810  0.00   -0.0017159    0.0003250   -0.0007947
 C   -1.3263563   13.6524708    2.9201211  0.00    0.0058970    0.0044288    0.0020774
 C   -1.3058643   14.9162863    3.4520212  0.00   -0.0011637   -0.0024170   -0.0007639
 C    1.0773630   14.9859675    3.4562789  0.00   -0.0025174    0.0018165    0.0013721
 C    1.1745213   13.7275842    2.9209543  0.00   -0.0009840   -0.0003827   -0.0000921
 C   -0.0154591   11.6845027    3.7134777  0.00    0.0001030    0.0030268    0.0004373
 H   -0.0269013   12.0516914    4.7413910  0.00    0.0000290    0.0002047    0.0012233
 H    0.8878455   11.0870048    3.5734318  0.00   -0.0017506    0.0001336    0.0023677
 H   -0.8808435   11.0333744    3.5729451  0.00    0.0018994    0.0002698    0.0024446
 C   -0.0331357   12.2796515    1.2815299  0.00    0.0003311    0.0021595   -0.0008664
 H   -0.8916203   11.6286311    1.1131001  0.00    0.0021421    0.0006701   -0.0027519
 H    0.8631252   11.6816291    1.1135092  0.00   -0.0021337    0.0004345   -0.0030153
 H   -0.0571777   13.0797578    0.5397935  0.00    0.0000195   -0.0008576   -0.0032546
 C   -5.1396358   13.3224319    2.4391876  0.00    0.0021510   -0.0011964   -0.0002929
 C   -6.0241550   13.3090574    3.6915451  0.00    0.0010964    0.0002996    0.0000705
 H   -5.5836517   12.6900374    4.4766711  0.00    0.0005982   -0.0012317    0.0006512
 H   -7.0090622   12.9013406    3.4509351  0.00    0.0002506    0.0002948   -0.0015999
 H   -6.1743668   14.3118044    4.0967154  0.00   -0.0003540    0.0021767   -0.0023579
 C   -5.7838660   14.2145687    1.3712053  0.00    0.0008013    0.0005183   -0.0003132
 H   -5.9109527   15.2418439    1.7193715  0.00   -0.0014791    0.0003342    0.0028232
 H   -6.7723761   13.8305682    1.1073880  0.00   -0.0003516   -0.0002825    0.0004487
 H   -5.1769387   14.2384952    0.4628828  0.00    0.0002833   -0.0009300   -0.0021016
 C   -5.0686842   11.8994027    1.8928406  0.00    0.0019504   -0.0010584   -0.0003945
 H   -4.4815403   11.8437485    0.9729589  0.00   -0.0002202   -0.0015214   -0.0020742
 H   -6.0765855   11.5507416    1.6586414  0.00    0.0014343   -0.0006213   -0.0004489
 H   -4.6425368   11.2043718    2.6205008  0.00   -0.0001215   -0.0024061   -0.0001128
 C    5.0027277   13.6273676    2.4507105  0.00   -0.0023319   -0.0004571    0.0000383
 C    5.6135648   14.5722142    1.4089808  0.00   -0.0008915    0.0004145   -0.0003203
 H    6.6226805   14.2426998    1.1496038  0.00    0.0000441   -0.0000299    0.0005063
 H    5.6873606   15.5968681    1.7795305  0.00    0.0012903    0.0002321    0.0028229
 H    5.0165599   14.5853674    0.4938696  0.00   -0.0003377   -0.0009240   -0.0018364
 C    5.8688553   13.6378145    3.7161406  0.00   -0.0010282    0.0001498    0.0000878
 H    5.4535292   12.9774734    4.4810424  0.00   -0.0004076   -0.0011183    0.0006787
 H    5.9537213   14.6385909    4.1446724  0.00    0.0003406    0.0021353   -0.0024185
 H    6.8792027   13.2928744    3.4826514  0.00   -0.0004334    0.0004668   -0.0014320
 C    5.0163556   12.2134249    1.8772214  0.00   -0.0021458   -0.0013056   -0.0003635
 H    4.6242289   11.4816253    2.5876445  0.00   -0.0000020   -0.0028612   -0.0000491
 H    6.0442187   11.9262836    1.6463454  0.00   -0.0013513   -0.0008798   -0.0005628
 H    4.4406605   12.1428963    0.9511399  0.00   -0.0000683   -0.0016694   -0.0021720
 C   -3.1762347   17.9768412    4.2640737  0.00   -0.0006291    0.0020987   -0.0046485
 C   -3.9542220   18.1552314    5.4327133  0.00    0.0025202   -0.0014102    0.0016369
 C   -4.8959690   19.1794289    5.4552734  0.00   -0.0002480    0.0006994    0.0005925
 H   -5.5016542   19.3222686    6.3426600  0.00    0.0019468   -0.0039325   -0.0032290
 C   -5.0858228   20.0086347    4.3674002  0.00   -0.0002425    0.0048749    0.0046175
 H   -5.8310003   20.7948144    4.4054056  0.00    0.0009400   -0.0013316    0.0005131
 C   -4.3229031   19.8325939    3.2281659  0.00    0.0036124    0.0008025   -0.0052403
 H   -4.4840656   20.4864222    2.3798403  0.00    0.0001430   -0.0029876    0.0012850
 C   -3.3636032   18.8294988    3.1459843  0.00   -0.0001402    0.0005743    0.0035258
 C   -2.6093734   18.6529796    1.8432410  0.00    0.0010537    0.0003463    0.0002455
 H   -1.7143530   18.0498683    2.0448859  0.00   -0.0006405   -0.0010878    0.0013758
 C   -3.4490044   17.8776896    0.8249005  0.00    0.0006574    0.0003101    0.0014017
 H   -3.7280203   16.8909098    1.1948591  0.00    0.0001335    0.0017851    0.0035953
 H   -2.8936569   17.7468093   -0.1069341  0.00    0.0040543    0.0010539    0.0028593
 H   -4.3647312   18.4281963    0.5935406  0.00   -0.0010631   -0.0017921    0.0019982
 C   -2.1619519   19.9813485    1.2394716  0.00   -0.0014216   -0.0000693   -0.0002829
 H   -3.0111909   20.5669558    0.8826006  0.00   -0.0023152   -0.0017360   -0.0007604
 H   -1.5160156   19.8042130    0.3780837  0.00   -0.0002691   -0.0003958    0.0017246
 H   -1.6157517   20.6001115    1.9557018  0.00   -0.0007468    0.0011906   -0.0034237
 C   -3.8458381   17.2506935    6.6407670  0.00    0.0000825    0.0009781   -0.0011186
 H   -2.9646174   16.6203270    6.5070730  0.00    0.0002961   -0.0014874   -0.0035860
 C   -5.0575912   16.3231686    6.7449284  0.00    0.0004012    0.0013002   -0.0008479
 H   -5.9818200   16.8964916    6.8528383  0.00   -0.0000255    0.0011569   -0.0025135
 H   -4.9657263   15.6747632    7.6197188  0.00    0.0027131    0.0020004   -0.0002221
 H   -5.1525539   15.6844245    5.8661400  0.00   -0.0002431    0.0024508   -0.0022933
 C   -3.6813350   18.0410175    7.9383784  0.00   -0.0006200   -0.0011711   -0.0007850
 H   -2.8689777   18.7703984    7.8799976  0.00   -0.0004756   -0.0014475    0.0031994
 H   -3.4710031   17.3646950    8.7702344  0.00    0.0007832   -0.0008164   -0.0017932
 H   -4.5900886   18.5903273    8.1940284  0.00   -0.0010489   -0.0023742   -0.0007333
 C    2.7445161   18.1560308    4.2785323  0.00   -0.0014415   -0.0013062   -0.0040646
 C    2.8910121   18.9878863    3.1405553  0.00    0.0012173    0.0040666    0.0013617
 C    3.7494023   20.0788981    3.2182763  0.00   -0.0014808   -0.0024250    0.0036746
 H    3.8758907   20.7194125    2.3534997  0.00    0.0008667   -0.0013303   -0.0028122
 C    4.4556182   20.3572598    4.3738174  0.00   -0.0065813    0.0001362   -0.0013906
 H    5.1205321   21.2121435    4.4112007  0.00    0.0024382    0.0013571    0.0004506
 C    4.3166816   19.5379191    5.4776529  0.00    0.0019054    0.0027312   -0.0002647
 H    4.8852045   19.7566801    6.3740787  0.00   -0.0026222   -0.0042141   -0.0030174
 C    3.4769765   18.4284426    5.4585773  0.00   -0.0031799   -0.0030468    0.0037502
 C    3.4354194   17.5298966    6.6752299  0.00   -0.0001534    0.0019241   -0.0009267
 H    2.6028945   16.8354530    6.5470874  0.00    0.0003440   -0.0017336   -0.0032207
 C    4.7122645   16.6934812    6.7790874  0.00   -0.0003924    0.0018192   -0.0010835
 H    4.8498802   16.0579117    5.9034408  0.00   -0.0002019    0.0023497   -0.0025596
 H    4.6718688   16.0459093    7.6584137  0.00   -0.0028873    0.0016826   -0.0012232
 H    5.5922378   17.3340777    6.8785575  0.00    0.0003264    0.0012749   -0.0027644
 C    3.2170469   18.3111568    7.9697960  0.00    0.0005264   -0.0005716   -0.0003433
 H    4.0879774   18.9178889    8.2274543  0.00    0.0000392   -0.0009615   -0.0010085
 H    3.0486854   17.6240618    8.8023574  0.00   -0.0000778   -0.0000968   -0.0014837
 H    2.3590639   18.9861153    7.9080545  0.00    0.0003640   -0.0019945    0.0035165
 C    2.1974595   18.7053655    1.8240779  0.00   -0.0017047   -0.0013903    0.0004002
 H    1.4588461   17.9129327    1.9895134  0.00    0.0019717   -0.0008474    0.0014673
 C    1.4671077   19.9319901    1.2853606  0.00    0.0011874    0.0001234    0.0002963
 H    0.7574519   20.3401592    2.0101410  0.00    0.0002813    0.0008554   -0.0024738
 H    0.9164187   19.6781183    0.3776494  0.00    0.0001447   -0.0016786    0.0020509
 H    2.1616620   20.7338336    1.0274642  0.00    0.0019264   -0.0020694   -0.0015431
 C    3.1904538   18.1830458    0.7841981  0.00   -0.0004339   -0.0001626    0.0011139
 H    3.9549898   18.9342431    0.5701405  0.00    0.0017949   -0.0026846    0.0013591
 H    2.6765243   17.9537187   -0.1522229  0.00   -0.0038883    0.0013497    0.0020041
 H    3.6900291   17.2757188    1.1258221  0.00    0.0001679    0.0013781    0.0036671
 C   -0.1863024   16.9645955    7.1188883  0.00   -0.0000373    0.0003625    0.0011396
 H    0.6706892   17.4999911    7.5630161  0.00    0.0006827    0.0005559   -0.0002201
 H   -1.0863644   17.4325448    7.5534778  0.00   -0.0009301   -0.0004446   -0.0005700
 C    1.4371583   14.3297158    7.2445392  0.00   -0.0004672    0.0003820    0.0003359
 H    1.5392365   14.2995778    6.1565825  0.00    0.0016852   -0.0013983    0.0010080
 H    1.4217341   13.2958128    7.6019574  0.00   -0.0011346    0.0001935    0.0016771
 H    2.3374964   14.7957879    7.6522058  0.00   -0.0006221   -0.0006145    0.0010248
 C   -0.1287819   15.2635336    9.6852685  0.00   -0.0000051    0.0000924    0.0009655
 H    0.7327471   15.8134122   10.0734828  0.00    0.0002203    0.0019628   -0.0019980
 H   -0.0922057   14.2542779   10.1053741  0.00    0.0000341   -0.0007321   -0.0017526
 H   -1.0305990   15.7477783   10.0693946  0.00   -0.0003155    0.0020281   -0.0016936
 C   -1.6137116   14.2202535    7.2387617  0.00    0.0005012    0.0001816    0.0003141
 H   -2.5460216   14.6209070    7.6440841  0.00    0.0003260   -0.0007667    0.0010948
 H   -1.5257314   13.1898767    7.5958016  0.00    0.0008687   -0.0000865    0.0013897
 H   -1.7103188   14.1838707    6.1505096  0.00   -0.0013511   -0.0014820    0.0007879
129
 Energy =   -2867.2892696210
 O   -0.1328261   15.5624250    3.8322321  0.00   -0.0001177    0.0021150    0.0006574
Th   -0.2008121   17.7693116    4.8694810  0.00    0.0004285   -0.0001495    0.0041589
Si   -0.1228718   15.2071321    7.8098135  0.00    0.0003434   -0.0028663    0.0005806
 N   -2.1761797   16.9619387    4.2028475  0.00    0.0001314    0.0030050    0.0018193
 N    1.8221793   17.0706053    4.2278157  0.00    0.0003838    0.0063061    0.0038619
 C   -2.5942640   13.1485413    2.6027027  0.00    0.0020765    0.0036790    0.0011456
 H   -2.6595832   12.1508847    2.1924487  0.00    0.0044158   -0.0005126    0.0006436
 C   -3.7606791   13.8778301    2.7950149  0.00    0.0018541   -0.0030700   -0.0009206
 C   -3.6663265   15.1696506    3.3259879  0.00    0.0019334    0.0016238    0.0009057
 H   -4.5545449   15.7719743    3.4730676  0.00   -0.0011822    0.0005143    0.0003746
 C   -2.4360208   15.7058327    3.6635115  0.00   -0.0014748   -0.0016924    0.0000476
 C    2.1586053   15.8393051    3.6761119  0.00    0.0008414   -0.0022069   -0.0000822
 C    3.4190171   15.3820945    3.3349926  0.00   -0.0000427   -0.0013370   -0.0004822
 H    4.2694263   16.0349713    3.4898186  0.00    0.0011385    0.0008514   -0.0000494
 C    3.5914691   14.1001240    2.7990080  0.00   -0.0020250    0.0012465    0.0010952
 C    2.4713607   13.3023523    2.6035785  0.00   -0.0052136    0.0018327    0.0009520
 H    2.5973703   12.3115995    2.1906057  0.00   -0.0044311   -0.0002519    0.0006619
 C   -0.0503758   12.8461985    2.7065528  0.00   -0.0002253   -0.0018608   -0.0010335
 C   -1.3260965   13.6527340    2.9202186  0.00    0.0032821   -0.0016878   -0.0010051
 C   -1.3058719   14.9162317    3.4522011  0.00    0.0021429    0.0011812    0.0007630
 C    1.0773756   14.9860663    3.4564992  0.00   -0.0027651   -0.0026103   -0.0006368
 C    1.1742480   13.7277348    2.9210316  0.00   -0.0001134    0.0010110   -0.0000332
 C   -0.0154267   11.6849091    3.7136378  0.00   -0.0007472    0.0012861    0.0003593
 H   -0.0269038   12.0528276    4.7413147  0.00    0.0000889   -0.0003295    0.0010219
 H    0.8878132   11.0870876    3.5741226  0.00   -0.0020756    0.0014958    0.0020134
 H   -0.8807836   11.0334786    3.5736420  0.00    0.0025775    0.0017605    0.0022854
 C   -0.0330954   12.2798312    1.2810102  0.00   -0.0010304    0.0029505    0.0004718
 H   -0.8914978   11.6286675    1.1121469  0.00    0.0024654    0.0022550   -0.0017037
 H    0.8630136   11.6816526    1.1125704  0.00   -0.0017257    0.0016410   -0.0019970
 H   -0.0571952   13.0803079    0.5395676  0.00    0.0001680   -0.0019648   -0.0028066
 C   -5.1390337   13.3223577    2.4390861  0.00    0.0015432   -0.0015140   -0.0006718
 C   -6.0237212   13.3089999    3.6911104  0.00   -0.0024739   -0.0007955    0.0002967
 H   -5.5835110   12.6901287    4.4763714  0.00    0.0009666   -0.0027944    0.0016361
 H   -7.0086676   12.9012835    3.4499321  0.00    0.0024974    0.0012475   -0.0001947
 H   -6.1740195   14.3116493    4.0963287  0.00   -0.0007852    0.0031482   -0.0023246
 C   -5.7835954   14.2142736    1.3713197  0.00   -0.0021280    0.0005770   -0.0013408
 H   -5.9108530   15.2415054    1.7193977  0.00   -0.0016283    0.0010753    0.0032203
 H   -6.7722281   13.8299841    1.1078616  0.00    0.0015103    0.0005246    0.0008044
 H   -5.1771088   14.2383939    0.4628508  0.00    0.0014273   -0.0012134   -0.0037877
 C   -5.0681319   11.8993954    1.8927577  0.00    0.0010960   -0.0020610   -0.0004863
 H   -4.4810507   11.8436043    0.9729552  0.00    0.0006648   -0.0011909   -0.0034608
 H   -6.0760401   11.5506206    1.6585351  0.00    0.0020903   -0.0002399   -0.0000949
 H   -4.6419328   11.2044071    2.6203200  0.00    0.0001709   -0.0031347    0.0008951
 C    5.0021283   13.6272685    2.4506430  0.00   -0.0010002   -0.0023871   -0.0008658
 C    5.6132985   14.5718400    1.4091126  0.00    0.0017554    0.0011864   -0.0010610
 H    6.6225263   14.2420948    1.1500919  0.00   -0.0013655    0.0004113    0.0007515
 H    5.6872316   15.5964596    1.7795878  0.00    0.0014274    0.0010255    0.0031312
 H    5.0167008   14.5851888    0.4939094  0.00   -0.0015935   -0.0011871   -0.0038980
 C    5.8684639   13.6377097    3.7156917  0.00    0.0022131   -0.0001013    0.0006221
 H    5.4534353   12.9775832    4.4807686  0.00   -0.0007608   -0.0028942    0.0017549
 H    5.9534250   14.6384167    4.1442326  0.00    0.0007641    0.0030594   -0.0023066
 H    6.8788189   13.2928122    3.4816093  0.00   -0.0022180    0.0010024   -0.0001851
 C    5.0157187   12.2133404    1.8771685  0.00    0.0000955   -0.0021990   -0.0006345
 H    4.6235655   11.4815467    2.5874679  0.00   -0.0003612   -0.0034873    0.0010298
 H    6.0436286   11.9260329    1.6462195  0.00   -0.0028004   -0.0002643    0.0000139
 H    4.4401209   12.1427031    0.9511549  0.00   -0.0011052   -0.0013235   -0.0036142
 C   -3.1761459   17.9765663    4.2638611  0.00   -0.0000598    0.0005511    0.0014736
 C   -3.9537398   18.1551055    5.4327051  0.00    0.0039694   -0.0017988   -0.0012362
 C   -4.8949556   19.1796330    5.4553473  0.00   -0.0052697    0.0024042    0.0069552
 H   -5.5010213   19.3217105    6.3427763  0.00    0.0036517   -0.0028322   -0.0048688
 C   -5.0847093   20.0095272    4.3681520  0.00    0.0087456   -0.0002864   -0.0087671
 H   -5.8298463   20.7955505    4.4060460  0.00   -0.0000694    0.0008227    0.0012604
 C   -4.3217824   19.8329685    3.2282750  0.00   -0.0051424    0.0023746    0.0088958
 H   -4.4833368   20.4862755    2.3798991  0.00    0.0005855   -0.0000092   -0.0009976
 C   -3.3630705   18.8295069    3.1462358  0.00    0.0016551    0.0019202   -0.0024397
 C   -2.6086487   18.6530018    1.8434983  0.00   -0.0024984    0.0018697    0.0011411
 H   -1.7136731   18.0498329    2.0452475  0.00    0.0000706    0.0000992    0.0008127
 C   -3.4482618   17.8776946    0.8253126  0.00    0.0018384   -0.0009198    0.0004165
 H   -3.7273493   16.8910416    1.1953742  0.00    0.0005713    0.0003361    0.0033803
 H   -2.8925053   17.7469690   -0.1063504  0.00    0.0025305    0.0005228    0.0028572
 H   -4.3641011   18.4279424    0.5939879  0.00   -0.0010710   -0.0008417    0.0014027
 C   -2.1621037   19.9815314    1.2393405  0.00    0.0020203   -0.0022208    0.0002155
 H   -3.0116390   20.5665315    0.8822466  0.00   -0.0020569   -0.0019348   -0.0008523
 H   -1.5156951   19.8044234    0.3782644  0.00   -0.0013322   -0.0002210    0.0012005
 H   -1.6159718   20.6005567    1.9553098  0.00   -0.0012432    0.0025497   -0.0024406
 C   -3.8453766   17.2505124    6.6406275  0.00    0.0006158    0.0005225   -0.0029334
 H   -2.9641907   16.6200103    6.5063155  0.00   -0.0013101   -0.0002436   -0.0015896
 C   -5.0572012   16.3233188    6.7446861  0.00   -0.0010898    0.0014163    0.0007944
 H   -5.9814637   16.8967306    6.8524555  0.00    0.0010281    0.0010017   -0.0020806
 H   -4.9651848   15.6752089    7.6196850  0.00    0.0016794    0.0012823   -0.0008032
 H   -5.1523550   15.6847345    5.8659555  0.00   -0.0000739    0.0005082   -0.0033175
 C   -3.6812414   18.0406428    7.9383589  0.00   -0.0000885   -0.0009999   -0.0008701
 H   -2.8688881   18.7699474    7.8802490  0.00   -0.0005997    0.0004599    0.0028241
 H   -3.4705042   17.3644417    8.7701344  0.00    0.0000337   -0.0020574   -0.0011948
 H   -4.5903686   18.5895526    8.1939721  0.00    0.0010129   -0.0028976   -0.0009267
 C    2.7444767   18.1557516    4.2785403  0.00   -0.0060482   -0.0008186   -0.0095857
 C    2.8904827   18.9878779    3.1405837  0.00    0.0025481    0.0031275    0.0052600
 C    3.7485681   20.0791233    3.2186097  0.00   -0.0042863   -0.0018454   -0.0042026
 H    3.8753792   20.7191043    2.3533188  0.00    0.0002688   -0.0014671    0.0000293
 C    4.4542556   20.3578638    4.3741229  0.00    0.0002918    0.0010906    0.0066126
 H    5.1195842   21.2127847    4.4117033  0.00   -0.0016683   -0.0020464    0.0000357
 C    4.3157322   19.5380930    5.4779189  0.00   -0.0024933    0.0014858   -0.0066887
 H    4.8843230   19.7562506    6.3741943  0.00   -0.0012393   -0.0022265   -0.0003427
 C    3.4762582   18.4282149    5.4584907  0.00    0.0041916    0.0031746    0.0086413
 C    3.4348968   17.5297484    6.6751862  0.00    0.0001739    0.0014494   -0.0031349
 H    2.6024785   16.8351480    6.5464074  0.00    0.0015068   -0.0008767   -0.0006908
 C    4.7119548   16.6937173    6.7787751  0.00   -0.0003020    0.0021196    0.0002710
 H    4.8496140   16.0582563    5.9031345  0.00   -0.0002552    0.0011494   -0.0028847
 H    4.6713253   16.0463753    7.6582631  0.00   -0.0014015    0.0010772   -0.0016436
 H    5.5919561   17.3344347    6.8780643  0.00   -0.0010455    0.0008004   -0.0023944
 C    3.2169166   18.3110399    7.9698477  0.00   -0.0004662   -0.0022460   -0.0016723
 H    4.0880998   18.9176467    8.2272229  0.00   -0.0016779   -0.0014724   -0.0009210
 H    3.0483035   17.6240315    8.8023880  0.00    0.0010365   -0.0007693   -0.0009801
 H    2.3587313   18.9856254    7.9082602  0.00    0.0003012    0.0001802    0.0032907
 C    2.1968232   18.7051936    1.8243216  0.00    0.0024267    0.0029122   -0.0004583
 H    1.4584471   17.9127527    1.9898794  0.00   -0.0006013   -0.0014585    0.0014223
 C    1.4671112   19.9321567    1.2852211  0.00   -0.0017294   -0.0042779    0.0001917
 H    0.7575148   20.3407003    2.0098082  0.00    0.0007818    0.0020004   -0.0018446
 H    0.9159541   19.6778471    0.3778500  0.00    0.0010155   -0.0008608    0.0020588
 H    2.1620493   20.7333908    1.0267878  0.00    0.0021584   -0.0015057   -0.0016805
 C    3.1898179   18.1827919    0.7845444  0.00   -0.0019434   -0.0021277    0.0003990
 H    3.9546194   18.9335890    0.5706260  0.00    0.0023985   -0.0008219    0.0007550
 H    2.6754826   17.9538213   -0.1518201  0.00   -0.0021714    0.0008867    0.0024983
 H    3.6893463   17.2754912    1.1262626  0.00   -0.0006599    0.0003886    0.0030331
 C   -0.1862400   16.9644287    7.1184656  0.00   -0.0002023    0.0006272    0.0007753
 H    0.6707065   17.4998900    7.5625118  0.00    0.0006273    0.0012889    0.0000573
 H   -1.0865016   17.4320480    7.5528967  0.00   -0.0010442    0.0005999   -0.0003505
 C    1.4370618   14.3296938    7.2450090  0.00    0.0000992    0.0005735    0.0003074
 H    1.5392640   14.2996966    6.1570283  0.00    0.0014841   -0.0015226    0.0013971
 H    1.4217437   13.2957490    7.6023888  0.00   -0.0013145    0.0008047    0.0014782
 H    2.3373521   14.7958730    7.6526984  0.00   -0.0005914   -0.0008393    0.0010455
 C   -0.1288435   15.2641261    9.6854595  0.00   -0.0001228    0.0002916   -0.0004157
 H    0.7327634   15.8141471   10.0733622  0.00   -0.0001612    0.0008772   -0.0012917
 H   -0.0922515   14.2544801   10.1048178  0.00   -0.0000254    0.0013274   -0.0005670
 H   -1.0307165   15.7485305   10.0693625  0.00    0.0003528    0.0008971   -0.0012546
 C   -1.6136475   14.2203374    7.2391839  0.00   -0.0002827    0.0004708    0.0001669
 H   -2.5460139   14.6209575    7.6445126  0.00    0.0007895   -0.0010234    0.0010000
 H   -1.5256211   13.1899362    7.5962079  0.00    0.0008879    0.0003688    0.0011481
 H   -1.7103454   14.1840441    6.1508958  0.00   -0.0011450   -0.0016215    0.0013814
129
 Energy =   -2867.2892784820
 O   -0.1327972   15.5621827    3.8324192  0.00    0.0003156    0.0030221    0.0005451
Th   -0.2008563   17.7690404    4.8688529  0.00    0.0003123    0.0015377    0.0043314
Si   -0.1228709   15.2077700    7.8102670  0.00    0.0000417   -0.0043189   -0.0008434
 N   -2.1761630   16.9614020    4.2025601  0.00    0.0020339    0.0021276    0.0017765
 N    1.8221599   17.0702201    4.2276124  0.00   -0.0026490    0.0017864    0.0018664
 C   -2.5937138   13.1484894    2.6027670  0.00    0.0016659    0.0014936   -0.0002034
 H   -2.6587019   12.1507843    2.1927483  0.00    0.0036028   -0.0013791   -0.0001164
 C   -3.7600727   13.8775797    2.7948329  0.00   -0.0018276   -0.0029887   -0.0017023
 C   -3.6662603   15.1694164    3.3256599  0.00   -0.0003520    0.0021482    0.0015253
 H   -4.5547621   15.7715911    3.4727439  0.00    0.0012671   -0.0007624   -0.0002800
 C   -2.4361051   15.7054112    3.6633677  0.00    0.0029016   -0.0010621    0.0007322
 C    2.1586708   15.8389376    3.6759988  0.00    0.0022708   -0.0001616    0.0002732
 C    3.4191717   15.3819838    3.3346859  0.00   -0.0047488   -0.0032225    0.0002577
 H    4.2698236   16.0345060    3.4894563  0.00    0.0007890    0.0014955   -0.0001605
 C    3.5908935   14.0998670    2.7988963  0.00    0.0035683    0.0025476    0.0003893
 C    2.4708729   13.3022906    2.6036987  0.00   -0.0055028   -0.0001219   -0.0004471
 H    2.5966488   12.3115376    2.1908417  0.00   -0.0037894   -0.0012239    0.0000405
 C   -0.0503758   12.8460303    2.7060462  0.00    0.0005961   -0.0026113   -0.0003204
 C   -1.3256791   13.6526875    2.9201023  0.00    0.0017477   -0.0031765   -0.0018247
 C   -1.3057128   14.9159130    3.4523129  0.00    0.0010636    0.0031604    0.0007885
 C    1.0773689   14.9857887    3.4565788  0.00   -0.0047053   -0.0008641   -0.0000693
 C    1.1738851   13.7276900    2.9209391  0.00    0.0016815   -0.0014177   -0.0014282
 C   -0.0153956   11.6852592    3.7137343  0.00   -0.0004298    0.0005059    0.0014031
 H   -0.0268747   12.0542236    4.7410883  0.00    0.0000906   -0.0010240    0.0004948
 H    0.8876931   11.0870632    3.5750219  0.00   -0.0011023    0.0022404    0.0012860
 H   -0.8805727   11.0335033    3.5745720  0.00    0.0011643    0.0020597    0.0015774
 C   -0.0330765   12.2798962    1.2802362  0.00   -0.0005968    0.0025954    0.0006458
 H   -0.8912249   11.6285547    1.1106990  0.00    0.0013523    0.0032960   -0.0003121
 H    0.8628168   11.6814968    1.1111329  0.00   -0.0011472    0.0031187   -0.0005171
 H   -0.0571929   13.0807003    0.5390890  0.00    0.0002229   -0.0024821   -0.0023499
 C   -5.1381534   13.3219835    2.4387529  0.00   -0.0008528   -0.0016125   -0.0010673
 C   -6.0232001   13.3086008    3.6904133  0.00   -0.0013988   -0.0005695    0.0016745
 H   -5.5832590   12.6896617    4.4757856  0.00    0.0002635   -0.0030185    0.0016429
 H   -7.0079676   12.9010775    3.4484159  0.00    0.0016332    0.0008275    0.0008731
 H   -6.1734983   14.3112524    4.0956901  0.00   -0.0010539    0.0027685   -0.0024885
 C   -5.7833090   14.2136481    1.3712015  0.00   -0.0010190    0.0012006   -0.0021092
 H   -5.9107366   15.2408757    1.7192748  0.00   -0.0014581    0.0009294    0.0029468
 H   -6.7719489   13.8289684    1.1084588  0.00    0.0011444    0.0006147    0.0002715
 H   -5.1773185   14.2377736    0.4623912  0.00    0.0012447   -0.0009590   -0.0037362
 C   -5.0672429   11.8991024    1.8924851  0.00    0.0020057   -0.0030684   -0.0009788
 H   -4.4802417   11.8432250    0.9726575  0.00    0.0011034   -0.0010452   -0.0036444
 H   -6.0750500   11.5501760    1.6582566  0.00    0.0012686   -0.0002617   -0.0000076
 H   -4.6409780   11.2041833    2.6200375  0.00    0.0003531   -0.0035032    0.0011444
 C    5.0013238   13.6267794    2.4503363  0.00    0.0002039   -0.0027322   -0.0012177
 C    5.6130456   14.5710796    1.4090088  0.00    0.0006389    0.0016448   -0.0019483
 H    6.6222911   14.2409764    1.1506968  0.00   -0.0007852    0.0004387    0.0001305
 H    5.6871065   15.5956903    1.7794656  0.00    0.0013058    0.0012175    0.0028696
 H    5.0169214   14.5843971    0.4935031  0.00   -0.0014759   -0.0008299   -0.0040622
 C    5.8680415   13.6372375    3.7149632  0.00    0.0012648   -0.0001606    0.0020114
 H    5.4533297   12.9771026    4.4802066  0.00   -0.0000880   -0.0031693    0.0018531
 H    5.9530453   14.6379498    4.1434926  0.00    0.0010974    0.0030094   -0.0022820
 H    6.8781905   13.2925332    3.4799966  0.00   -0.0011760    0.0005240    0.0009548
 C    5.0147807   12.2128966    1.8769282  0.00   -0.0010635   -0.0033620   -0.0011989
 H    4.6225201   11.4811230    2.5871975  0.00   -0.0003512   -0.0034059    0.0010636
 H    6.0425602   11.9253516    1.6459222  0.00   -0.0018609   -0.0002076    0.0001262
 H    4.4392398   12.1422168    0.9508730  0.00   -0.0013421   -0.0011273   -0.0034575
 C   -3.1757057   17.9761299    4.2636770  0.00    0.0034173    0.0013830    0.0016798
 C   -3.9525085   18.1548550    5.4327031  0.00   -0.0045367    0.0063521    0.0008968
 C   -4.8930729   19.1803893    5.4560619  0.00    0.0039360   -0.0022247   -0.0032150
 H   -5.4990034   19.3214887    6.3431640  0.00   -0.0006008    0.0004008    0.0011746
 C   -5.0818088   20.0112339    4.3691600  0.00    0.0017499   -0.0021991   -0.0005157
 H   -5.8266780   20.7976978    4.4076590  0.00    0.0022148   -0.0005126    0.0003775
 C   -4.3196241   19.8340627    3.2291755  0.00   -0.0007709    0.0001324    0.0036442
 H   -4.4810795   20.4869206    2.3804724  0.00    0.0006022    0.0017252   -0.0001523
 C   -3.3617399   18.8297092    3.1465835  0.00   -0.0008020    0.0045863   -0.0023914
 C   -2.6071738   18.6532785    1.8440118  0.00   -0.0030270    0.0016843    0.0012974
 H   -1.7120381   18.0501639    2.0459533  0.00   -0.0007474    0.0022167    0.0001357
 C   -3.4462643   17.8776808    0.8258080  0.00    0.0005132   -0.0010881    0.0007714
 H   -3.7252824   16.8911088    1.1959493  0.00    0.0012407   -0.0011974    0.0029633
 H   -2.8898369   17.7474479   -0.1054913  0.00    0.0010495   -0.0004148    0.0019489
 H   -4.3624380   18.4274740    0.5945305  0.00    0.0000831   -0.0005507    0.0005709
 C   -2.1617038   19.9818948    1.2393653  0.00    0.0020811   -0.0015790    0.0009351
 H   -3.0118222   20.5659697    0.8817699  0.00    0.0000327   -0.0031202   -0.0003382
 H   -1.5146892   19.8050654    0.3788231  0.00   -0.0013800   -0.0007845   -0.0008961
 H   -1.6161006   20.6016000    1.9550123  0.00   -0.0013926    0.0039018   -0.0010373
 C   -3.8443465   17.2501932    6.6403730  0.00    0.0006716   -0.0001148   -0.0030318
 H   -2.9632889   16.6195546    6.5053126  0.00   -0.0021836    0.0001062    0.0008368
 C   -5.0563124   16.3234129    6.7445969  0.00   -0.0010641    0.0002293   -0.0010120
 H   -5.9805434   16.8969277    6.8519603  0.00    0.0011487    0.0014359   -0.0011879
 H   -4.9639815   15.6758523    7.6199229  0.00    0.0002402    0.0000393   -0.0011058
 H   -5.1515845   15.6847847    5.8659021  0.00    0.0000474   -0.0005197   -0.0025293
 C   -3.6806062   18.0400386    7.9383192  0.00    0.0014216   -0.0010852   -0.0012154
 H   -2.8684478   18.7694615    7.8805023  0.00   -0.0005978    0.0026230    0.0024039
 H   -3.4691582   17.3640117    8.7699810  0.00   -0.0009098   -0.0036219   -0.0007777
 H   -4.5901991   18.5882371    8.1940457  0.00    0.0025172   -0.0029652   -0.0010380
 C    2.7438496   18.1552898    4.2780820  0.00   -0.0009859    0.0026433    0.0057871
 C    2.8893318   18.9880724    3.1409420  0.00   -0.0027177   -0.0003529   -0.0028299
 C    3.7462700   20.0797653    3.2190413  0.00    0.0041960    0.0046844    0.0030085
 H    3.8733666   20.7193689    2.3535250  0.00   -0.0004357   -0.0004676    0.0007122
 C    4.4514142   20.3592294    4.3751769  0.00   -0.0003604    0.0015028   -0.0050559
 H    5.1164537   21.2145424    4.4129301  0.00   -0.0035943   -0.0037596    0.0002031
 C    4.3135046   19.5387518    5.4781901  0.00   -0.0016257   -0.0017942    0.0018516
 H    4.8819855   19.7562377    6.3746978  0.00   -0.0009075   -0.0000377   -0.0006007
 C    3.4750871   18.4280842    5.4587830  0.00    0.0003933    0.0057659   -0.0044632
 C    3.4337967   17.5295741    6.6750168  0.00    0.0011882    0.0009740   -0.0019145
 H    2.6015591   16.8347328    6.5455272  0.00    0.0026585    0.0001540    0.0015227
 C    4.7110799   16.6940274    6.7786327  0.00   -0.0001007    0.0009694   -0.0010483
 H    4.8487701   16.0583902    5.9030706  0.00   -0.0004466    0.0007769   -0.0018500
 H    4.6701102   16.0472016    7.6584342  0.00    0.0003596   -0.0000037   -0.0016996
 H    5.5910983   17.3348715    6.8774267  0.00   -0.0020477    0.0006699   -0.0015841
 C    3.2161267   18.3108036    7.9698032  0.00   -0.0014313   -0.0026680   -0.0023020
 H    4.0876464   18.9171454    8.2270335  0.00   -0.0035583   -0.0021464   -0.0009867
 H    3.0470038   17.6240650    8.8023673  0.00    0.0022247   -0.0023170   -0.0002787
 H    2.3579085   18.9852268    7.9083421  0.00    0.0001537    0.0023433    0.0029119
 C    2.1954378   18.7052075    1.8246815  0.00    0.0042375    0.0032235    0.0013399
 H    1.4570150   17.9127895    1.9905561  0.00   -0.0010825    0.0002054    0.0011537
 C    1.4666009   19.9324003    1.2850520  0.00   -0.0011017   -0.0040139    0.0005870
 H    0.7574657   20.3420264    2.0093873  0.00    0.0009300    0.0028413   -0.0007550
 H    0.9147830   19.6777511    0.3783182  0.00    0.0007288   -0.0009295   -0.0001095
 H    2.1623362   20.7327838    1.0256084  0.00    0.0002525   -0.0029540   -0.0011575
 C    3.1879928   18.1821523    0.7849608  0.00   -0.0005766   -0.0005395    0.0007947
 H    3.9535109   18.9323380    0.5712768  0.00    0.0013498   -0.0004432    0.0000592
 H    2.6730186   17.9540064   -0.1512311  0.00   -0.0005393   -0.0003152    0.0018912
 H    3.6872031   17.2747797    1.1267669  0.00   -0.0014778   -0.0014058    0.0023374
 C   -0.1861583   16.9643712    7.1176626  0.00   -0.0003362    0.0004024    0.0014353
 H    0.6706929   17.5000182    7.5616040  0.00    0.0003133    0.0020768    0.0003752
 H   -1.0867066   17.4315840    7.5518422  0.00   -0.0009774    0.0019142   -0.0000546
 C    1.4369309   14.3299423    7.2458602  0.00    0.0006760    0.0001431    0.0003812
 H    1.5392914   14.3001849    6.1578897  0.00    0.0014308   -0.0018009    0.0012634
 H    1.4217808   13.2959211    7.6031158  0.00   -0.0016158    0.0014634    0.0013215
 H    2.3371153   14.7962074    7.6536318  0.00   -0.0000657   -0.0008168    0.0012345
 C   -0.1289940   15.2655540    9.6858001  0.00    0.0000857   -0.0001673   -0.0021303
 H    0.7327139   15.8157407   10.0732949  0.00   -0.0005835   -0.0002864   -0.0004594
 H   -0.0923956   14.2554962   10.1043643  0.00   -0.0000916    0.0035989    0.0011006
 H   -1.0309282   15.7501547   10.0693630  0.00    0.0008623   -0.0002019   -0.0006681
 C   -1.6136086   14.2207784    7.2399412  0.00   -0.0005840   -0.0003574    0.0003823
 H   -2.5459803   14.6212988    7.6453297  0.00    0.0006391   -0.0009358    0.0011285
 H   -1.5255498   13.1903014    7.5968870  0.00    0.0009429    0.0011612    0.0008052
 H   -1.7104067   14.1846378    6.1516574  0.00   -0.0011246   -0.0018958    0.0013109
129
 Energy =   -2867.2892836770
 O   -0.1327182   15.5619215    3.8324143  0.00   -0.0019432    0.0023217   -0.0001507
Th   -0.2008620   17.7689268    4.8684177  0.00    0.0005027    0.0017046    0.0046835
Si   -0.1228807   15.2081930    7.8105401  0.00   -0.0001439   -0.0025925   -0.0012696
 N   -2.1760414   16.9610059    4.2023647  0.00    0.0041212    0.0008022    0.0013231
 N    1.8220386   17.0698881    4.2274532  0.00   -0.0026121   -0.0018249    0.0007917
 C   -2.5934525   13.1482654    2.6026040  0.00    0.0050974   -0.0003196   -0.0008275
 H   -2.6580769   12.1504567    2.1927550  0.00    0.0026692   -0.0011052   -0.0003837
 C   -3.7597806   13.8771884    2.7945321  0.00   -0.0046914   -0.0005229   -0.0011280
 C   -3.6663220   15.1691076    3.3253562  0.00    0.0052202    0.0013805    0.0024813
 H   -4.5548724   15.7711857    3.4724281  0.00    0.0011593   -0.0004531   -0.0002922
 C   -2.4360042   15.7050087    3.6632113  0.00   -0.0013604   -0.0008110    0.0000270
 C    2.1588133   15.8385088    3.6758007  0.00   -0.0053751    0.0027885    0.0023117
 C    3.4191723   15.3816531    3.3344071  0.00    0.0003581   -0.0022596    0.0005791
 H    4.2701472   16.0340949    3.4891363  0.00   -0.0022603   -0.0001165   -0.0005381
 C    3.5907081   14.0995437    2.7986626  0.00    0.0022522    0.0010212   -0.0002044
 C    2.4705304   13.3020849    2.6035814  0.00    0.0002622   -0.0029482   -0.0025390
 H    2.5961353   12.3112185    2.1907991  0.00   -0.0032842   -0.0002331    0.0001957
 C   -0.0503428   12.8456050    2.7056363  0.00    0.0016059    0.0003248    0.0014869
 C   -1.3253410   13.6524428    2.9198937  0.00   -0.0032835   -0.0054286   -0.0026435
 C   -1.3056218   14.9155064    3.4522231  0.00    0.0038152    0.0059803    0.0012498
 C    1.0772371   14.9854366    3.4565166  0.00    0.0003089   -0.0009769   -0.0017241
 C    1.1737675   13.7273463    2.9206824  0.00   -0.0018732    0.0015544    0.0008035
 C   -0.0153735   11.6852636    3.7137003  0.00    0.0000414   -0.0003063    0.0009619
 H   -0.0268311   12.0546903    4.7408378  0.00    0.0000473   -0.0008897    0.0012388
 H    0.8875877   11.0869095    3.5753618  0.00    0.0001646    0.0020453    0.0008285
 H   -0.8803891   11.0333750    3.5749473  0.00   -0.0005648    0.0014362    0.0010773
 C   -0.0330676   12.2797430    1.2797801  0.00    0.0000564    0.0004434    0.0000169
 H   -0.8910029   11.6283087    1.1098761  0.00   -0.0001200    0.0031437    0.0003482
 H    0.8626636   11.6812203    1.1103081  0.00   -0.0003373    0.0034817    0.0002864
 H   -0.0571685   13.0804688    0.5386375  0.00    0.0001689   -0.0013236   -0.0025111
 C   -5.1377242   13.3215076    2.4383910  0.00   -0.0016727   -0.0010973   -0.0007899
 C   -6.0229017   13.3081481    3.6900127  0.00    0.0008789   -0.0001955    0.0015222
 H   -5.5831065   12.6889281    4.4753556  0.00   -0.0004506   -0.0018570    0.0010162
 H   -7.0075075   12.9008527    3.4475183  0.00   -0.0002808   -0.0000771    0.0013669
 H   -6.1731919   14.3109006    4.0952047  0.00   -0.0008010    0.0015867   -0.0023611
 C   -5.7831551   14.2131582    1.3709036  0.00    0.0010101    0.0007263   -0.0018036
 H   -5.9106922   15.2403762    1.7191356  0.00   -0.0009249    0.0002359    0.0020662
 H   -6.7717630   13.8282618    1.1087129  0.00   -0.0000975    0.0004791   -0.0006890
 H   -5.1774091   14.2370592    0.4618053  0.00    0.0003577   -0.0002874   -0.0022244
 C   -5.0666452   11.8986354    1.8921785  0.00    0.0013201   -0.0030793   -0.0015563
 H   -4.4797961   11.8427860    0.9722020  0.00    0.0012145   -0.0011488   -0.0027001
 H   -6.0744394   11.5497057    1.6579893  0.00    0.0009040   -0.0005093   -0.0000977
 H   -4.6404722   11.2037238    2.6198159  0.00    0.0006728   -0.0032821    0.0006635
 C    5.0009387   13.6261969    2.4499831  0.00    0.0012434   -0.0013718   -0.0007792
 C    5.6129323   14.5704870    1.4087020  0.00   -0.0010886    0.0007416   -0.0018830
 H    6.6221758   14.2401614    1.1509378  0.00    0.0001530    0.0004706   -0.0007460
 H    5.6870873   15.5950929    1.7792913  0.00    0.0008145    0.0005949    0.0019929
 H    5.0170575   14.5835422    0.4929071  0.00   -0.0005607   -0.0000755   -0.0024813
 C    5.8678363   13.6367199    3.7145371  0.00   -0.0007040   -0.0003364    0.0017125
 H    5.4533176   12.9763289    4.4797800  0.00    0.0005900   -0.0019135    0.0012469
 H    5.9528733   14.6375367    4.1429390  0.00    0.0008850    0.0019554   -0.0020968
 H    6.8778165   13.2922170    3.4790227  0.00    0.0005114   -0.0001826    0.0015730
 C    5.0142016   12.2122991    1.8766258  0.00   -0.0016482   -0.0031068   -0.0015523
 H    4.6219809   11.4805413    2.5869787  0.00   -0.0005416   -0.0030445    0.0004706
 H    6.0419074   11.9247099    1.6456478  0.00   -0.0008097   -0.0005106   -0.0000719
 H    4.4387710   12.1416940    0.9504313  0.00   -0.0012813   -0.0012712   -0.0023606
 C   -3.1750508   17.9759695    4.2635741  0.00    0.0002922    0.0058114    0.0060983
 C   -3.9517062   18.1550406    5.4328831  0.00    0.0024220    0.0013991   -0.0047878
 C   -4.8913277   19.1810430    5.4564762  0.00   -0.0009522   -0.0002101    0.0025911
 H   -5.4972069   19.3218227    6.3437634  0.00   -0.0000382    0.0013204   -0.0001634
 C   -5.0795307   20.0125479    4.3701508  0.00    0.0001250   -0.0015490   -0.0047713
 H   -5.8236950   20.7997121    4.4090785  0.00    0.0022073   -0.0015209    0.0001899
 C   -4.3177489   19.8350721    3.2299137  0.00   -0.0026433    0.0012325    0.0039783
 H   -4.4788943   20.4879366    2.3812065  0.00    0.0001266    0.0027512   -0.0000016
 C   -3.3606550   18.8301592    3.1468804  0.00    0.0011339    0.0009837   -0.0020555
 C   -2.6060405   18.6536351    1.8444479  0.00   -0.0012936    0.0009899    0.0006760
 H   -1.7107389   18.0506571    2.0465083  0.00   -0.0015541    0.0031117    0.0000981
 C   -3.4444992   17.8776929    0.8260684  0.00   -0.0006460   -0.0006948    0.0018231
 H   -3.7232166   16.8910227    1.1961761  0.00    0.0013464   -0.0014516    0.0026410
 H   -2.8875088   17.7479496   -0.1049313  0.00    0.0002350   -0.0010495    0.0012292
 H   -4.3609271   18.4270948    0.5947171  0.00    0.0006878   -0.0006532    0.0001413
 C   -2.1610127   19.9822171    1.2395927  0.00    0.0003492    0.0000015    0.0002095
 H   -3.0114877   20.5656477    0.8815507  0.00    0.0012818   -0.0034413    0.0000718
 H   -1.5137100   19.8056245    0.3793101  0.00   -0.0009960   -0.0012703   -0.0018366
 H   -1.6160351   20.6025385    1.9550781  0.00   -0.0008066    0.0041109   -0.0001757
 C   -3.8434990   17.2500252    6.6401459  0.00   -0.0013257    0.0010045   -0.0006097
 H   -2.9626094   16.6192961    6.5047713  0.00   -0.0014893   -0.0001228    0.0011664
 C   -5.0555461   16.3233970    6.7446471  0.00    0.0001482   -0.0006216   -0.0028183
 H   -5.9797488   16.8969387    6.8517348  0.00    0.0007268    0.0017256   -0.0007218
 H   -4.9629126   15.6762766    7.6202642  0.00   -0.0006496   -0.0005543   -0.0015197
 H   -5.1507427   15.6845251    5.8660429  0.00   -0.0000889   -0.0003592   -0.0015225
 C   -3.6798170   18.0396374    7.9382551  0.00    0.0027714   -0.0015514   -0.0006342
 H   -2.8679560   18.7693891    7.8805754  0.00   -0.0005581    0.0027427    0.0021860
 H   -3.4679582   17.3636391    8.7698764  0.00   -0.0012207   -0.0037571   -0.0013205
 H   -4.5896077   18.5873117    8.1941865  0.00    0.0020734   -0.0022680   -0.0009063
 C    2.7432310   18.1551611    4.2780736  0.00   -0.0034761    0.0051320    0.0022611
 C    2.8881040   18.9882787    3.1411033  0.00    0.0027671    0.0038028    0.0003290
 C    3.7444828   20.0807267    3.2195448  0.00   -0.0012455   -0.0023908    0.0015294
 H    3.8712124   20.7200390    2.3539833  0.00    0.0002997    0.0021351   -0.0009943
 C    4.4490585   20.3604780    4.3757431  0.00    0.0011674   -0.0033747    0.0005092
 H    5.1133307   21.2161656    4.4140112  0.00   -0.0015540   -0.0018778   -0.0001708
 C    4.3116880   19.5393742    5.4786279  0.00   -0.0020337    0.0012793   -0.0040965
 H    4.8798717   19.7566621    6.3751544  0.00    0.0009063    0.0014041    0.0016502
 C    3.4740577   18.4282764    5.4587639  0.00    0.0014047    0.0042114   -0.0011008
 C    3.4329579   17.5295721    6.6748729  0.00    0.0003678    0.0007580   -0.0025648
 H    2.6008755   16.8345461    6.5450582  0.00    0.0029182    0.0005864    0.0022528
 C    4.7102669   16.6942190    6.7787166  0.00   -0.0006519   -0.0004600   -0.0025363
 H    4.8479058   16.0582067    5.9033451  0.00   -0.0004870    0.0011179   -0.0010866
 H    4.6690144   16.0478446    7.6588282  0.00    0.0012634   -0.0005098   -0.0019185
 H    5.5902911   17.3350297    6.8771407  0.00   -0.0015015    0.0012238   -0.0010347
 C    3.2152004   18.3106073    7.9696579  0.00   -0.0025428   -0.0013190   -0.0010701
 H    4.0868238   18.9166854    8.2270456  0.00   -0.0032517   -0.0017576   -0.0008477
 H    3.0457346   17.6240562    8.8023097  0.00    0.0025129   -0.0029508   -0.0006363
 H    2.3571770   18.9853165    7.9082490  0.00    0.0003560    0.0021246    0.0026334
 C    2.1943794   18.7054495    1.8249952  0.00   -0.0003537   -0.0015580    0.0009737
 H    1.4556464   17.9130584    1.9910762  0.00    0.0008509    0.0027580    0.0006335
 C    1.4659684   19.9325769    1.2850377  0.00    0.0004181   -0.0005817   -0.0000900
 H    0.7573429   20.3432276    2.0092228  0.00    0.0005874    0.0024564   -0.0000393
 H    0.9137511   19.6778856    0.3786571  0.00    0.0004133   -0.0014710   -0.0012411
 H    2.1622313   20.7323997    1.0248262  0.00   -0.0012012   -0.0038256   -0.0006099
 C    3.1863338   18.1816992    0.7851879  0.00    0.0017458    0.0003501    0.0015125
 H    3.9524540   18.9313629    0.5715584  0.00    0.0004957   -0.0006736   -0.0002986
 H    2.6708351   17.9541429   -0.1508274  0.00    0.0001886   -0.0009599    0.0013430
 H    3.6850631   17.2740289    1.1269758  0.00   -0.0018019   -0.0013986    0.0018485
 C   -0.1861285   16.9645395    7.1171918  0.00   -0.0003576   -0.0002277    0.0024961
 H    0.6706426   17.5003735    7.5610990  0.00   -0.0000837    0.0020405    0.0003637
 H   -1.0868143   17.4316115    7.5512210  0.00   -0.0007484    0.0023547    0.0000610
 C    1.4368732   14.3302953    7.2464630  0.00    0.0009170   -0.0001469    0.0001108
 H    1.5393453   14.3006526    6.1585248  0.00    0.0015241   -0.0019563    0.0007610
 H    1.4217613   13.2962739    7.6036228  0.00   -0.0017139    0.0010230    0.0015014
 H    2.3369756   14.7965474    7.6543406  0.00    0.0004348   -0.0005381    0.0013959
 C   -0.1291145   15.2667227    9.6859792  0.00    0.0001802    0.0008148   -0.0027127
 H    0.7326271   15.8170253   10.0732836  0.00   -0.0008779   -0.0007114   -0.0002973
 H   -0.0925404   14.2567189   10.1044797  0.00   -0.0000457    0.0028065    0.0022866
 H   -1.0310779   15.7514631   10.0693404  0.00    0.0011559   -0.0005808   -0.0005797
 C   -1.6136237   14.2212357    7.2404841  0.00   -0.0006174   -0.0007021    0.0000667
 H   -2.5459465   14.6216861    7.6459594  0.00    0.0001891   -0.0006099    0.0013073
 H   -1.5255526   13.1907687    7.5973440  0.00    0.0010036    0.0005996    0.0009692
 H   -1.7104964   14.1851807    6.1522296  0.00   -0.0012479   -0.0020644    0.0008356
129
 Energy =   -2867.2892896810
 O   -0.1327308   15.5621017    3.8326769  0.00   -0.0000804    0.0010021   -0.0008396
Th   -0.2008836   17.7689814    4.8686382  0.00    0.0004635    0.0026229    0.0029433
Si   -0.1228819   15.2082700    7.8106807  0.00   -0.0003066    0.0009421   -0.0018531
 N   -2.1758348   16.9609169    4.2023682  0.00    0.0007331    0.0014095    0.0007853
 N    1.8218687   17.0697875    4.2274926  0.00   -0.0025953   -0.0007272    0.0010587
 C   -2.5927758   13.1482987    2.6025546  0.00   -0.0043765   -0.0020334   -0.0017036
 H   -2.6566679   12.1503467    2.1929867  0.00    0.0005331   -0.0012356   -0.0010377
 C   -3.7595857   13.8769100    2.7943233  0.00    0.0028451    0.0017899    0.0000058
 C   -3.6662232   15.1690002    3.3252814  0.00   -0.0002805   -0.0034411    0.0004260
 H   -4.5550768   15.7708776    3.4723142  0.00    0.0034571   -0.0011406   -0.0005103
 C   -2.4360228   15.7048118    3.6632324  0.00    0.0046370    0.0040717    0.0016333
 C    2.1587023   15.8384330    3.6758942  0.00    0.0003823    0.0003245   -0.0003744
 C    3.4192653   15.3814849    3.3342958  0.00   -0.0046236   -0.0006968    0.0024489
 H    4.2704881   16.0338052    3.4888949  0.00   -0.0039235   -0.0006987   -0.0005547
 C    3.5904675   14.0993107    2.7985469  0.00   -0.0001562   -0.0004198   -0.0012298
 C    2.4699975   13.3020484    2.6035558  0.00    0.0023195   -0.0004743   -0.0012091
 H    2.5947923   12.3111323    2.1909999  0.00   -0.0008510   -0.0019688   -0.0010336
 C   -0.0502769   12.8454121    2.7053649  0.00    0.0001053    0.0032835    0.0018578
 C   -1.3249659   13.6523469    2.9197821  0.00   -0.0009814    0.0042878    0.0012946
 C   -1.3053623   14.9156088    3.4523753  0.00   -0.0005122   -0.0020177   -0.0021308
 C    1.0770794   14.9853432    3.4566110  0.00   -0.0009918    0.0037007    0.0006563
 C    1.1733767   13.7273902    2.9206806  0.00    0.0021076   -0.0006007   -0.0010460
 C   -0.0153655   11.6855030    3.7137935  0.00    0.0004163   -0.0015932    0.0003498
 H   -0.0268022   12.0551149    4.7407883  0.00    0.0000055    0.0001727    0.0019296
 H    0.8873755   11.0869712    3.5758395  0.00    0.0023962    0.0013584    0.0002361
 H   -0.8801383   11.0334209    3.5754748  0.00   -0.0027482    0.0007918    0.0003354
 C   -0.0330591   12.2798433    1.2793383  0.00    0.0005931   -0.0006576   -0.0000994
 H   -0.8906624   11.6283258    1.1089920  0.00   -0.0028029    0.0021733    0.0013289
 H    0.8623485   11.6812121    1.1094096  0.00    0.0023306    0.0026780    0.0011664
 H   -0.0571454   13.0801459    0.5378148  0.00    0.0000993    0.0007705   -0.0013486
 C   -5.1372590   13.3210111    2.4380612  0.00   -0.0011872   -0.0002214   -0.0005212
 C   -6.0224647   13.3078962    3.6897717  0.00    0.0004937   -0.0007834   -0.0005387
 H   -5.5829992   12.6883550    4.4751996  0.00   -0.0010876    0.0002822    0.0000764
 H   -7.0069725   12.9008146    3.4466911  0.00   -0.0011230   -0.0006649    0.0022424
 H   -6.1730042   14.3109575    4.0943607  0.00    0.0002153   -0.0005575   -0.0015535
 C   -5.7828544   14.2128857    1.3706594  0.00    0.0007684   -0.0009649   -0.0005670
 H   -5.9108196   15.2399630    1.7195361  0.00    0.0005889   -0.0013082   -0.0000688
 H   -6.7715063   13.8277507    1.1090663  0.00   -0.0004497    0.0005583   -0.0015785
 H   -5.1774562   14.2365772    0.4611597  0.00   -0.0007262    0.0009776    0.0001903
 C   -5.0659854   11.8980203    1.8918296  0.00    0.0002474   -0.0017588   -0.0012776
 H   -4.4795244   11.8421517    0.9714929  0.00    0.0014377   -0.0011408   -0.0004504
 H   -6.0738660   11.5493902    1.6577858  0.00    0.0000817   -0.0012066   -0.0004389
 H   -4.6401798   11.2028820    2.6196045  0.00    0.0012332   -0.0017791   -0.0008607
 C    5.0004800   13.6256271    2.4496861  0.00    0.0008310   -0.0004836   -0.0005970
 C    5.6126349   14.5701396    1.4084634  0.00   -0.0008088   -0.0010348   -0.0006495
 H    6.6219552   14.2395974    1.1512780  0.00    0.0002017    0.0005971   -0.0015485
 H    5.6872027   15.5946331    1.7796836  0.00   -0.0006123   -0.0011707   -0.0002724
 H    5.0170885   14.5829758    0.4922782  0.00    0.0005706    0.0012292    0.0000428
 C    5.8674700   13.6364083    3.7143026  0.00   -0.0004834   -0.0008302   -0.0004760
 H    5.4533095   12.9757362    4.4796595  0.00    0.0011823    0.0003267    0.0003632
 H    5.9527760   14.6375869    4.1420699  0.00   -0.0000448   -0.0004097   -0.0013620
 H    6.8773469   13.2921150    3.4781756  0.00    0.0012385   -0.0007395    0.0024464
 C    5.0135292   12.2115573    1.8762840  0.00   -0.0006117   -0.0009562   -0.0009169
 H    4.6216846   11.4796016    2.5867569  0.00   -0.0012612   -0.0016955   -0.0008161
 H    6.0412880   11.9242452    1.6454306  0.00    0.0000903   -0.0010891   -0.0003973
 H    4.4384691   12.1409914    0.9497632  0.00   -0.0016197   -0.0013371   -0.0003673
 C   -3.1746046   17.9763507    4.2636695  0.00    0.0063655    0.0000849    0.0007583
 C   -3.9509646   18.1553786    5.4327770  0.00   -0.0004780    0.0011713   -0.0000580
 C   -4.8902171   19.1815264    5.4567396  0.00   -0.0007458    0.0003650    0.0012373
 H   -5.4961251   19.3215000    6.3439787  0.00   -0.0013323    0.0032963    0.0014145
 C   -5.0780362   20.0135430    4.3707465  0.00   -0.0020172   -0.0017030   -0.0011388
 H   -5.8217117   20.8010034    4.4101287  0.00    0.0008543   -0.0003773   -0.0001333
 C   -4.3166317   19.8359556    3.2305211  0.00    0.0013980   -0.0007264   -0.0009406
 H   -4.4775708   20.4884160    2.3815107  0.00   -0.0004893    0.0044129    0.0006763
 C   -3.3598660   18.8307085    3.1471258  0.00   -0.0017544    0.0018633    0.0014043
 C   -2.6054528   18.6539904    1.8449423  0.00    0.0012332    0.0003214   -0.0002373
 H   -1.7101938   18.0509741    2.0470990  0.00   -0.0009526    0.0036147    0.0003410
 C   -3.4434029   17.8776896    0.8265935  0.00   -0.0004555   -0.0011683    0.0018018
 H   -3.7217854   16.8910111    1.1969616  0.00    0.0015698   -0.0016979    0.0016948
 H   -2.8856029   17.7483254   -0.1040214  0.00   -0.0017466   -0.0017940    0.0011834
 H   -4.3600553   18.4266376    0.5950813  0.00    0.0009154   -0.0004897   -0.0005590
 C   -2.1607194   19.9823449    1.2397096  0.00    0.0004983    0.0012614   -0.0008113
 H   -3.0115103   20.5649496    0.8812645  0.00    0.0007947   -0.0023099   -0.0005122
 H   -1.5132916   19.8057465    0.3795513  0.00   -0.0007643   -0.0014658   -0.0020431
 H   -1.6162321   20.6035670    1.9547451  0.00   -0.0006269    0.0036035    0.0006543
 C   -3.8429706   17.2500667    6.6396902  0.00    0.0006392   -0.0006963   -0.0000806
 H   -2.9623193   16.6190259    6.5038994  0.00   -0.0015919    0.0006431    0.0018193
 C   -5.0550384   16.3235829    6.7443035  0.00    0.0001016   -0.0000703   -0.0022850
 H   -5.9792110   16.8972612    6.8512610  0.00    0.0010681    0.0010958   -0.0003589
 H   -4.9619331   15.6768917    7.6202552  0.00   -0.0020932   -0.0008236   -0.0028786
 H   -5.1502076   15.6846824    5.8657277  0.00   -0.0002657   -0.0011462   -0.0011026
 C   -3.6792151   18.0390869    7.9380707  0.00    0.0022855   -0.0007183    0.0007057
 H   -2.8677755   18.7693608    7.8810868  0.00   -0.0002416    0.0023126    0.0012279
 H   -3.4673344   17.3629119    8.7695668  0.00   -0.0009628   -0.0039418   -0.0018305
 H   -4.5892761   18.5861751    8.1940862  0.00    0.0015270   -0.0014812   -0.0003307
 C    2.7425720   18.1554701    4.2781543  0.00   -0.0023938    0.0035819    0.0002142
 C    2.8873754   18.9887924    3.1413461  0.00   -0.0000920   -0.0006800    0.0011306
 C    3.7433002   20.0813798    3.2199342  0.00   -0.0009814   -0.0004695   -0.0025660
 H    3.8700015   20.7201801    2.3539462  0.00    0.0004648    0.0030464    0.0005821
 C    4.4475192   20.3613318    4.3761136  0.00    0.0017919   -0.0029561    0.0004923
 H    5.1113812   21.2171163    4.4147403  0.00    0.0000837    0.0002202   -0.0004553
 C    4.3103938   19.5399040    5.4786099  0.00    0.0010132    0.0024131    0.0015346
 H    4.8785585   19.7564488    6.3753591  0.00    0.0009370    0.0032408    0.0006719
 C    3.4732676   18.4287641    5.4586925  0.00   -0.0009050    0.0001352   -0.0007458
 C    3.4324096   17.5297487    6.6744554  0.00   -0.0003500    0.0002686   -0.0012997
 H    2.6007286   16.8343429    6.5443706  0.00    0.0017752    0.0008877    0.0022924
 C    4.7097113   16.6946021    6.7783776  0.00   -0.0004805   -0.0006584   -0.0021586
 H    4.8472779   16.0585081    5.9031022  0.00   -0.0003123    0.0001600   -0.0013195
 H    4.6680297   16.0485437    7.6587259  0.00    0.0025542   -0.0007599   -0.0025702
 H    5.5897647   17.3353690    6.8765755  0.00   -0.0012802    0.0013917   -0.0004734
 C    3.2145296   18.3102308    7.9694417  0.00   -0.0026863   -0.0002803    0.0009561
 H    4.0861711   18.9160868    8.2268733  0.00   -0.0017276   -0.0007391   -0.0003221
 H    3.0452645   17.6236880    8.8021718  0.00    0.0022348   -0.0034607   -0.0014791
 H    2.3567497   18.9852919    7.9087530  0.00   -0.0002798    0.0017490    0.0014338
 C    2.1938010   18.7055541    1.8254348  0.00   -0.0008686   -0.0007625    0.0008084
 H    1.4551461   17.9131496    1.9916963  0.00    0.0000128    0.0028177    0.0008851
 C    1.4657368   19.9325168    1.2850610  0.00   -0.0013153    0.0002204   -0.0014125
 H    0.7574190   20.3442910    2.0088774  0.00    0.0006905    0.0018642    0.0007747
 H    0.9132390   19.6775746    0.3789364  0.00    0.0003318   -0.0015767   -0.0014820
 H    2.1623824   20.7316295    1.0240904  0.00   -0.0004530   -0.0023275   -0.0009817
 C    3.1853864   18.1814229    0.7856395  0.00    0.0013807   -0.0013644    0.0014364
 H    3.9520448   18.9304546    0.5719049  0.00    0.0003233    0.0002070   -0.0006749
 H    2.6690801   17.9542956   -0.1501000  0.00    0.0023169   -0.0014595    0.0015737
 H    3.6836023   17.2735248    1.1276538  0.00   -0.0021168   -0.0016265    0.0006492
 C   -0.1861176   16.9646778    7.1172170  0.00   -0.0000589   -0.0008654    0.0028665
 H    0.6706254   17.5007466    7.5610336  0.00   -0.0008801    0.0014805    0.0003484
 H   -1.0869841   17.4316330    7.5510243  0.00   -0.0004262    0.0024276    0.0002843
 C    1.4368399   14.3304592    7.2469590  0.00    0.0011299   -0.0005334    0.0001046
 H    1.5396485   14.3006137    6.1591094  0.00    0.0014367   -0.0018020   -0.0001704
 H    1.4214873   13.2965780    7.6042670  0.00   -0.0014424   -0.0003368    0.0017363
 H    2.3368368   14.7966186    7.6550536  0.00    0.0010442   -0.0000369    0.0016451
 C   -0.1291837   15.2674866    9.6859017  0.00    0.0001059    0.0018595   -0.0023623
 H    0.7325699   15.8179345   10.0729551  0.00   -0.0008071   -0.0008850   -0.0000273
 H   -0.0926334   14.2576379   10.1044979  0.00    0.0000230    0.0014406    0.0035785
 H   -1.0311491   15.7523987   10.0690416  0.00    0.0011830   -0.0007857   -0.0004524
 C   -1.6136206   14.2214234    7.2409342  0.00   -0.0008209   -0.0007661    0.0000094
 H   -2.5458660   14.6217353    7.6466086  0.00   -0.0003539   -0.0000796    0.0015069
 H   -1.5253511   13.1911088    7.5978880  0.00    0.0009726   -0.0010253    0.0013358
 H   -1.7107598   14.1851757    6.1527686  0.00   -0.0012335   -0.0019263   -0.0002163
129
 Energy =   -2867.2892936190
 O   -0.1327248   15.5622919    3.8325852  0.00   -0.0007689   -0.0009587   -0.0009930
Th   -0.2008489   17.7691420    4.8688845  0.00    0.0002977    0.0025067    0.0021810
Si   -0.1228815   15.2082735    7.8107585  0.00   -0.0001024    0.0024345   -0.0017482
 N   -2.1756206   16.9609418    4.2024097  0.00    0.0017885   -0.0007508   -0.0001947
 N    1.8216187   17.0697316    4.2275652  0.00    0.0004228   -0.0018522   -0.0005483
 C   -2.5927380   13.1482524    2.6024089  0.00    0.0014084   -0.0017562   -0.0009547
 H   -2.6561707   12.1501633    2.1929689  0.00   -0.0002689   -0.0002641   -0.0008312
 C   -3.7594194   13.8768516    2.7941601  0.00   -0.0012074    0.0011220    0.0000072
 C   -3.6661511   15.1688876    3.3252481  0.00    0.0054113   -0.0008289    0.0007250
 H   -4.5549055   15.7708150    3.4721399  0.00    0.0025483   -0.0008297   -0.0002860
 C   -2.4357674   15.7048303    3.6632610  0.00   -0.0033010    0.0007472   -0.0002013
 C    2.1586574   15.8383387    3.6758566  0.00   -0.0044410    0.0027602    0.0017574
 C    3.4190295   15.3813852    3.3343395  0.00    0.0022649   -0.0010337   -0.0001545
 H    4.2703512   16.0337876    3.4887486  0.00   -0.0053736   -0.0018012   -0.0005582
 C    3.5904435   14.0992535    2.7984047  0.00   -0.0024448   -0.0012518   -0.0005753
 C    2.4698923   13.3019891    2.6034109  0.00    0.0032440    0.0004050   -0.0007732
 H    2.5942946   12.3109603    2.1909812  0.00   -0.0001366   -0.0016746   -0.0011369
 C   -0.0502364   12.8454563    2.7053343  0.00   -0.0000963    0.0015076   -0.0004745
 C   -1.3248793   13.6524083    2.9197153  0.00   -0.0027496    0.0013953   -0.0005189
 C   -1.3052429   14.9155816    3.4522516  0.00   -0.0002402    0.0032184    0.0010185
 C    1.0768916   14.9854062    3.4565522  0.00    0.0036080    0.0020281    0.0002915
 C    1.1733827   13.7273768    2.9205749  0.00   -0.0007244    0.0034247    0.0006749
 C   -0.0153449   11.6856441    3.7139332  0.00    0.0000208   -0.0002337    0.0010356
 H   -0.0267751   12.0554485    4.7409061  0.00    0.0000232    0.0005136    0.0012559
 H    0.8873912   11.0871811    3.5762169  0.00    0.0032501    0.0003919   -0.0001211
 H   -0.8801378   11.0336030    3.5758919  0.00   -0.0031654    0.0001385   -0.0000440
 C   -0.0330356   12.2800180    1.2791712  0.00    0.0000950    0.0007212    0.0000966
 H   -0.8906543   11.6286708    1.1086391  0.00   -0.0033722    0.0009704    0.0014954
 H    0.8623489   11.6815700    1.1090397  0.00    0.0033740    0.0012182    0.0012998
 H   -0.0571183   13.0802208    0.5374927  0.00    0.0000509    0.0014729   -0.0002102
 C   -5.1371632   13.3208080    2.4378484  0.00    0.0026960   -0.0010082   -0.0004996
 C   -6.0222837   13.3076357    3.6896528  0.00    0.0004710   -0.0002177   -0.0009783
 H   -5.5829823   12.6878110    4.4750350  0.00   -0.0013327    0.0017766   -0.0005229
 H   -7.0067825   12.9007076    3.4465029  0.00   -0.0020677   -0.0012185    0.0018609
 H   -6.1729610   14.3108375    4.0940278  0.00    0.0009371   -0.0019871   -0.0012641
 C   -5.7827212   14.2126863    1.3703712  0.00    0.0003839   -0.0009584    0.0004810
 H   -5.9108917   15.2397450    1.7194742  0.00    0.0014388   -0.0023847   -0.0011384
 H   -6.7714055   13.8275426    1.1090403  0.00   -0.0011106    0.0001645   -0.0019039
 H   -5.1775093   14.2361765    0.4606782  0.00   -0.0011891    0.0016726    0.0014031
 C   -5.0654137   11.8976946    1.8916237  0.00   -0.0001860   -0.0002883   -0.0004224
 H   -4.4790026   11.8419959    0.9711811  0.00    0.0011705   -0.0013187    0.0007362
 H   -6.0732372   11.5490061    1.6576211  0.00   -0.0007547   -0.0017132   -0.0008168
 H   -4.6396655   11.2025829    2.6195713  0.00    0.0011804   -0.0007698   -0.0020639
 C    5.0003580   13.6253650    2.4494856  0.00   -0.0011525   -0.0005972   -0.0005230
 C    5.6125109   14.5698944    1.4081652  0.00   -0.0003218   -0.0012455    0.0003088
 H    6.6218769   14.2393271    1.1512556  0.00    0.0006282    0.0003120   -0.0018184
 H    5.6872824   15.5943910    1.7795841  0.00   -0.0014541   -0.0023720   -0.0013448
 H    5.0171640   14.5825234    0.4917701  0.00    0.0010729    0.0019091    0.0014079
 C    5.8673422   13.6361132    3.7141874  0.00   -0.0002588   -0.0005029   -0.0011475
 H    5.4533884   12.9751717    4.4795179  0.00    0.0013566    0.0019272   -0.0002040
 H    5.9528198   14.6374536    4.1417253  0.00   -0.0007575   -0.0019334   -0.0011652
 H    6.8772112   13.2919497    3.4779649  0.00    0.0018483   -0.0011176    0.0020812
 C    5.0129309   12.2111844    1.8760970  0.00   -0.0002930   -0.0000657   -0.0002395
 H    4.6211204   11.4792461    2.5867284  0.00   -0.0012280   -0.0006294   -0.0019577
 H    6.0406342   11.9237677    1.6452734  0.00    0.0007634   -0.0014165   -0.0007284
 H    4.4378957   12.1407745    0.9494776  0.00   -0.0013051   -0.0014515    0.0008489
 C   -3.1740874   17.9764246    4.2636989  0.00    0.0005271    0.0019371    0.0011962
 C   -3.9506565   18.1554637    5.4327651  0.00    0.0024410   -0.0011395   -0.0002055
 C   -4.8895005   19.1818664    5.4570192  0.00   -0.0013215    0.0003197    0.0006590
 H   -5.4952423   19.3219915    6.3443350  0.00   -0.0015254    0.0031684    0.0014185
 C   -5.0770329   20.0140232    4.3710969  0.00   -0.0018926    0.0010498    0.0013217
 H   -5.8200008   20.8020777    4.4109005  0.00    0.0000283   -0.0000586   -0.0003299
 C   -4.3158013   19.8364687    3.2308616  0.00    0.0001225    0.0014807   -0.0026525
 H   -4.4765100   20.4892974    2.3819921  0.00   -0.0003190    0.0035643    0.0016041
 C   -3.3595058   18.8309792    3.1472475  0.00    0.0027909   -0.0014004    0.0007623
 C   -2.6050171   18.6541424    1.8450987  0.00    0.0004157    0.0021030    0.0006266
 H   -1.7097164   18.0514873    2.0473868  0.00    0.0008930    0.0020053    0.0011310
 C   -3.4425734   17.8774811    0.8267151  0.00   -0.0002827   -0.0009289    0.0017124
 H   -3.7206481   16.8907304    1.1971471  0.00    0.0016062   -0.0013752    0.0013901
 H   -2.8844455   17.7483171   -0.1037512  0.00   -0.0020278   -0.0019487    0.0014074
 H   -4.3592962   18.4262356    0.5949834  0.00    0.0008156   -0.0009820   -0.0006995
 C   -2.1604161   19.9824532    1.2397651  0.00    0.0006001    0.0011557   -0.0011478
 H   -3.0113485   20.5644834    0.8810644  0.00   -0.0007858   -0.0010568   -0.0014864
 H   -1.5129729   19.8058381    0.3796203  0.00   -0.0002833   -0.0013649   -0.0016368
 H   -1.6163717   20.6042820    1.9546833  0.00   -0.0007490    0.0028241    0.0002806
 C   -3.8427108   17.2498903    6.6394897  0.00    0.0010332    0.0001775    0.0003094
 H   -2.9621931   16.6188230    6.5037572  0.00   -0.0005963   -0.0000469    0.0007776
 C   -5.0547668   16.3233922    6.7441905  0.00    0.0004179   -0.0002878   -0.0023120
 H   -5.9788497   16.8971856    6.8511214  0.00    0.0005823    0.0008356   -0.0004283
 H   -4.9615711   15.6768456    7.6202839  0.00   -0.0023095   -0.0003768   -0.0034003
 H   -5.1498950   15.6842967    5.8656995  0.00   -0.0003564   -0.0005275   -0.0003301
 C   -3.6787049   18.0386988    7.9379721  0.00    0.0016992   -0.0009353    0.0011513
 H   -2.8675993   18.7694112    7.8812506  0.00   -0.0001248    0.0012584    0.0009524
 H   -3.4668864   17.3623164    8.7693270  0.00   -0.0003584   -0.0035816   -0.0020742
 H   -4.5887969   18.5855250    8.1941093  0.00    0.0000096   -0.0009501    0.0002800
 C    2.7421567   18.1556460    4.2781682  0.00   -0.0024179   -0.0000014    0.0003412
 C    2.8869789   18.9889151    3.1414270  0.00   -0.0016042   -0.0000804   -0.0009146
 C    3.7424977   20.0817607    3.2200824  0.00   -0.0006175   -0.0003862   -0.0028986
 H    3.8690487   20.7207660    2.3541958  0.00    0.0003937    0.0026697    0.0007415
 C    4.4465052   20.3617161    4.3763430  0.00    0.0012846    0.0004335    0.0012029
 H    5.1096800   21.2179533    4.4153156  0.00    0.0009855    0.0008464   -0.0007324
 C    4.3095776   19.5403429    5.4788107  0.00    0.0001951    0.0002063    0.0014167
 H    4.8774676   19.7569748    6.3756557  0.00    0.0015200    0.0035125    0.0011270
 C    3.4728610   18.4289124    5.4586130  0.00   -0.0008134    0.0002305    0.0012480
 C    3.4321346   17.5297203    6.6742235  0.00   -0.0014986    0.0004229    0.0002049
 H    2.6006475   16.8342164    6.5443259  0.00    0.0006107    0.0001984    0.0009723
 C    4.7093706   16.6945419    6.7782820  0.00   -0.0000003    0.0000494   -0.0020930
 H    4.8468987   16.0583067    5.9031298  0.00   -0.0002039    0.0000807   -0.0013978
 H    4.6677249   16.0486283    7.6587522  0.00    0.0024126   -0.0003955   -0.0027634
 H    5.5893337   17.3354109    6.8763649  0.00   -0.0006548    0.0011961   -0.0004722
 C    3.2139471   18.3099506    7.9693179  0.00   -0.0014144   -0.0001610    0.0012823
 H    4.0854939   18.9157672    8.2267936  0.00   -0.0000465    0.0000623    0.0002023
 H    3.0450176   17.6233019    8.8020216  0.00    0.0015153   -0.0034959   -0.0017939
 H    2.3563852   18.9853041    7.9089450  0.00   -0.0009784    0.0009339    0.0010491
 C    2.1933926   18.7055363    1.8255814  0.00   -0.0010388    0.0004592    0.0007340
 H    1.4545581   17.9134562    1.9920248  0.00   -0.0006487    0.0013691    0.0012423
 C    1.4654577   19.9324400    1.2849812  0.00   -0.0009452    0.0006560   -0.0011332
 H    0.7575169   20.3449646    2.0087591  0.00    0.0006886    0.0015339    0.0007287
 H    0.9128125   19.6774101    0.3790158  0.00   -0.0003636   -0.0020186   -0.0016462
 H    2.1623160   20.7310984    1.0235435  0.00    0.0006395   -0.0011644   -0.0017143
 C    3.1847052   18.1810139    0.7857162  0.00    0.0011265   -0.0003141    0.0014209
 H    3.9516541   18.9297945    0.5718536  0.00   -0.0001065   -0.0007093   -0.0004294
 H    2.6680804   17.9541649   -0.1499180  0.00    0.0025050   -0.0015270    0.0015857
 H    3.6824111   17.2729082    1.1277399  0.00   -0.0016210   -0.0022634    0.0005216
 C   -0.1861300   16.9645676    7.1171420  0.00   -0.0003344   -0.0000270    0.0024631
 H    0.6705459   17.5009900    7.5606669  0.00   -0.0010357    0.0011189    0.0006272
 H   -1.0871298   17.4317118    7.5505420  0.00   -0.0000189    0.0019354    0.0003531
 C    1.4369264   14.3305577    7.2473036  0.00    0.0009800   -0.0005344    0.0000680
 H    1.5398445   14.3006580    6.1594860  0.00    0.0016451   -0.0018146   -0.0003124
 H    1.4214604   13.2967150    7.6046517  0.00   -0.0013136   -0.0008295    0.0018853
 H    2.3368392   14.7967233    7.6555634  0.00    0.0009073   -0.0000523    0.0016003
 C   -0.1292239   15.2681248    9.6858621  0.00    0.0001523   -0.0002153   -0.0008693
 H    0.7324702   15.8185025   10.0729870  0.00   -0.0000521   -0.0000823   -0.0002725
 H   -0.0927081   14.2584179   10.1048805  0.00    0.0000216    0.0014721    0.0032755
 H   -1.0311379   15.7529913   10.0690130  0.00    0.0003510   -0.0000123   -0.0006360
 C   -1.6136949   14.2215391    7.2412403  0.00   -0.0007156   -0.0008500   -0.0000815
 H   -2.5458345   14.6218918    7.6470765  0.00   -0.0004046   -0.0000469    0.0015105
 H   -1.5253925   13.1912497    7.5981905  0.00    0.0009715   -0.0014988    0.0015081
 H   -1.7109405   14.1852663    6.1531080  0.00   -0.0014303   -0.0019348   -0.0004398
129
 Energy =   -2867.2893014310
 O   -0.1327268   15.5623033    3.8321843  0.00    0.0009108   -0.0015139   -0.0005907
Th   -0.2007538   17.7693470    4.8689074  0.00    0.0001076    0.0017757   -0.0007387
Si   -0.1228838   15.2089085    7.8112524  0.00    0.0002467    0.0032241   -0.0001358
 N   -2.1748289   16.9603381    4.2021926  0.00   -0.0006186    0.0020294    0.0000361
 N    1.8210033   17.0690290    4.2274462  0.00    0.0023487    0.0002207   -0.0009261
 C   -2.5922571   13.1477942    2.6018621  0.00    0.0027674    0.0003751    0.0002653
 H   -2.6548337   12.1494431    2.1928739  0.00   -0.0020533    0.0008494   -0.0010814
 C   -3.7589187   13.8764909    2.7934826  0.00    0.0004087   -0.0011743   -0.0000429
 C   -3.6656781   15.1683890    3.3248472  0.00    0.0056944   -0.0002770   -0.0001944
 H   -4.5544000   15.7702833    3.4712649  0.00    0.0008179    0.0002335    0.0004756
 C   -2.4353510   15.7044681    3.6630785  0.00   -0.0060982   -0.0001504   -0.0014236
 C    2.1584728   15.8379140    3.6756476  0.00   -0.0065359    0.0033128    0.0022149
 C    3.4186114   15.3808551    3.3340948  0.00    0.0074838   -0.0015160   -0.0025725
 H    4.2699578   16.0332895    3.4880162  0.00   -0.0046796   -0.0014196    0.0001607
 C    3.5901431   14.0988219    2.7978087  0.00   -0.0056555   -0.0024665    0.0000568
 C    2.4695617   13.3016111    2.6028835  0.00    0.0019641    0.0006468   -0.0001564
 H    2.5930564   12.3102282    2.1908221  0.00    0.0014750    0.0004608   -0.0009534
 C   -0.0501225   12.8453144    2.7048081  0.00   -0.0009442    0.0030259    0.0000395
 C   -1.3246768   13.6522936    2.9192539  0.00   -0.0005091    0.0018897   -0.0001999
 C   -1.3049366   14.9154731    3.4519270  0.00   -0.0009552   -0.0008481   -0.0001921
 C    1.0766836   14.9852948    3.4562595  0.00    0.0039909   -0.0012870   -0.0008163
 C    1.1732966   13.7273199    2.9201257  0.00   -0.0028309    0.0035537    0.0010211
 C   -0.0152558   11.6861605    3.7143969  0.00   -0.0003282    0.0002394   -0.0003686
 H   -0.0266602   12.0572305    4.7409866  0.00    0.0000349    0.0003893    0.0002615
 H    0.8876506   11.0877170    3.5775972  0.00    0.0024862   -0.0001337   -0.0007823
 H   -0.8802690   11.0340924    3.5774049  0.00   -0.0018244    0.0002194   -0.0007989
 C   -0.0329484   12.2804917    1.2782936  0.00   -0.0005214   -0.0003491   -0.0003967
 H   -0.8907512   11.6295052    1.1070586  0.00   -0.0022045    0.0001798    0.0025091
 H    0.8625389   11.6824349    1.1074228  0.00    0.0030026   -0.0001704    0.0022473
 H   -0.0570313   13.0807762    0.5365964  0.00   -0.0000344    0.0024128    0.0021587
 C   -5.1362314   13.3198862    2.4369538  0.00    0.0031391   -0.0008487    0.0000838
 C   -6.0214656   13.3064979    3.6887818  0.00   -0.0014927   -0.0011189   -0.0040730
 H   -5.5828139   12.6858969    4.4739576  0.00   -0.0008621    0.0037388   -0.0005024
 H   -7.0060283   12.9000202    3.4450846  0.00   -0.0022262   -0.0016995    0.0019277
 H   -6.1723603   14.3097933    4.0929003  0.00    0.0020911   -0.0029452    0.0000667
 C   -5.7822142   14.2115503    1.3694183  0.00   -0.0018416   -0.0034685    0.0021997
 H   -5.9107793   15.2385302    1.7187107  0.00    0.0029484   -0.0025005   -0.0024050
 H   -6.7710911   13.8261473    1.1091234  0.00   -0.0010521    0.0000709   -0.0025878
 H   -5.1778542   14.2345299    0.4591169  0.00   -0.0008804    0.0028797    0.0026580
 C   -5.0632363   11.8966457    1.8908653  0.00   -0.0019782    0.0008979    0.0001617
 H   -4.4767708   11.8413978    0.9703129  0.00    0.0005880   -0.0017082    0.0026793
 H   -6.0708602   11.5474210    1.6568794  0.00   -0.0010961   -0.0022166   -0.0012995
 H   -4.6373479   11.2018141    2.6191837  0.00    0.0010233    0.0007137   -0.0039744
 C    4.9995141   13.6242278    2.4486331  0.00   -0.0009893    0.0001730    0.0001107
 C    5.6120909   14.5684863    1.4071611  0.00    0.0019205   -0.0030836    0.0020090
 H    6.6216632   14.2376489    1.1513557  0.00    0.0006275    0.0002180   -0.0026188
 H    5.6872223   15.5929954    1.7786755  0.00   -0.0029590   -0.0030931   -0.0027585
 H    5.0176261   14.5805867    0.4901343  0.00    0.0008704    0.0029833    0.0029452
 C    5.8667866   13.6347825    3.7132672  0.00    0.0017636   -0.0008082   -0.0039206
 H    5.4536197   12.9731734    4.4785130  0.00    0.0007870    0.0040187   -0.0003884
 H    5.9526092   14.6362955    4.1404852  0.00   -0.0019926   -0.0035583   -0.0001119
 H    6.8766600   13.2910307    3.4763920  0.00    0.0019520   -0.0015986    0.0021286
 C    5.0106271   12.2098792    1.8754088  0.00    0.0021024    0.0003741   -0.0000677
 H    4.6185861   11.4782072    2.5863714  0.00   -0.0010952    0.0009834   -0.0036008
 H    6.0381398   11.9217705    1.6445573  0.00    0.0007662   -0.0017939   -0.0011685
 H    4.4354804   12.1399210    0.9487016  0.00   -0.0006254   -0.0016557    0.0028045
 C   -3.1724217   17.9765503    4.2638722  0.00   -0.0006798    0.0002707   -0.0028117
 C   -3.9487995   18.1555550    5.4327928  0.00    0.0022527   -0.0021549    0.0052838
 C   -4.8858488   19.1834552    5.4584344  0.00   -0.0031252    0.0030265   -0.0031211
 H   -5.4911512   19.3240391    6.3460089  0.00   -0.0009282    0.0028849    0.0011254
 C   -5.0720177   20.0170105    4.3731902  0.00    0.0032918   -0.0028235    0.0026074
 H   -5.8122623   20.8071110    4.4144303  0.00   -0.0049638    0.0029318   -0.0007582
 C   -4.3115966   19.8389598    3.2323767  0.00   -0.0018223    0.0007965   -0.0000477
 H   -4.4715291   20.4929108    2.3842140  0.00    0.0001545    0.0031841    0.0018030
 C   -3.3571731   18.8317831    3.1478073  0.00    0.0031736    0.0002570    0.0011806
 C   -2.6026297   18.6549196    1.8458969  0.00    0.0024789    0.0013157    0.0002320
 H   -1.7068766   18.0533681    2.0486993  0.00    0.0030022    0.0000923    0.0017921
 C   -3.4385386   17.8767839    0.8272261  0.00    0.0010034    0.0010334    0.0019438
 H   -3.7154467   16.8896610    1.1975031  0.00    0.0011696   -0.0010737    0.0013920
 H   -2.8791444   17.7485715   -0.1026373  0.00   -0.0029791   -0.0026924    0.0013519
 H   -4.3555768   18.4246015    0.5945790  0.00    0.0001093   -0.0017100   -0.0006660
 C   -2.1589819   19.9831475    1.2399747  0.00   -0.0000872    0.0023980   -0.0010814
 H   -3.0107073   20.5629933    0.8801508  0.00   -0.0025331    0.0017878   -0.0030165
 H   -1.5110611   19.8066218    0.3801857  0.00    0.0004684   -0.0009999   -0.0007354
 H   -1.6167370   20.6070025    1.9547064  0.00   -0.0011259    0.0002530   -0.0013997
 C   -3.8412055   17.2491457    6.6389087  0.00    0.0012473    0.0011216    0.0010298
 H   -2.9611291   16.6179168    6.5029222  0.00    0.0023914   -0.0017924   -0.0005842
 C   -5.0532438   16.3226166    6.7439024  0.00    0.0007433    0.0018742   -0.0009522
 H   -5.9771756   16.8966947    6.8506721  0.00    0.0000051   -0.0000103   -0.0008647
 H   -4.9597515   15.6769251    7.6206197  0.00   -0.0029831   -0.0006309   -0.0038663
 H   -5.1483270   15.6826902    5.8660310  0.00   -0.0004311    0.0000536   -0.0007488
 C   -3.6765616   18.0371830    7.9377647  0.00   -0.0016948    0.0007155    0.0010282
 H   -2.8665805   18.7692707    7.8814905  0.00    0.0003580   -0.0013730    0.0003716
 H   -3.4644232   17.3602646    8.7685320  0.00    0.0011339   -0.0033287   -0.0014024
 H   -4.5870605   18.5829583    8.1944005  0.00   -0.0013620   -0.0002248    0.0015689
 C    2.7403653   18.1557017    4.2781645  0.00    0.0023838    0.0012282   -0.0010798
 C    2.8847366   18.9894548    3.1415991  0.00   -0.0048102   -0.0028228    0.0015217
 C    3.7383993   20.0835272    3.2210250  0.00    0.0003761    0.0012278   -0.0066651
 H    3.8644459   20.7232575    2.3554011  0.00   -0.0001574    0.0010656    0.0030830
 C    4.4411786   20.3640412    4.3777749  0.00    0.0042643    0.0066049    0.0026577
 H    5.1019773   21.2221304    4.4179721  0.00    0.0015384   -0.0003921   -0.0018024
 C    4.3054456   19.5422006    5.4798624  0.00    0.0008208   -0.0022689    0.0026005
 H    4.8725425   19.7592649    6.3771253  0.00    0.0014944    0.0041368    0.0003870
 C    3.4708116   18.4293297    5.4586341  0.00   -0.0038186   -0.0017737    0.0021794
 C    3.4304653   17.5294940    6.6735976  0.00   -0.0012860    0.0009003    0.0043409
 H    2.5996300   16.8336281    6.5437998  0.00   -0.0031691   -0.0017136   -0.0012389
 C    4.7077037   16.6943635    6.7780838  0.00   -0.0001606    0.0020765   -0.0010016
 H    4.8451289   16.0572758    5.9036154  0.00    0.0000084    0.0000184   -0.0024472
 H    4.6660404   16.0493173    7.6592140  0.00    0.0025602   -0.0002909   -0.0031702
 H    5.5874529   17.3355066    6.8756518  0.00    0.0008075    0.0010293   -0.0005951
 C    3.2115275   18.3090377    7.9689895  0.00    0.0018775    0.0014818    0.0015494
 H    4.0830377   18.9146236    8.2266170  0.00    0.0022182    0.0012564    0.0013957
 H    3.0431174   17.6220916    8.8015027  0.00   -0.0001730   -0.0036688   -0.0017664
 H    2.3545171   18.9851695    7.9091167  0.00   -0.0019406   -0.0012987    0.0004230
 C    2.1910355   18.7055694    1.8261945  0.00   -0.0013049    0.0029395   -0.0021688
 H    1.4514727   17.9145690    1.9933719  0.00   -0.0019881   -0.0014421    0.0016075
 C    1.4641009   19.9325690    1.2845926  0.00   -0.0009514    0.0012632   -0.0009561
 H    0.7577263   20.3478300    2.0084108  0.00    0.0009333    0.0000430   -0.0000959
 H    0.9104741   19.6770138    0.3793946  0.00   -0.0009994   -0.0021106   -0.0010958
 H    2.1620882   20.7293484    1.0211375  0.00    0.0019832    0.0015229   -0.0026629
 C    3.1812560   18.1793690    0.7860591  0.00   -0.0011472    0.0003741    0.0018223
 H    3.9493879   18.9268533    0.5717696  0.00   -0.0002194   -0.0012893    0.0002551
 H    2.6633840   17.9537490   -0.1491936  0.00    0.0035020   -0.0019948    0.0012108
 H    3.6770162   17.2701686    1.1277696  0.00   -0.0002134   -0.0026701    0.0005415
 C   -0.1861624   16.9642534    7.1163318  0.00   -0.0011878    0.0018781    0.0009354
 H    0.6702139   17.5018399    7.5589050  0.00   -0.0008839    0.0009980    0.0021196
 H   -1.0876388   17.4317999    7.5483150  0.00    0.0005115    0.0018547    0.0014650
 C    1.4371809   14.3311010    7.2488722  0.00    0.0001880   -0.0014716    0.0006988
 H    1.5404085   14.3013135    6.1611297  0.00    0.0023870   -0.0020391   -0.0010250
 H    1.4215452   13.2972176    7.6061980  0.00   -0.0011376   -0.0002338    0.0016905
 H    2.3367712   14.7974129    7.6577014  0.00    0.0007628   -0.0002796    0.0011784
 C   -0.1294492   15.2710009    9.6860861  0.00    0.0003091   -0.0029609    0.0016650
 H    0.7321205   15.8213938   10.0732440  0.00    0.0011411    0.0010282   -0.0008098
 H   -0.0930597   14.2617436   10.1061383  0.00    0.0000771    0.0004959    0.0034724
 H   -1.0312763   15.7559775   10.0690611  0.00   -0.0009934    0.0010655   -0.0010863
 C   -1.6139640   14.2222656    7.2426273  0.00    0.0001255   -0.0022015    0.0004765
 H   -2.5457631   14.6228225    7.6490170  0.00   -0.0004974   -0.0001469    0.0012283
 H   -1.5256159   13.1919054    7.5994736  0.00    0.0007694   -0.0008920    0.0013042
 H   -1.7115080   14.1861613    6.1545706  0.00   -0.0021084   -0.0021985   -0.0012588
129
 Energy =   -2867.2893052240
 O   -0.1327105   15.5623426    3.8319931  0.00    0.0002501   -0.0008607    0.0001418
Th   -0.2006996   17.7695991    4.8690286  0.00   -0.0001588    0.0004307   -0.0020908
Si   -0.1228762   15.2091437    7.8113773  0.00    0.0002011    0.0015463    0.0005788
 N   -2.1745108   16.9603038    4.2021843  0.00   -0.0008387    0.0008910   -0.0006580
 N    1.8207730   17.0688920    4.2274642  0.00    0.0023486    0.0021565   -0.0004118
 C   -2.5919985   13.1476850    2.6016801  0.00    0.0008994    0.0004283    0.0001784
 H   -2.6544927   12.1492651    2.1928081  0.00   -0.0019112    0.0013179   -0.0010072
 C   -3.7586668   13.8763579    2.7932669  0.00    0.0015885   -0.0008394    0.0004100
 C   -3.6652856   15.1682430    3.3247586  0.00    0.0005680   -0.0008922   -0.0014016
 H   -4.5540195   15.7701070    3.4709799  0.00    0.0000321    0.0005509    0.0007519
 C   -2.4352300   15.7044773    3.6630506  0.00   -0.0027233   -0.0000756   -0.0011719
 C    2.1582423   15.8379441    3.6756860  0.00   -0.0009638    0.0002649    0.0000769
 C    3.4184430   15.3806206    3.3340046  0.00    0.0022963   -0.0000019   -0.0017963
 H    4.2694865   16.0331222    3.4877823  0.00   -0.0010868    0.0002347    0.0006639
 C    3.5898871   14.0986852    2.7976384  0.00   -0.0034032   -0.0030664   -0.0002716
 C    2.4693722   13.3014928    2.6026880  0.00    0.0007010    0.0010210    0.0003452
 H    2.5926991   12.3100303    2.1907537  0.00    0.0015616    0.0009039   -0.0009351
 C   -0.0501275   12.8455088    2.7047125  0.00   -0.0005208    0.0004860   -0.0007561
 C   -1.3246214   13.6523866    2.9190908  0.00    0.0010428    0.0017490    0.0001866
 C   -1.3048739   14.9155289    3.4518007  0.00    0.0000134   -0.0010408   -0.0000667
 C    1.0766511   14.9853563    3.4561563  0.00    0.0019375   -0.0015677   -0.0006092
 C    1.1732396   13.7274419    2.9199773  0.00   -0.0027689    0.0018867    0.0006066
 C   -0.0152370   11.6864035    3.7146555  0.00   -0.0000846    0.0013772   -0.0008592
 H   -0.0266259   12.0579992    4.7411461  0.00    0.0000334   -0.0001119   -0.0009122
 H    0.8879005   11.0880425    3.5781955  0.00    0.0005085    0.0003395   -0.0009715
 H   -0.8804626   11.0343970    3.5780532  0.00   -0.0001636    0.0006162   -0.0010368
 C   -0.0329333   12.2807777    1.2779735  0.00   -0.0001142    0.0004598    0.0008837
 H   -0.8909540   11.6300484    1.1066230  0.00   -0.0008818   -0.0001908    0.0024984
 H    0.8627916   11.6829880    1.1069587  0.00    0.0012275   -0.0003315    0.0024580
 H   -0.0570025   13.0812718    0.5364082  0.00   -0.0000874    0.0019679    0.0030000
 C   -5.1358151   13.3195746    2.4366631  0.00    0.0004778   -0.0013776   -0.0001536
 C   -6.0212853   13.3060931    3.6883317  0.00   -0.0009875   -0.0011344   -0.0025954
 H   -5.5828270   12.6854819    4.4736136  0.00   -0.0005444    0.0037226   -0.0005945
 H   -7.0059355   12.8997258    3.4448245  0.00   -0.0019860   -0.0017699    0.0009795
 H   -6.1720983   14.3093701    4.0924903  0.00    0.0020461   -0.0026158    0.0001400
 C   -5.7821389   14.2110545    1.3691821  0.00   -0.0008160   -0.0025692    0.0011941
 H   -5.9106262   15.2380466    1.7183797  0.00    0.0027843   -0.0020280   -0.0019477
 H   -6.7710646   13.8257707    1.1089652  0.00   -0.0011229   -0.0005376   -0.0021745
 H   -5.1780201   14.2341982    0.4587196  0.00   -0.0006285    0.0025094    0.0027120
 C   -5.0625297   11.8963209    1.8906078  0.00   -0.0008769    0.0006845   -0.0000254
 H   -4.4758344   11.8411940    0.9701619  0.00   -0.0000496   -0.0016300    0.0027395
 H   -6.0700094   11.5467341    1.6565625  0.00   -0.0010958   -0.0019548   -0.0013223
 H   -4.6363777   11.2016263    2.6189192  0.00    0.0006206    0.0008045   -0.0038336
 C    4.9991892   13.6238634    2.4483557  0.00    0.0000289   -0.0004311    0.0000373
 C    5.6120348   14.5679281    1.4069078  0.00    0.0010790   -0.0024982    0.0009678
 H    6.6216403   14.2371937    1.1512098  0.00    0.0009144   -0.0003301   -0.0023680
 H    5.6870757   15.5924412    1.7782828  0.00   -0.0027556   -0.0023101   -0.0021394
 H    5.0178154   14.5801825    0.4897252  0.00    0.0005483    0.0025178    0.0029515
 C    5.8666971   13.6343395    3.7128197  0.00    0.0013108   -0.0011170   -0.0025968
 H    5.4537581   12.9727512    4.4782169  0.00    0.0003979    0.0040116   -0.0005961
 H    5.9524779   14.6358214    4.1400439  0.00   -0.0019398   -0.0029902    0.0000597
 H    6.8766245   13.2906684    3.4761050  0.00    0.0018736   -0.0016743    0.0012132
 C    5.0098790   12.2094677    1.8751760  0.00    0.0007793    0.0003924   -0.0000586
 H    4.6175213   11.4779457    2.5861381  0.00   -0.0006058    0.0011518   -0.0034130
 H    6.0372246   11.9209697    1.6442603  0.00    0.0012815   -0.0018503   -0.0013831
 H    4.4344571   12.1396295    0.9485983  0.00    0.0000741   -0.0014652    0.0028391
 C   -3.1717751   17.9766114    4.2639025  0.00   -0.0041690    0.0017764   -0.0007289
 C   -3.9482018   18.1555512    5.4329771  0.00    0.0037626   -0.0012404    0.0014303
 C   -4.8847697   19.1839294    5.4587867  0.00   -0.0028970    0.0011029    0.0017505
 H   -5.4899296   19.3248531    6.3465789  0.00    0.0002639    0.0023621   -0.0009314
 C   -5.0702995   20.0178020    4.3738620  0.00   -0.0015560    0.0018759    0.0019699
 H   -5.8100517   20.8086004    4.4154325  0.00   -0.0029910    0.0005997   -0.0008906
 C   -4.3103087   19.8396382    3.2328910  0.00   -0.0013088    0.0032706   -0.0032180
 H   -4.4699967   20.4942378    2.3849841  0.00    0.0006277    0.0011957    0.0036866
 C   -3.3563733   18.8321121    3.1479641  0.00    0.0041924   -0.0008103    0.0019854
 C   -2.6017690   18.6552303    1.8461406  0.00    0.0023288    0.0015154    0.0002281
 H   -1.7058315   18.0540688    2.0491382  0.00    0.0035135   -0.0003351    0.0018537
 C   -3.4372715   17.8765355    0.8275631  0.00    0.0007801   -0.0001303    0.0020715
 H   -3.7137976   16.8892201    1.1978395  0.00    0.0012459    0.0003979    0.0013455
 H   -2.8777328   17.7483777   -0.1021602  0.00   -0.0022186   -0.0027616    0.0006201
 H   -4.3544068   18.4239676    0.5944551  0.00   -0.0002804   -0.0017057   -0.0000935
 C   -2.1585833   19.9834768    1.2399072  0.00   -0.0010145    0.0018590   -0.0015411
 H   -3.0107339   20.5624319    0.8796493  0.00   -0.0021493    0.0023384   -0.0031924
 H   -1.5105217   19.8067842    0.3802213  0.00    0.0004969   -0.0002815   -0.0000160
 H   -1.6170016   20.6080519    1.9545747  0.00   -0.0011344   -0.0004082   -0.0021690
 C   -3.8406586   17.2488812    6.6387460  0.00    0.0003853    0.0011267    0.0018635
 H   -2.9607858   16.6174772    6.5027403  0.00    0.0033237   -0.0018580   -0.0011242
 C   -5.0527833   16.3224341    6.7436425  0.00    0.0003797    0.0017112   -0.0009117
 H   -5.9766347   16.8965987    6.8504198  0.00   -0.0004027    0.0001057   -0.0012111
 H   -4.9594666   15.6768400    7.6203908  0.00   -0.0026559   -0.0009485   -0.0029747
 H   -5.1479405   15.6821865    5.8659822  0.00   -0.0001837    0.0010100   -0.0008765
 C   -3.6759343   18.0366710    7.9377684  0.00   -0.0020348   -0.0004006    0.0010173
 H   -2.8663052   18.7692105    7.8816907  0.00    0.0003685   -0.0023804    0.0003282
 H   -3.4636614   17.3592862    8.7681615  0.00    0.0013884   -0.0021359   -0.0012724
 H   -4.5865973   18.5820251    8.1945317  0.00   -0.0019693    0.0000420    0.0021921
 C    2.7398165   18.1558266    4.2781842  0.00    0.0013457   -0.0018524   -0.0012103
 C    2.8838814   18.9894916    3.1416448  0.00   -0.0014001    0.0025308    0.0010120
 C    3.7372006   20.0839983    3.2211373  0.00    0.0009101   -0.0000046   -0.0003185
 H    3.8631143   20.7240735    2.3558692  0.00   -0.0003411    0.0013613    0.0014210
 C    4.4396204   20.3648866    4.3782637  0.00   -0.0003988    0.0000265    0.0012333
 H    5.0997322   21.2232302    4.4186827  0.00    0.0037486    0.0023268   -0.0016418
 C    4.3041751   19.5426782    5.4803197  0.00    0.0004059   -0.0000199   -0.0010611
 H    4.8710508   19.7601930    6.3776203  0.00    0.0012044    0.0034210    0.0005235
 C    3.4700150   18.4293806    5.4587089  0.00   -0.0013930    0.0011194    0.0034399
 C    3.4298946   17.5294303    6.6735314  0.00   -0.0022978   -0.0007263    0.0033780
 H    2.5992750   16.8332922    6.5437198  0.00   -0.0033917   -0.0012046   -0.0013916
 C    4.7071983   16.6943757    6.7778346  0.00    0.0007004    0.0023188   -0.0009964
 H    4.8446170   16.0570309    5.9035001  0.00   -0.0002579    0.0009735   -0.0022102
 H    4.6658213   16.0494294    7.6590194  0.00    0.0022203   -0.0004072   -0.0026427
 H    5.5868576   17.3356657    6.8752950  0.00    0.0010097    0.0008025   -0.0009122
 C    3.2108176   18.3087529    7.9689674  0.00    0.0024645    0.0015178    0.0020804
 H    4.0823564   18.9143001    8.2265492  0.00    0.0023778    0.0012965    0.0019092
 H    3.0426850   17.6214106    8.8012400  0.00   -0.0006091   -0.0026405   -0.0016333
 H    2.3538531   18.9850644    7.9093237  0.00   -0.0014640   -0.0025494    0.0004596
 C    2.1902503   18.7056569    1.8263077  0.00   -0.0030264    0.0001881   -0.0012838
 H    1.4504051   17.9148881    1.9938651  0.00   -0.0013746   -0.0009435    0.0008503
 C    1.4636427   19.9326030    1.2843354  0.00    0.0002010    0.0023093   -0.0011528
 H    0.7578957   20.3488176    2.0082691  0.00    0.0010143   -0.0004264   -0.0009022
 H    0.9097112   19.6766814    0.3794052  0.00   -0.0011775   -0.0016183   -0.0004960
 H    2.1621774   20.7286982    1.0201381  0.00    0.0012073    0.0016361   -0.0027973
 C    3.1802118   18.1788064    0.7863214  0.00   -0.0002363   -0.0006898    0.0017189
 H    3.9487422   18.9258347    0.5717800  0.00   -0.0002216   -0.0015798    0.0009113
 H    2.6622296   17.9534436   -0.1488498  0.00    0.0027187   -0.0021709    0.0001052
 H    3.6753295   17.2691318    1.1279119  0.00   -0.0003336   -0.0013005    0.0006618
 C   -0.1862413   16.9641429    7.1161355  0.00   -0.0007527    0.0030073   -0.0002730
 H    0.6700643   17.5022038    7.5582728  0.00   -0.0009628    0.0007547    0.0026592
 H   -1.0878418   17.4319678    7.5474802  0.00    0.0002592    0.0017896    0.0022043
 C    1.4373261   14.3311537    7.2494138  0.00    0.0000379   -0.0003894    0.0003672
 H    1.5407630   14.3013137    6.1616464  0.00    0.0025115   -0.0021025   -0.0002509
 H    1.4214747   13.2973232    7.6068587  0.00   -0.0009658   -0.0002816    0.0016636
 H    2.3368156   14.7975695    7.6585101  0.00    0.0000327   -0.0008924    0.0006740
 C   -0.1294967   15.2717834    9.6861686  0.00    0.0002470   -0.0017074    0.0025514
 H    0.7320315   15.8222897   10.0733122  0.00    0.0010550    0.0010748   -0.0012238
 H   -0.0931616   14.2628391   10.1067801  0.00    0.0001279   -0.0009076    0.0035046
 H   -1.0313080   15.7569120   10.0690377  0.00   -0.0009333    0.0011262   -0.0014215
 C   -1.6140813   14.2223257    7.2430942  0.00    0.0002311   -0.0011587    0.0003359
 H   -2.5457591   14.6230577    7.6497578  0.00    0.0002474   -0.0007555    0.0007320
 H   -1.5256232   13.1919992    7.6000043  0.00    0.0006373   -0.0008276    0.0012614
 H   -1.7118327   14.1862301    6.1550152  0.00   -0.0021987   -0.0022776   -0.0005732
129
 Energy =   -2867.2893113350
 O   -0.1326980   15.5623123    3.8318480  0.00    0.0002991    0.0005961    0.0010275
Th   -0.2006517   17.7699580    4.8690351  0.00   -0.0005071   -0.0013777   -0.0029396
Si   -0.1228703   15.2094286    7.8113970  0.00   -0.0001211   -0.0014760    0.0011508
 N   -2.1742851   16.9604265    4.2021640  0.00   -0.0015946   -0.0020341   -0.0016073
 N    1.8206737   17.0689462    4.2274786  0.00    0.0009359    0.0001245   -0.0001954
 C   -2.5917711   13.1475887    2.6015358  0.00    0.0001367    0.0010879    0.0000834
 H   -2.6545368   12.1492487    2.1926306  0.00   -0.0007237    0.0005837   -0.0011021
 C   -3.7583387   13.8761881    2.7931443  0.00   -0.0014664   -0.0022047   -0.0004218
 C   -3.6648414   15.1679907    3.3246398  0.00   -0.0062746    0.0020612   -0.0011180
 H   -4.5535477   15.7699084    3.4708325  0.00   -0.0007205    0.0001845    0.0006138
 C   -2.4352143   15.7045580    3.6629637  0.00    0.0044644   -0.0002852   -0.0000054
 C    2.1580258   15.8380260    3.6757243  0.00    0.0049566   -0.0025595   -0.0019333
 C    3.4182037   15.3802967    3.3338502  0.00   -0.0026984    0.0030597    0.0001467
 H    4.2688688   16.0329521    3.4876597  0.00    0.0027551    0.0012747    0.0007026
 C    3.5894819   14.0983812    2.7974984  0.00    0.0059108    0.0004919   -0.0000093
 C    2.4692315   13.3014424    2.6025491  0.00   -0.0053232   -0.0030757   -0.0006817
 H    2.5926747   12.3099257    2.1905876  0.00    0.0005804    0.0020099   -0.0003376
 C   -0.0501662   12.8457697    2.7046575  0.00   -0.0003111   -0.0026724   -0.0006885
 C   -1.3245465   13.6525860    2.9189485  0.00    0.0012455   -0.0017475   -0.0003395
 C   -1.3048066   14.9155650    3.4516980  0.00   -0.0006247    0.0021037    0.0007861
 C    1.0767049   14.9853737    3.4560575  0.00   -0.0030560    0.0004123    0.0006602
 C    1.1730485   13.7276154    2.9198497  0.00    0.0018019   -0.0016105   -0.0006298
 C   -0.0152293   11.6865752    3.7148089  0.00    0.0003447    0.0020606   -0.0012666
 H   -0.0266070   12.0585247    4.7412444  0.00    0.0000273   -0.0005387   -0.0017555
 H    0.8882423   11.0883479    3.5785694  0.00   -0.0026279    0.0012608   -0.0010188
 H   -0.8807502   11.0346870    3.5784576  0.00    0.0023502    0.0012723   -0.0011294
 C   -0.0329282   12.2809947    1.2778250  0.00    0.0004883    0.0009027    0.0019249
 H   -0.8913064   11.6305214    1.1066002  0.00    0.0017980    0.0000912    0.0020123
 H    0.8631946   11.6834721    1.1069083  0.00   -0.0022193    0.0002759    0.0022654
 H   -0.0569903   13.0818659    0.5365714  0.00   -0.0001070    0.0007046    0.0030620
 C   -5.1355635   13.3192252    2.4364448  0.00   -0.0019080   -0.0011950   -0.0003481
 C   -6.0213460   13.3057226    3.6877816  0.00   -0.0004366   -0.0004379    0.0006421
 H   -5.5829371   12.6857165    4.4733823  0.00    0.0005531    0.0009436    0.0003921
 H   -7.0061939   12.8993363    3.4449001  0.00   -0.0006384   -0.0011890   -0.0003421
 H   -6.1717101   14.3088728    4.0921914  0.00    0.0007487   -0.0005997   -0.0005097
 C   -5.7822294   14.2104798    1.3691412  0.00    0.0000055    0.0000784   -0.0008495
 H   -5.9101986   15.2375280    1.7180110  0.00    0.0010552   -0.0005258    0.0001678
 H   -6.7712416   13.8255400    1.1085450  0.00   -0.0000435   -0.0008728   -0.0008453
 H   -5.1782006   14.2343927    0.4588058  0.00    0.0008611    0.0005373    0.0002556
 C   -5.0622425   11.8960855    1.8903844  0.00   -0.0009892   -0.0006531   -0.0006225
 H   -4.4751496   11.8408861    0.9703458  0.00   -0.0001044   -0.0009926   -0.0001183
 H   -6.0696553   11.5460427    1.6562047  0.00    0.0007974   -0.0008462   -0.0008154
 H   -4.6356221   11.2015454    2.6183493  0.00    0.0002890   -0.0008054   -0.0010945
 C    4.9990415   13.6235327    2.4481541  0.00    0.0003651   -0.0018978   -0.0004848
 C    5.6121515   14.5673382    1.4068431  0.00   -0.0001130   -0.0000948   -0.0007688
 H    6.6217899   14.2369471    1.1507848  0.00    0.0004230   -0.0008124   -0.0012569
 H    5.6866482   15.5918598    1.7778571  0.00   -0.0009778   -0.0001515    0.0002210
 H    5.0179828   14.5803561    0.4898279  0.00   -0.0010275    0.0004182    0.0002051
 C    5.8668358   13.6339648    3.7122877  0.00    0.0002819   -0.0004345    0.0004366
 H    5.4539191   12.9730163    4.4780406  0.00   -0.0007250    0.0009837    0.0003469
 H    5.9521760   14.6352650    4.1397338  0.00   -0.0006307   -0.0004294   -0.0003311
 H    6.8769144   13.2902502    3.4762086  0.00    0.0009851   -0.0012604   -0.0002234
 C    5.0095652   12.2091885    1.8749789  0.00    0.0011966   -0.0001614   -0.0003747
 H    4.6167051   11.4778609    2.5856342  0.00   -0.0001475   -0.0005195   -0.0007024
 H    6.0368420   11.9202351    1.6439163  0.00   -0.0003162   -0.0011995   -0.0010334
 H    4.4337087   12.1392758    0.9488312  0.00    0.0001294   -0.0007568   -0.0000543
 C   -3.1714492   17.9767368    4.2639930  0.00   -0.0021405    0.0015047   -0.0002306
 C   -3.9475918   18.1555853    5.4332239  0.00   -0.0009134    0.0024217    0.0007820
 C   -4.8842542   19.1841403    5.4591374  0.00    0.0011181    0.0008246    0.0000129
 H   -5.4892784   19.3256115    6.3469003  0.00    0.0001783    0.0013323   -0.0003763
 C   -5.0693824   20.0182958    4.3743089  0.00   -0.0021282    0.0014303   -0.0012282
 H   -5.8091782   20.8091897    4.4157760  0.00   -0.0016873   -0.0003358   -0.0003577
 C   -4.3095905   19.8401682    3.2330077  0.00    0.0022805   -0.0021285    0.0050657
 H   -4.4690693   20.4952280    2.3857206  0.00    0.0003682    0.0027373    0.0000790
 C   -3.3555299   18.8323617    3.1481596  0.00   -0.0024347    0.0054871    0.0008288
 C   -2.6009739   18.6556229    1.8463170  0.00    0.0021584   -0.0005489    0.0007622
 H   -1.7048197   18.0546174    2.0494921  0.00    0.0024320    0.0009410    0.0008412
 C   -3.4365102   17.8763629    0.8281374  0.00    0.0002965   -0.0003971    0.0006501
 H   -3.7127477   16.8889658    1.1984252  0.00    0.0009713    0.0009939    0.0022884
 H   -2.8773723   17.7478826   -0.1016938  0.00   -0.0003113   -0.0024877   -0.0002095
 H   -4.3537230   18.4234944    0.5944882  0.00   -0.0001797   -0.0017454    0.0014415
 C   -2.1584085   19.9839321    1.2396500  0.00   -0.0026185    0.0001312   -0.0022085
 H   -3.0110169   20.5621882    0.8789944  0.00   -0.0002572    0.0015714   -0.0025727
 H   -1.5101986   19.8068550    0.3801086  0.00    0.0002259    0.0008925    0.0005412
 H   -1.6173021   20.6089024    1.9542870  0.00   -0.0008048    0.0001775   -0.0026115
 C   -3.8401826   17.2487826    6.6388341  0.00    0.0013684   -0.0010711   -0.0006110
 H   -2.9603648   16.6170300    6.5027279  0.00    0.0014253    0.0002549   -0.0004807
 C   -5.0524887   16.3225559    6.7432288  0.00   -0.0005806   -0.0000735   -0.0010500
 H   -5.9762668   16.8967274    6.8500743  0.00   -0.0010095    0.0009052   -0.0017390
 H   -4.9597589   15.6766885    7.6197250  0.00   -0.0016473   -0.0013280   -0.0010498
 H   -5.1477767   15.6820669    5.8657089  0.00    0.0003385    0.0025176   -0.0012928
 C   -3.6756767   18.0363465    7.9379481  0.00   -0.0008066   -0.0011414    0.0008950
 H   -2.8661457   18.7691075    7.8819763  0.00   -0.0005374   -0.0032287    0.0007667
 H   -3.4631177   17.3583400    8.7677839  0.00    0.0010587   -0.0006297   -0.0004358
 H   -4.5865262   18.5813863    8.1947992  0.00   -0.0014612   -0.0003936    0.0025949
 C    2.7395238   18.1558472    4.2782546  0.00    0.0005117    0.0003847   -0.0021366
 C    2.8831307   18.9896303    3.1416901  0.00    0.0025271    0.0049424    0.0013326
 C    3.7366096   20.0842114    3.2211557  0.00   -0.0012128   -0.0014010    0.0050024
 H    3.8623677   20.7246667    2.3562842  0.00   -0.0001889    0.0017509   -0.0005163
 C    4.4386989   20.3652694    4.3786122  0.00    0.0004093   -0.0003044   -0.0023504
 H    5.0989360   21.2237289    4.4188231  0.00    0.0018201    0.0002145   -0.0009072
 C    4.3033808   19.5428650    5.4806007  0.00    0.0036588    0.0051830    0.0022977
 H    4.8703604   19.7610980    6.3780065  0.00   -0.0017480    0.0011356   -0.0029212
 C    3.4693558   18.4295742    5.4589630  0.00   -0.0011914   -0.0017497    0.0039997
 C    3.4292861   17.5293233    6.6738039  0.00    0.0006140    0.0018236   -0.0015121
 H    2.5988481   16.8329632    6.5437658  0.00   -0.0031873   -0.0003567   -0.0005062
 C    4.7069483   16.6946317    6.7774114  0.00    0.0000923   -0.0000145   -0.0010348
 H    4.8442912   16.0571363    5.9030211  0.00   -0.0006395    0.0030074   -0.0011883
 H    4.6661437   16.0494255    7.6584000  0.00    0.0017920   -0.0005407   -0.0017573
 H    5.5864941   17.3360136    6.8748995  0.00    0.0012144    0.0013411   -0.0015353
 C    3.2105383   18.3087443    7.9692084  0.00    0.0004257   -0.0011536    0.0012819
 H    4.0821985   18.9142114    8.2266483  0.00    0.0015744    0.0008188    0.0022375
 H    3.0424572   17.6206601    8.8009063  0.00   -0.0003909   -0.0005597   -0.0002943
 H    2.3533205   18.9849066    7.9096047  0.00    0.0002393   -0.0033980    0.0012277
 C    2.1894845   18.7057802    1.8262995  0.00   -0.0012900   -0.0012720    0.0012874
 H    1.4495578   17.9150693    1.9942273  0.00   -0.0012193    0.0000376   -0.0001716
 C    1.4633031   19.9328332    1.2839731  0.00    0.0016926    0.0004067   -0.0021520
 H    0.7581013   20.3495242    2.0081236  0.00    0.0004769    0.0001734   -0.0016266
 H    0.9091424   19.6762785    0.3792671  0.00   -0.0009295   -0.0000061    0.0007198
 H    2.1623914   20.7283595    1.0191974  0.00   -0.0002725    0.0009593   -0.0026889
 C    3.1796693   18.1784110    0.7868070  0.00   -0.0001520   -0.0014749    0.0001541
 H    3.9483839   18.9251785    0.5719702  0.00    0.0000405   -0.0017946    0.0020844
 H    2.6620969   17.9529991   -0.1484787  0.00    0.0010717   -0.0021828   -0.0011979
 H    3.6743058   17.2683770    1.1282575  0.00   -0.0002183   -0.0000088    0.0016935
 C   -0.1863779   16.9643546    7.1160776  0.00   -0.0003927    0.0029958   -0.0007135
 H    0.6698691   17.5026292    7.5580360  0.00   -0.0007230    0.0006853    0.0029168
 H   -1.0879781   17.4324520    7.5470736  0.00   -0.0000207    0.0014652    0.0025771
 C    1.4374770   14.3310970    7.2497622  0.00   -0.0004295    0.0007316   -0.0006108
 H    1.5412812   14.3009855    6.1619195  0.00    0.0022885   -0.0020326    0.0016977
 H    1.4212030   13.2973452    7.6075176  0.00   -0.0007165    0.0002910    0.0013981
 H    2.3369034   14.7975512    7.6591184  0.00   -0.0006414   -0.0015883    0.0002294
 C   -0.1294905   15.2720765    9.6863283  0.00    0.0000884   -0.0001702    0.0020921
 H    0.7320265   15.8228224   10.0732464  0.00    0.0006740    0.0009498   -0.0012312
 H   -0.0932019   14.2634379   10.1076485  0.00    0.0001252   -0.0011836    0.0026082
 H   -1.0313287   15.7574797   10.0688861  0.00   -0.0004978    0.0009793   -0.0013426
 C   -1.6141787   14.2221678    7.2433897  0.00    0.0005785    0.0005070   -0.0007006
 H   -2.5457564   14.6230796    7.6503205  0.00    0.0011262   -0.0016221    0.0002103
 H   -1.5254643   13.1919106    7.6005187  0.00    0.0004467   -0.0002629    0.0010723
 H   -1.7122888   14.1859100    6.1552134  0.00   -0.0019113   -0.0022182    0.0016402
129
 Energy =   -2867.2893155360
 O   -0.1326604   15.5622983    3.8317847  0.00   -0.0001921    0.0011122    0.0014980
Th   -0.2006169   17.7702130    4.8690055  0.00   -0.0004972   -0.0025663   -0.0040321
Si   -0.1228798   15.2098533    7.8115455  0.00   -0.0002478   -0.0023189    0.0013635
 N   -2.1739911   16.9603004    4.2020386  0.00   -0.0021397   -0.0015135   -0.0018739
 N    1.8204887   17.0687311    4.2274347  0.00    0.0006175    0.0012913   -0.0001799
 C   -2.5913231   13.1474112    2.6012860  0.00   -0.0023101    0.0008933   -0.0002482
 H   -2.6539309   12.1490333    2.1924541  0.00   -0.0006156    0.0006889   -0.0011450
 C   -3.7579878   13.8758054    2.7928323  0.00   -0.0017817   -0.0012353   -0.0001361
 C   -3.6645291   15.1676433    3.3244035  0.00   -0.0071654    0.0017881   -0.0013787
 H   -4.5531865   15.7695080    3.4705449  0.00   -0.0022170    0.0007441    0.0007008
 C   -2.4350660   15.7044803    3.6628433  0.00    0.0047816   -0.0011574   -0.0003584
 C    2.1578738   15.8379100    3.6756829  0.00    0.0077337   -0.0039966   -0.0031774
 C    3.4180072   15.3799311    3.3336299  0.00   -0.0050565    0.0015617   -0.0001082
 H    4.2684694   16.0325877    3.4873621  0.00    0.0056714    0.0025794    0.0009695
 C    3.5891818   14.0979321    2.7972121  0.00    0.0064533    0.0021597    0.0004562
 C    2.4688277   13.3011853    2.6022888  0.00   -0.0040618   -0.0013180   -0.0000274
 H    2.5920510   12.3096785    2.1904229  0.00    0.0007141    0.0011113   -0.0007986
 C   -0.0501679   12.8458101    2.7044036  0.00   -0.0000685   -0.0026019    0.0000285
 C   -1.3243472   13.6526601    2.9187111  0.00    0.0017397   -0.0022184   -0.0000416
 C   -1.3046548   14.9155664    3.4516015  0.00   -0.0006326    0.0015906    0.0004940
 C    1.0766192   14.9853404    3.4559830  0.00   -0.0037833   -0.0000781    0.0005145
 C    1.1728320   13.7276753    2.9196327  0.00    0.0028093   -0.0028570   -0.0008819
 C   -0.0151897   11.6868383    3.7149207  0.00    0.0001452    0.0019142   -0.0013646
 H   -0.0265598   12.0592384    4.7412251  0.00    0.0000384   -0.0004415   -0.0021495
 H    0.8884443   11.0886660    3.5790920  0.00   -0.0038098    0.0013175   -0.0014104
 H   -0.8808805   11.0349813    3.5790359  0.00    0.0035791    0.0014044   -0.0015166
 C   -0.0328868   12.2811798    1.2774749  0.00    0.0001765    0.0009451    0.0021591
 H   -0.8914707   11.6309196    1.1061706  0.00    0.0032119   -0.0001008    0.0018994
 H    0.8634131   11.6838824    1.1064511  0.00   -0.0035043   -0.0000436    0.0022845
 H   -0.0569599   13.0822242    0.5363443  0.00   -0.0001136    0.0003827    0.0036785
 C   -5.1350982   13.3185487    2.4359850  0.00   -0.0033140   -0.0010041   -0.0004899
 C   -6.0211279   13.3051027    3.6870900  0.00   -0.0007794   -0.0006010    0.0016817
 H   -5.5829541   12.6854385    4.4729657  0.00    0.0014015   -0.0006540    0.0010624
 H   -7.0061284   12.8988249    3.4444249  0.00    0.0004196   -0.0008179   -0.0008571
 H   -6.1711698   14.3082440    4.0914433  0.00   -0.0000737    0.0007899   -0.0004658
 C   -5.7821186   14.2096820    1.3688545  0.00    0.0000343    0.0009350   -0.0017392
 H   -5.9097956   15.2366890    1.7177101  0.00    0.0000945    0.0006021    0.0012337
 H   -6.7712444   13.8248845    1.1083055  0.00    0.0007873   -0.0009270   -0.0002523
 H   -5.1783966   14.2341374    0.4584352  0.00    0.0019260   -0.0006264   -0.0010752
 C   -5.0615636   11.8954551    1.8899146  0.00   -0.0002964   -0.0011941   -0.0006772
 H   -4.4742344   11.8401987    0.9700877  0.00   -0.0003464   -0.0003459   -0.0014238
 H   -6.0688754   11.5451115    1.6556945  0.00    0.0011074   -0.0005905   -0.0007897
 H   -4.6346127   11.2009631    2.6176493  0.00   -0.0000763   -0.0012288    0.0003499
 C    4.9986528   13.6227869    2.4477158  0.00    0.0014533   -0.0018903   -0.0006638
 C    5.6120781   14.5664483    1.4065305  0.00   -0.0001880    0.0007989   -0.0015008
 H    6.6218138   14.2362118    1.1505230  0.00   -0.0002484   -0.0009398   -0.0007329
 H    5.6862589   15.5909280    1.7774808  0.00   -0.0000232    0.0010735    0.0013810
 H    5.0181805   14.5800003    0.4894615  0.00   -0.0021090   -0.0008453   -0.0012590
 C    5.8667439   13.6332868    3.7115953  0.00    0.0004681   -0.0004764    0.0014362
 H    5.4540705   12.9727391    4.4776901  0.00   -0.0016010   -0.0007557    0.0009367
 H    5.9518076   14.6345647    4.1389541  0.00    0.0001195    0.0010943   -0.0002561
 H    6.8769429   13.2896486    3.4757280  0.00    0.0000182   -0.0009666   -0.0008390
 C    5.0088522   12.2084635    1.8745544  0.00    0.0007977   -0.0007859   -0.0004852
 H    4.6156299   11.4772093    2.5850035  0.00    0.0003050   -0.0009221    0.0007281
 H    6.0360277   11.9191477    1.6434111  0.00   -0.0007407   -0.0010093   -0.0009996
 H    4.4327163   12.1384932    0.9486399  0.00    0.0004024   -0.0000448   -0.0013235
 C   -3.1707107   17.9769931    4.2640681  0.00   -0.0024307    0.0009498    0.0013148
 C   -3.9465673   18.1558467    5.4335098  0.00   -0.0016108    0.0035101   -0.0018091
 C   -4.8828118   19.1848841    5.4596804  0.00    0.0019029   -0.0003397    0.0030196
 H   -5.4877393   19.3265732    6.3475634  0.00    0.0009058    0.0009831   -0.0013099
 C   -5.0673198   20.0195153    4.3752142  0.00   -0.0048038    0.0034588   -0.0013192
 H   -5.8065869   20.8110580    4.4170129  0.00   -0.0004211   -0.0020434   -0.0004976
 C   -4.3078073   19.8412564    3.2337953  0.00    0.0014259    0.0021868    0.0019301
 H   -4.4670209   20.4970145    2.3867866  0.00    0.0010316    0.0007170    0.0020716
 C   -3.3542846   18.8331393    3.1485717  0.00   -0.0008987    0.0029784    0.0001782
 C   -2.5995981   18.6561849    1.8468083  0.00   -0.0004155    0.0003290    0.0005092
 H   -1.7032494   18.0555615    2.0502712  0.00    0.0027285    0.0013548    0.0005645
 C   -3.4348042   17.8761342    0.8288928  0.00    0.0010045   -0.0010042    0.0000386
 H   -3.7104443   16.8886065    1.1992709  0.00    0.0006165    0.0013215    0.0027835
 H   -2.8755500   17.7476214   -0.1008230  0.00    0.0004195   -0.0025336   -0.0007622
 H   -4.3522183   18.4226508    0.5946127  0.00   -0.0003198   -0.0015145    0.0025164
 C   -2.1579539   19.9845116    1.2394709  0.00   -0.0022798   -0.0011906   -0.0020582
 H   -3.0110660   20.5616228    0.8781588  0.00    0.0001186    0.0017098   -0.0026197
 H   -1.5094112   19.8071163    0.3802336  0.00    0.0001630    0.0018460    0.0007752
 H   -1.6176360   20.6104024    1.9539283  0.00   -0.0008046    0.0000405   -0.0032843
 C   -3.8392608   17.2485805    6.6386330  0.00    0.0003014   -0.0013926   -0.0007361
 H   -2.9596681   16.6165124    6.5022693  0.00    0.0012073    0.0012049   -0.0002423
 C   -5.0517952   16.3226155    6.7427052  0.00   -0.0011186   -0.0005207   -0.0003148
 H   -5.9754980   16.8969095    6.8495209  0.00   -0.0009828    0.0010741   -0.0021646
 H   -4.9593864   15.6767866    7.6192064  0.00   -0.0013940   -0.0017045   -0.0001133
 H   -5.1471372   15.6818337    5.8654288  0.00    0.0005176    0.0031219   -0.0021347
 C   -3.6748862   18.0356549    7.9380451  0.00   -0.0011258   -0.0016924    0.0005320
 H   -2.8657659   18.7689250    7.8824240  0.00   -0.0006222   -0.0038450    0.0008450
 H   -3.4619790   17.3569738    8.7672140  0.00    0.0011053    0.0002946    0.0006102
 H   -4.5860677   18.5800788    8.1951364  0.00   -0.0009538   -0.0007890    0.0030008
 C    2.7387850   18.1560553    4.2782575  0.00    0.0003676   -0.0013803    0.0007391
 C    2.8818882   18.9901223    3.1419370  0.00    0.0023091    0.0041673   -0.0006808
 C    3.7349079   20.0849485    3.2214970  0.00    0.0005027    0.0013225    0.0076722
 H    3.8605110   20.7257670    2.3568596  0.00   -0.0005096    0.0012502   -0.0006231
 C    4.4366561   20.3663868    4.3792210  0.00   -0.0010526   -0.0034801   -0.0023879
 H    5.0963314   21.2252204    4.4195955  0.00    0.0023298    0.0006377   -0.0009283
 C    4.3017486   19.5437227    5.4811931  0.00   -0.0000523    0.0037233   -0.0017459
 H    4.8685078   19.7622569    6.3785159  0.00   -0.0009274    0.0012498   -0.0010318
 C    3.4681027   18.4298844    5.4592728  0.00    0.0023264    0.0028849    0.0015484
 C    3.4283261   17.5293772    6.6737425  0.00    0.0000331   -0.0001064   -0.0021781
 H    2.5981210   16.8325864    6.5434517  0.00   -0.0020426    0.0014455    0.0002484
 C    4.7062299   16.6949456    6.7769139  0.00    0.0006408    0.0001897   -0.0004953
 H    4.8434543   16.0572273    5.9026471  0.00   -0.0007233    0.0037710   -0.0013727
 H    4.6658045   16.0498052    7.6579217  0.00    0.0016706   -0.0009371   -0.0010540
 H    5.5857170   17.3364863    6.8742618  0.00    0.0007697    0.0010709   -0.0020097
 C    3.2096337   18.3084574    7.9693392  0.00    0.0011340   -0.0016288    0.0005229
 H    4.0814707   18.9137750    8.2267669  0.00    0.0005707    0.0001700    0.0025941
 H    3.0416933   17.6197059    8.8004628  0.00   -0.0005803    0.0003225    0.0010950
 H    2.3524164   18.9847070    7.9100264  0.00    0.0007678   -0.0040566    0.0015011
 C    2.1882054   18.7059426    1.8266069  0.00    0.0006028   -0.0010397    0.0018249
 H    1.4480948   17.9154846    1.9949842  0.00   -0.0015897    0.0004053   -0.0006383
 C    1.4627154   19.9330761    1.2835603  0.00    0.0020738   -0.0007751   -0.0017669
 H    0.7583045   20.3509599    2.0078212  0.00    0.0004464    0.0001945   -0.0025396
 H    0.9080628   19.6758265    0.3793355  0.00   -0.0010485    0.0010367    0.0011019
 H    2.1625241   20.7276309    1.0177382  0.00   -0.0009220    0.0010851   -0.0028949
 C    3.1782784   18.1776928    0.7874257  0.00   -0.0007583   -0.0021530   -0.0004136
 H    3.9475279   18.9238260    0.5722927  0.00    0.0001496   -0.0018197    0.0029725
 H    2.6606263   17.9525687   -0.1478292  0.00    0.0004696   -0.0023560   -0.0021125
 H    3.6720078   17.2671298    1.1288056  0.00    0.0001602    0.0006479    0.0022624
 C   -0.1865029   16.9646782    7.1159622  0.00   -0.0003780    0.0027549   -0.0008030
 H    0.6696144   17.5032872    7.5577471  0.00   -0.0006417    0.0004645    0.0031581
 H   -1.0882033   17.4329696    7.5465293  0.00    0.0000296    0.0011154    0.0028575
 C    1.4376054   14.3312419    7.2504375  0.00   -0.0008072    0.0008629   -0.0003530
 H    1.5419747   14.3007666    6.1626355  0.00    0.0021369   -0.0019335    0.0021340
 H    1.4208472   13.2975862    7.6085639  0.00   -0.0004898    0.0008055    0.0011054
 H    2.3369022   14.7976553    7.6602069  0.00   -0.0009474   -0.0019072   -0.0000599
 C   -0.1295482   15.2730783    9.6865158  0.00    0.0000279    0.0000925    0.0018673
 H    0.7319648   15.8241071   10.0730666  0.00    0.0005002    0.0009751   -0.0010847
 H   -0.0933239   14.2647794   10.1086705  0.00    0.0001155   -0.0011015    0.0020204
 H   -1.0314153   15.7588168   10.0686062  0.00   -0.0003280    0.0009991   -0.0011007
 C   -1.6142792   14.2222675    7.2439720  0.00    0.0009023    0.0007130   -0.0004006
 H   -2.5456926   14.6232457    7.6513152  0.00    0.0014750   -0.0020301   -0.0001093
 H   -1.5252577   13.1920813    7.6013683  0.00    0.0002893    0.0004447    0.0007898
 H   -1.7129149   14.1857363    6.1558229  0.00   -0.0017306   -0.0021076    0.0021646
129
 Energy =   -2867.2893205750
 O   -0.1326079   15.5623217    3.8319194  0.00   -0.0009309    0.0004730    0.0006567
Th   -0.2005901   17.7704836    4.8688734  0.00   -0.0005455   -0.0037715   -0.0045440
Si   -0.1229197   15.2104758    7.8117367  0.00   -0.0004161   -0.0014562    0.0016756
 N   -2.1737065   16.9601800    4.2017942  0.00   -0.0011589   -0.0017374   -0.0015377
 N    1.8203041   17.0685091    4.2273736  0.00   -0.0006550   -0.0005848   -0.0003311
 C   -2.5906967   13.1471516    2.6008811  0.00   -0.0019592    0.0005263   -0.0002396
 H   -2.6527244   12.1487163    2.1921280  0.00   -0.0015404    0.0006131   -0.0013862
 C   -3.7575110   13.8751181    2.7923679  0.00   -0.0031331    0.0010872    0.0001065
 C   -3.6642121   15.1670718    3.3240108  0.00   -0.0078846    0.0024696   -0.0010393
 H   -4.5528925   15.7688669    3.4702409  0.00   -0.0027006    0.0006536    0.0003734
 C   -2.4348955   15.7042563    3.6626336  0.00    0.0038647   -0.0002758   -0.0000583
 C    2.1578400   15.8375880    3.6755575  0.00    0.0045437   -0.0026979   -0.0028443
 C    3.4177383   15.3792773    3.3332244  0.00   -0.0014904    0.0040450    0.0011320
 H    4.2681960   16.0320567    3.4869644  0.00    0.0054572    0.0013945    0.0005336
 C    3.5887543   14.0972119    2.7968056  0.00    0.0075013    0.0023200   -0.0002861
 C    2.4681783   13.3008615    2.6019374  0.00   -0.0010247   -0.0025053   -0.0007047
 H    2.5908262   12.3092391    2.1901073  0.00    0.0016534    0.0017458   -0.0007026
 C   -0.0501714   12.8457991    2.7040128  0.00    0.0009997   -0.0009527    0.0010011
 C   -1.3239114   13.6527496    2.9183960  0.00   -0.0024835   -0.0037296    0.0005695
 C   -1.3044234   14.9155312    3.4515295  0.00   -0.0000608    0.0011178   -0.0006682
 C    1.0764195   14.9852181    3.4559563  0.00   -0.0019818    0.0006150   -0.0004382
 C    1.1724878   13.7276899    2.9193251  0.00    0.0034180   -0.0035764    0.0003709
 C   -0.0151471   11.6872570    3.7149229  0.00    0.0002530    0.0017037   -0.0005766
 H   -0.0264902   12.0600989    4.7410498  0.00    0.0000014    0.0000011   -0.0018224
 H    0.8885246   11.0891219    3.5796416  0.00   -0.0032428    0.0005314   -0.0022951
 H   -0.8808492   11.0354142    3.5796621  0.00    0.0027622    0.0003624   -0.0024480
 C   -0.0328477   12.2813849    1.2770226  0.00    0.0002931    0.0013302    0.0027806
 H   -0.8914903   11.6313377    1.1056651  0.00    0.0028196   -0.0013558    0.0014901
 H    0.8635217   11.6842973    1.1059101  0.00   -0.0034457   -0.0009864    0.0021431
 H   -0.0569187   13.0824932    0.5359758  0.00   -0.0001607    0.0007235    0.0038762
 C   -5.1344499   13.3173474    2.4352343  0.00   -0.0043717    0.0001600   -0.0001798
 C   -6.0208016   13.3041360    3.6860699  0.00    0.0006300    0.0001490    0.0034878
 H   -5.5829210   12.6850545    4.4725083  0.00    0.0019788   -0.0021282    0.0008547
 H   -7.0059069   12.8980545    3.4436075  0.00    0.0003929   -0.0010016   -0.0014201
 H   -6.1703411   14.3074784    4.0900015  0.00   -0.0012927    0.0013225   -0.0002005
 C   -5.7819018   14.2084876    1.3683979  0.00    0.0016250    0.0024833   -0.0024300
 H   -5.9092021   15.2353610    1.7176253  0.00   -0.0011131    0.0013423    0.0016121
 H   -6.7711071   13.8238364    1.1080151  0.00    0.0007137   -0.0011610   -0.0001802
 H   -5.1785628   14.2338140    0.4577923  0.00    0.0026719   -0.0022140   -0.0015679
 C   -5.0606740   11.8942832    1.8891035  0.00    0.0013200   -0.0016029   -0.0007771
 H   -4.4731855   11.8388320    0.9694104  0.00   -0.0007014    0.0007722   -0.0023050
 H   -6.0678819   11.5437681    1.6548821  0.00    0.0005061   -0.0006864   -0.0009537
 H   -4.6334168   11.1996448    2.6164658  0.00   -0.0005474   -0.0010953    0.0019744
 C    4.9980937   13.6214638    2.4469952  0.00    0.0023395   -0.0002109   -0.0002173
 C    5.6119013   14.5651205    1.4060558  0.00   -0.0016970    0.0023879   -0.0024293
 H    6.6217209   14.2350600    1.1501638  0.00   -0.0003993   -0.0011287   -0.0005274
 H    5.6856760   15.5894762    1.7773022  0.00    0.0012027    0.0017051    0.0018358
 H    5.0183120   14.5795281    0.4888348  0.00   -0.0027051   -0.0025149   -0.0017016
 C    5.8665842   13.6322470    3.7105739  0.00   -0.0008777    0.0000316    0.0034121
 H    5.4542099   12.9723547    4.4773405  0.00   -0.0021854   -0.0022822    0.0005356
 H    5.9512198   14.6337117    4.1374844  0.00    0.0012338    0.0017291   -0.0000591
 H    6.8768751   13.2887356    3.4749295  0.00   -0.0002701   -0.0009898   -0.0015091
 C    5.0079610   12.2071516    1.8738129  0.00   -0.0012456   -0.0013496   -0.0005940
 H    4.6143952   11.4758151    2.5839462  0.00    0.0009127   -0.0007949    0.0022181
 H    6.0349929   11.9175733    1.6425970  0.00    0.0000051   -0.0010628   -0.0011338
 H    4.4315770   12.1370086    0.9480774  0.00    0.0008817    0.0010539   -0.0021204
 C   -3.1696195   17.9775707    4.2642580  0.00    0.0000028    0.0020045    0.0017359
 C   -3.9449938   18.1565753    5.4338763  0.00   -0.0035695    0.0016860   -0.0025592
 C   -4.8807700   19.1860536    5.4606132  0.00    0.0037498    0.0013822   -0.0001522
 H   -5.4856386   19.3278349    6.3483555  0.00   -0.0000580    0.0008559    0.0010491
 C   -5.0647507   20.0214217    4.3765173  0.00   -0.0017607    0.0002591   -0.0032767
 H   -5.8031194   20.8136259    4.4187334  0.00   -0.0026292   -0.0012691   -0.0004194
 C   -4.3053119   19.8432937    3.2348704  0.00    0.0031445   -0.0025935    0.0079601
 H   -4.4640970   20.4995695    2.3884965  0.00    0.0005678    0.0028623   -0.0015509
 C   -3.3522788   18.8345097    3.1493082  0.00   -0.0062170    0.0036221   -0.0009967
 C   -2.5976706   18.6572214    1.8476829  0.00    0.0007789   -0.0022583   -0.0002101
 H   -1.7008408   18.0570675    2.0516424  0.00    0.0002005    0.0037075   -0.0008598
 C   -3.4322700   17.8758335    0.8302594  0.00    0.0001778   -0.0013164   -0.0006343
 H   -3.7070447   16.8882493    1.2010593  0.00   -0.0000571    0.0012203    0.0031050
 H   -2.8729129   17.7471176   -0.0993007  0.00    0.0012655   -0.0024113   -0.0015089
 H   -4.3501279   18.4213608    0.5952014  0.00    0.0003660   -0.0012138    0.0038112
 C   -2.1573818   19.9853234    1.2391089  0.00   -0.0024138   -0.0001967   -0.0014273
 H   -3.0112145   20.5608322    0.8767111  0.00    0.0014280    0.0016579   -0.0020741
 H   -1.5083118   19.8074990    0.3804294  0.00    0.0003103    0.0025923   -0.0001137
 H   -1.6182189   20.6127883    1.9530588  0.00   -0.0003569   -0.0005905   -0.0034735
 C   -3.8378113   17.2483816    6.6382051  0.00   -0.0023540   -0.0002682    0.0000646
 H   -2.9585164   16.6159113    6.5013662  0.00    0.0007740    0.0024269    0.0004383
 C   -5.0507899   16.3229380    6.7417545  0.00   -0.0012757   -0.0014451   -0.0002994
 H   -5.9743210   16.8975604    6.8483869  0.00   -0.0008121    0.0009840   -0.0023421
 H   -4.9588928   15.6770676    7.6182100  0.00   -0.0011672   -0.0021584    0.0008730
 H   -5.1461449   15.6819659    5.8646354  0.00    0.0005226    0.0035695   -0.0028709
 C   -3.6737923   18.0345204    7.9382035  0.00   -0.0009384   -0.0023646   -0.0000549
 H   -2.8652948   18.7685245    7.8833723  0.00   -0.0002621   -0.0043662    0.0004905
 H   -3.4603024   17.3547700    8.7663067  0.00    0.0008072    0.0015121    0.0023966
 H   -4.5854790   18.5779387    8.1957657  0.00   -0.0002405   -0.0009810    0.0032187
 C    2.7376398   18.1564393    4.2784830  0.00   -0.0010659    0.0035055   -0.0016183
 C    2.8799211   18.9910854    3.1423350  0.00    0.0078934    0.0026104    0.0031322
 C    3.7325636   20.0863809    3.2222077  0.00   -0.0041733   -0.0018112    0.0051125
 H    3.8578623   20.7273344    2.3576604  0.00   -0.0002738    0.0017093   -0.0008367
 C    4.4338961   20.3679219    4.3800175  0.00    0.0013783   -0.0013291   -0.0022688
 H    5.0929245   21.2273531    4.4205416  0.00    0.0021436   -0.0010815   -0.0006674
 C    4.2992856   19.5450534    5.4818295  0.00    0.0023862    0.0059085    0.0013422
 H    4.8660506   19.7639091    6.3791817  0.00   -0.0020659    0.0005917   -0.0019515
 C    3.4663193   18.4308719    5.4597146  0.00    0.0020939   -0.0028648   -0.0004476
 C    3.4267772   17.5295334    6.6735418  0.00    0.0032917    0.0020719   -0.0024126
 H    2.5969613   16.8322386    6.5428346  0.00   -0.0016162    0.0030549    0.0010044
 C    4.7051815   16.6957034    6.7759913  0.00    0.0001138   -0.0008221   -0.0003229
 H    4.8421267   16.0578723    5.9017467  0.00   -0.0004288    0.0042988   -0.0015926
 H    4.6653470   16.0504949    7.6569262  0.00    0.0015821   -0.0013445   -0.0002682
 H    5.5845508   17.3374832    6.8730342  0.00    0.0003214    0.0010313   -0.0022038
 C    3.2083984   18.3079513    7.9695558  0.00    0.0006057   -0.0028344    0.0000952
 H    4.0804364   18.9130191    8.2271112  0.00   -0.0003290   -0.0005426    0.0027655
 H    3.0406028   17.6181357    8.7998075  0.00   -0.0005669    0.0018672    0.0028229
 H    2.3511597   18.9842849    7.9109615  0.00    0.0012543   -0.0045723    0.0014095
 C    2.1864448   18.7063144    1.8272655  0.00   -0.0008253   -0.0039295    0.0002041
 H    1.4459355   17.9160982    1.9962500  0.00   -0.0000822    0.0029321   -0.0015830
 C    1.4619527   19.9333559    1.2829096  0.00    0.0025679    0.0000706   -0.0008444
 H    0.7586549   20.3532131    2.0071365  0.00    0.0001477   -0.0004953   -0.0033380
 H    0.9064940   19.6751024    0.3794991  0.00   -0.0009983    0.0020986    0.0005802
 H    2.1627620   20.7265646    1.0153755  0.00   -0.0025344    0.0008329   -0.0023623
 C    3.1762207   18.1765985    0.7885537  0.00    0.0002346   -0.0019063   -0.0011823
 H    3.9463865   18.9217828    0.5731616  0.00   -0.0005274   -0.0019643    0.0037880
 H    2.6585660   17.9518341   -0.1467289  0.00   -0.0002000   -0.0026259   -0.0028017
 H    3.6686927   17.2654148    1.1300895  0.00    0.0009339    0.0011640    0.0026712
 C   -0.1867334   16.9654885    7.1160436  0.00    0.0001498    0.0011150   -0.0002940
 H    0.6691881   17.5043786    7.5579257  0.00   -0.0008621   -0.0002203    0.0029130
 H   -1.0884982   17.4339112    7.5463257  0.00    0.0001765    0.0004934    0.0029709
 C    1.4377010   14.3314630    7.2514277  0.00   -0.0008939    0.0006551    0.0005729
 H    1.5432615   14.3001209    6.1637782  0.00    0.0012565   -0.0013299    0.0018644
 H    1.4200617   13.2980755    7.6103038  0.00    0.0000328    0.0006587    0.0006432
 H    2.3368255   14.7976274    7.6618745  0.00   -0.0009148   -0.0017507   -0.0003709
 C   -0.1296250   15.2744781    9.6867711  0.00   -0.0000538    0.0015725    0.0007991
 H    0.7319440   15.8260601   10.0725280  0.00   -0.0003415    0.0004433   -0.0004585
 H   -0.0934874   14.2667207   10.1102149  0.00    0.0001212   -0.0011684    0.0010840
 H   -1.0315803   15.7608476   10.0679509  0.00    0.0004660    0.0005098   -0.0002660
 C   -1.6143372   14.2223791    7.2448177  0.00    0.0008585    0.0006941    0.0006430
 H   -2.5455124   14.6232494    7.6528329  0.00    0.0013448   -0.0020480   -0.0004620
 H   -1.5247220   13.1924244    7.6027834  0.00    0.0000657    0.0005669    0.0004451
 H   -1.7140598   14.1851116    6.1568075  0.00   -0.0008872   -0.0015102    0.0018968
129
 Energy =   -2867.2893253720
 O   -0.1326453   15.5627693    3.8324354  0.00   -0.0008980   -0.0002077   -0.0003142
Th   -0.2006854   17.7705826    4.8689942  0.00   -0.0002404   -0.0010407   -0.0020120
Si   -0.1229248   15.2100093    7.8115207  0.00   -0.0003390    0.0002641    0.0000445
 N   -2.1741756   16.9607625    4.2018582  0.00   -0.0019368   -0.0016059   -0.0013959
 N    1.8206552   17.0691457    4.2275389  0.00    0.0002066   -0.0033972   -0.0008971
 C   -2.5907099   13.1476092    2.6011287  0.00   -0.0046124   -0.0001524   -0.0001411
 H   -2.6527466   12.1492679    2.1921162  0.00   -0.0013882    0.0005470   -0.0010073
 C   -3.7577856   13.8753304    2.7926781  0.00   -0.0013744    0.0033907   -0.0004258
 C   -3.6646079   15.1675068    3.3241688  0.00   -0.0026479   -0.0016635   -0.0002259
 H   -4.5532329   15.7691933    3.4707615  0.00   -0.0033303    0.0011555   -0.0000448
 C   -2.4350796   15.7046861    3.6627826  0.00   -0.0009085    0.0017511   -0.0001168
 C    2.1580155   15.8379854    3.6757211  0.00    0.0028631    0.0003609   -0.0016393
 C    3.4179312   15.3797427    3.3333507  0.00   -0.0005883    0.0004315    0.0014593
 H    4.2684775   16.0324749    3.4873503  0.00    0.0043465    0.0008042   -0.0000291
 C    3.5889480   14.0974873    2.7970957  0.00    0.0031025    0.0015851   -0.0012599
 C    2.4680525   13.3012067    2.6022133  0.00    0.0044735    0.0006011    0.0001032
 H    2.5907577   12.3097505    2.1901684  0.00    0.0015268    0.0005757   -0.0007784
 C   -0.0502150   12.8461695    2.7042808  0.00    0.0009257    0.0027242    0.0029286
 C   -1.3239526   13.6531342    2.9187175  0.00   -0.0019774    0.0007537    0.0006007
 C   -1.3045241   14.9160727    3.4518567  0.00   -0.0004694   -0.0032914   -0.0012404
 C    1.0763990   14.9856490    3.4562903  0.00    0.0003679    0.0008699    0.0003413
 C    1.1724658   13.7280758    2.9196743  0.00    0.0015588   -0.0020810   -0.0005503
 C   -0.0151874   11.6876564    3.7147672  0.00    0.0003337   -0.0011319   -0.0008461
 H   -0.0265314   12.0597773    4.7409831  0.00   -0.0000326    0.0015127    0.0003471
 H    0.8882803   11.0894863    3.5790634  0.00   -0.0016200    0.0000090   -0.0017970
 H   -0.8806647   11.0357807    3.5790422  0.00    0.0011050   -0.0003403   -0.0018825
 C   -0.0328833   12.2817552    1.2776450  0.00    0.0003223   -0.0014090    0.0018534
 H   -0.8913520   11.6314484    1.1066368  0.00    0.0020003   -0.0009389    0.0006376
 H    0.8633341   11.6844078    1.1069119  0.00   -0.0026264   -0.0005320    0.0012118
 H   -0.0569599   13.0826853    0.5365874  0.00   -0.0001506    0.0016175    0.0021180
 C   -5.1347142   13.3174316    2.4354486  0.00   -0.0032979    0.0009219   -0.0001640
 C   -6.0210387   13.3044734    3.6863172  0.00    0.0008240   -0.0005223    0.0026821
 H   -5.5829036   12.6860314    4.4730705  0.00    0.0017512   -0.0033247    0.0008662
 H   -7.0061207   12.8981318    3.4439984  0.00    0.0010823   -0.0003652   -0.0008589
 H   -6.1703737   14.3079258    4.0898718  0.00   -0.0022919    0.0023445   -0.0000781
 C   -5.7819499   14.2088309    1.3686832  0.00    0.0017424    0.0015701   -0.0024280
 H   -5.9090442   15.2355541    1.7182349  0.00   -0.0021676    0.0021173    0.0019876
 H   -6.7710788   13.8241516    1.1079225  0.00    0.0011730   -0.0004379    0.0000473
 H   -5.1782754   14.2346854    0.4583410  0.00    0.0024557   -0.0029723   -0.0022102
 C   -5.0612416   11.8943948    1.8892005  0.00    0.0016102   -0.0017435   -0.0009579
 H   -4.4738226   11.8386714    0.9695163  0.00   -0.0004864    0.0015599   -0.0029382
 H   -6.0685641   11.5441618    1.6549539  0.00    0.0009164   -0.0007358   -0.0007221
 H   -4.6340445   11.1994762    2.6162674  0.00   -0.0005366   -0.0011373    0.0030905
 C    4.9982669   13.6216210    2.4472146  0.00    0.0025407    0.0009440   -0.0001681
 C    5.6118855   14.5655600    1.4063756  0.00   -0.0017400    0.0016337   -0.0025150
 H    6.6216437   14.2355038    1.1500210  0.00   -0.0012017   -0.0004289   -0.0000540
 H    5.6854716   15.5897597    1.7779738  0.00    0.0021849    0.0022298    0.0021312
 H    5.0179050   14.5805048    0.4894397  0.00   -0.0024355   -0.0032284   -0.0023651
 C    5.8667164   13.6326612    3.7108528  0.00   -0.0010205   -0.0004759    0.0027769
 H    5.4540147   12.9733818    4.4779210  0.00   -0.0018867   -0.0035017    0.0006028
 H    5.9511231   14.6342267    4.1374418  0.00    0.0021470    0.0026859   -0.0000756
 H    6.8770309   13.2888878    3.4754303  0.00   -0.0012536   -0.0003540   -0.0010916
 C    5.0085713   12.2073661    1.8739249  0.00   -0.0019011   -0.0015041   -0.0007700
 H    4.6151196   11.4757969    2.5838161  0.00    0.0008734   -0.0009959    0.0031779
 H    6.0357119   11.9180938    1.6426567  0.00   -0.0005938   -0.0009923   -0.0007876
 H    4.4322481   12.1369647    0.9482103  0.00    0.0005993    0.0016759   -0.0027481
 C   -3.1704238   17.9781741    4.2643045  0.00    0.0007504   -0.0024111    0.0005752
 C   -3.9458995   18.1570289    5.4338741  0.00   -0.0024818   -0.0003358   -0.0040698
 C   -4.8824564   19.1857486    5.4600589  0.00    0.0008887    0.0011468    0.0040783
 H   -5.4877980   19.3271984    6.3476438  0.00    0.0011908    0.0007112    0.0002380
 C   -5.0672725   20.0205072    4.3757165  0.00    0.0000339    0.0027256   -0.0006827
 H   -5.8066977   20.8118501    4.4173787  0.00   -0.0008180   -0.0015149    0.0000330
 C   -4.3071809   19.8427468    3.2345973  0.00    0.0022641    0.0031807    0.0002999
 H   -4.4664169   20.4986962    2.3878084  0.00    0.0014754    0.0013920    0.0011003
 C   -3.3533939   18.8348641    3.1492378  0.00   -0.0031442   -0.0006884   -0.0006035
 C   -2.5987556   18.6570859    1.8475902  0.00   -0.0013214   -0.0005060   -0.0008308
 H   -1.7019575   18.0567192    2.0516218  0.00   -0.0010866    0.0051873   -0.0011712
 C   -3.4338869   17.8757266    0.8305113  0.00    0.0005376   -0.0021322   -0.0002714
 H   -3.7088651   16.8884652    1.2018031  0.00   -0.0000678   -0.0000796    0.0033477
 H   -2.8750133   17.7462559   -0.0992437  0.00    0.0019067   -0.0016572   -0.0011151
 H   -4.3517494   18.4212751    0.5955476  0.00    0.0005650   -0.0009136    0.0038083
 C   -2.1584526   19.9849747    1.2385353  0.00   -0.0016810   -0.0000982   -0.0014643
 H   -3.0119793   20.5611319    0.8762145  0.00    0.0016649   -0.0004951   -0.0016777
 H   -1.5094510   19.8068145    0.3799112  0.00    0.0003743    0.0023636   -0.0009014
 H   -1.6186755   20.6121073    1.9521602  0.00   -0.0002896    0.0013376   -0.0022080
 C   -3.8384786   17.2486613    6.6380795  0.00   -0.0036243   -0.0006698   -0.0003102
 H   -2.9589766   16.6162738    6.5010948  0.00   -0.0013016    0.0035771    0.0009516
 C   -5.0516121   16.3233328    6.7412674  0.00   -0.0013211   -0.0014091   -0.0008388
 H   -5.9751466   16.8980047    6.8479725  0.00    0.0000339    0.0009021   -0.0022251
 H   -4.9599682   15.6769047    7.6173337  0.00   -0.0010023   -0.0018120    0.0012033
 H   -5.1469365   15.6829645    5.8637757  0.00    0.0002136    0.0025144   -0.0032479
 C   -3.6748404   18.0344767    7.9382784  0.00   -0.0001114   -0.0023747    0.0002728
 H   -2.8659187   18.7679299    7.8837614  0.00   -0.0001257   -0.0024539    0.0006492
 H   -3.4614577   17.3544859    8.7661776  0.00    0.0003575    0.0010453    0.0027777
 H   -4.5864255   18.5782149    8.1959076  0.00    0.0008038   -0.0022304    0.0026105
 C    2.7383169   18.1569634    4.2786011  0.00    0.0009107   -0.0007415    0.0011065
 C    2.8810840   18.9913699    3.1424494  0.00    0.0041189    0.0002790   -0.0009903
 C    3.7344493   20.0859752    3.2219553  0.00   -0.0024894    0.0003970    0.0028817
 H    3.8602005   20.7264876    2.3571209  0.00   -0.0007870    0.0018046   -0.0004396
 C    4.4365383   20.3672042    4.3793165  0.00   -0.0023210   -0.0020638    0.0009720
 H    5.0965713   21.2258120    4.4192454  0.00    0.0019270    0.0002898   -0.0000803
 C    4.3012647   19.5448616    5.4815312  0.00   -0.0028916    0.0022753   -0.0034866
 H    4.8684127   19.7633908    6.3783898  0.00   -0.0001171    0.0015217    0.0024753
 C    3.4671904   18.4312135    5.4598889  0.00    0.0044228    0.0017994   -0.0040462
 C    3.4275389   17.5298285    6.6735034  0.00    0.0022450   -0.0010764   -0.0018143
 H    2.5973440   16.8325866    6.5426179  0.00    0.0020721    0.0053797    0.0018982
 C    4.7060250   16.6960399    6.7754314  0.00    0.0006175   -0.0009175   -0.0008328
 H    4.8428499   16.0589041    5.9007128  0.00   -0.0001377    0.0034186   -0.0018839
 H    4.6664243   16.0501609    7.6558575  0.00    0.0014327   -0.0012174    0.0003486
 H    5.5854895   17.3377442    6.8727015  0.00   -0.0008311    0.0009160   -0.0023214
 C    3.2096006   18.3077700    7.9698167  0.00    0.0002350   -0.0020748    0.0001836
 H    4.0815060   18.9132615    8.2273866  0.00   -0.0019850   -0.0020983    0.0020395
 H    3.0420989   17.6175735    8.7997638  0.00    0.0000601    0.0014900    0.0035048
 H    2.3518522   18.9834166    7.9117013  0.00    0.0011446   -0.0029424    0.0015049
 C    2.1876306   18.7062066    1.8272470  0.00    0.0007985   -0.0028030    0.0006380
 H    1.4473982   17.9156331    1.9961288  0.00    0.0000470    0.0042204   -0.0010904
 C    1.4628626   19.9330104    1.2827045  0.00    0.0017799    0.0000292   -0.0010467
 H    0.7590753   20.3522094    2.0067658  0.00    0.0001617    0.0010105   -0.0026194
 H    0.9075295   19.6745632    0.3792670  0.00   -0.0008252    0.0019100    0.0004799
 H    2.1631650   20.7268284    1.0154180  0.00   -0.0023558   -0.0008476   -0.0025133
 C    3.1778061   18.1767619    0.7887262  0.00    0.0004550   -0.0025662   -0.0008031
 H    3.9476605   18.9222383    0.5734702  0.00    0.0001555   -0.0017150    0.0033183
 H    2.6607199   17.9513592   -0.1467545  0.00   -0.0007711   -0.0018589   -0.0020187
 H    3.6708064   17.2660229    1.1306262  0.00    0.0003573    0.0004712    0.0027554
 C   -0.1868463   16.9658972    7.1167829  0.00    0.0002700   -0.0020019    0.0010268
 H    0.6690582   17.5041264    7.5595734  0.00   -0.0006190   -0.0000945    0.0015437
 H   -1.0883856   17.4339774    7.5480027  0.00   -0.0000340    0.0001044    0.0015838
 C    1.4376495   14.3310170    7.2509961  0.00   -0.0008397   -0.0002317    0.0010938
 H    1.5438220   14.2989827    6.1634605  0.00    0.0004340   -0.0007734    0.0013141
 H    1.4197039   13.2978012    7.6103477  0.00   -0.0000722    0.0003256    0.0006624
 H    2.3368143   14.7969088    7.6614845  0.00   -0.0000355   -0.0008439    0.0004319
 C   -0.1294925   15.2732149    9.6867155  0.00   -0.0000628    0.0020909   -0.0011512
 H    0.7321752   15.8250529   10.0719744  0.00   -0.0010006    0.0001015    0.0002598
 H   -0.0933226   14.2654589   10.1103506  0.00    0.0000080    0.0004076    0.0004078
 H   -1.0315287   15.7598283   10.0674606  0.00    0.0010398    0.0002521    0.0005501
 C   -1.6141974   14.2217693    7.2444208  0.00    0.0009333   -0.0002668    0.0011027
 H   -2.5453550   14.6224038    7.6524930  0.00    0.0001577   -0.0012067    0.0003484
 H   -1.5243646   13.1919635    7.6027832  0.00    0.0002920    0.0005051    0.0004744
 H   -1.7144712   14.1838526    6.1565201  0.00   -0.0001342   -0.0008717    0.0013710
129
 Energy =   -2867.2893321340
 O   -0.1326932   15.5632280    3.8325994  0.00    0.0001188   -0.0028735   -0.0018891
Th   -0.2007446   17.7708544    4.8686788  0.00   -0.0002444   -0.0022572   -0.0001375
Si   -0.1229321   15.2101114    7.8118585  0.00   -0.0002215    0.0020049   -0.0010154
 N   -2.1742345   16.9608825    4.2015889  0.00   -0.0008893    0.0017566   -0.0000330
 N    1.8206407   17.0691976    4.2274834  0.00    0.0011673   -0.0008508   -0.0010895
 C   -2.5905150   13.1478192    2.6009762  0.00   -0.0033939   -0.0002997   -0.0002493
 H   -2.6520182   12.1494239    2.1919100  0.00   -0.0024216    0.0014887   -0.0006807
 C   -3.7577210   13.8753623    2.7924158  0.00   -0.0022320    0.0015966   -0.0007750
 C   -3.6648242   15.1675725    3.3238793  0.00    0.0041028   -0.0005339    0.0014306
 H   -4.5533890   15.7692575    3.4705894  0.00   -0.0039055    0.0013625   -0.0001837
 C   -2.4350497   15.7048590    3.6626467  0.00   -0.0070928   -0.0007408   -0.0024313
 C    2.1581523   15.8380481    3.6755677  0.00   -0.0028488    0.0035662    0.0005011
 C    3.4179314   15.3798953    3.3332105  0.00    0.0063941   -0.0039155   -0.0011461
 H    4.2686959   16.0326153    3.4871968  0.00    0.0022583   -0.0003088   -0.0002202
 C    3.5890226   14.0974690    2.7968544  0.00   -0.0037325    0.0010255   -0.0001104
 C    2.4678095   13.3012898    2.6020898  0.00    0.0071925    0.0050820    0.0013266
 H    2.5900042   12.3098995    2.1900254  0.00    0.0026131   -0.0006632   -0.0013137
 C   -0.0501566   12.8466633    2.7042981  0.00   -0.0008615    0.0027268    0.0023818
 C   -1.3238827   13.6534494    2.9186865  0.00   -0.0009265    0.0014086    0.0004407
 C   -1.3044398   14.9163611    3.4518307  0.00   -0.0027057   -0.0021216   -0.0004631
 C    1.0762719   14.9859538    3.4563351  0.00    0.0031514   -0.0011005   -0.0007967
 C    1.1723759   13.7283560    2.9196573  0.00    0.0013102    0.0014288    0.0006490
 C   -0.0151460   11.6885746    3.7149006  0.00   -0.0001930   -0.0013545    0.0009820
 H   -0.0264762   12.0611399    4.7409137  0.00   -0.0000314    0.0010625    0.0010885
 H    0.8881226   11.0903581    3.5795096  0.00    0.0010318   -0.0013309   -0.0023164
 H   -0.8804602   11.0366286    3.5795449  0.00   -0.0009132   -0.0013646   -0.0024082
 C   -0.0328499   12.2825118    1.2777123  0.00   -0.0003614   -0.0001126    0.0009747
 H   -0.8911594   11.6322365    1.1064858  0.00    0.0003151   -0.0017018    0.0005256
 H    0.8631713   11.6852258    1.1068066  0.00   -0.0001899   -0.0016948    0.0008222
 H   -0.0569480   13.0837431    0.5369861  0.00   -0.0000985    0.0008889    0.0016754
 C   -5.1344377   13.3168062    2.4349332  0.00    0.0016595    0.0004440   -0.0002100
 C   -6.0206890   13.3037574    3.6858208  0.00   -0.0007196    0.0000417    0.0008328
 H   -5.5826173   12.6854452    4.4727311  0.00    0.0016954   -0.0031353    0.0004858
 H   -7.0057891   12.8974763    3.4432163  0.00    0.0017279   -0.0002104    0.0002930
 H   -6.1699133   14.3074327    4.0889702  0.00   -0.0027292    0.0013986    0.0002779
 C   -5.7816101   14.2081576    1.3681048  0.00   -0.0004968    0.0010015   -0.0006178
 H   -5.9087197   15.2348059    1.7180726  0.00   -0.0023061    0.0012605    0.0009003
 H   -6.7708039   13.8232448    1.1077212  0.00    0.0018162    0.0005645   -0.0007156
 H   -5.1781218   14.2341340    0.4576427  0.00    0.0026340   -0.0029962   -0.0017817
 C   -5.0599655   11.8936601    1.8886495  0.00   -0.0011151   -0.0003566   -0.0000518
 H   -4.4725008   11.8381561    0.9689911  0.00   -0.0003276    0.0018691   -0.0028963
 H   -6.0671531   11.5430161    1.6542611  0.00    0.0013447   -0.0005874   -0.0005354
 H   -4.6325914   11.1988406    2.6157565  0.00   -0.0008292   -0.0005593    0.0028509
 C    4.9979366   13.6209298    2.4467449  0.00    0.0009485    0.0003731   -0.0005863
 C    5.6115664   14.5647805    1.4057805  0.00    0.0003524    0.0010763   -0.0006193
 H    6.6214083   14.2344931    1.1497656  0.00   -0.0021721    0.0005410   -0.0005991
 H    5.6851554   15.5889316    1.7777478  0.00    0.0023650    0.0012175    0.0009744
 H    5.0177400   14.5797872    0.4887408  0.00   -0.0025674   -0.0031424   -0.0019320
 C    5.8664798   13.6318860    3.7103569  0.00    0.0003663    0.0002153    0.0007622
 H    5.4538657   12.9727781    4.4776339  0.00   -0.0019246   -0.0033624    0.0003106
 H    5.9508603   14.6336873    4.1365247  0.00    0.0025188    0.0017534    0.0002269
 H    6.8768027   13.2881168    3.4746190  0.00   -0.0022390   -0.0001464   -0.0000402
 C    5.0072320   12.2065067    1.8734514  0.00    0.0013272   -0.0000613    0.0000283
 H    4.6135850   11.4751154    2.5834427  0.00    0.0010693   -0.0006832    0.0029667
 H    6.0342588   11.9167072    1.6419683  0.00   -0.0016560   -0.0004728   -0.0003599
 H    4.4308105   12.1363747    0.9478082  0.00    0.0002955    0.0017668   -0.0028884
 C   -3.1701048   17.9787025    4.2643590  0.00    0.0011642   -0.0037525   -0.0012431
 C   -3.9454196   18.1574252    5.4338731  0.00   -0.0010088    0.0010108    0.0010418
 C   -4.8811157   19.1869410    5.4608517  0.00   -0.0005898    0.0007138   -0.0003566
 H   -5.4863833   19.3285145    6.3483760  0.00    0.0005950    0.0002671    0.0017201
 C   -5.0655472   20.0222407    4.3767302  0.00    0.0009179    0.0004186    0.0022463
 H   -5.8040989   20.8143225    4.4189310  0.00   -0.0020216   -0.0018925   -0.0005230
 C   -4.3054511   19.8444694    3.2356631  0.00   -0.0017390    0.0045917   -0.0042363
 H   -4.4643774   20.5010359    2.3891992  0.00    0.0017217    0.0001329    0.0016446
 C   -3.3527168   18.8358517    3.1496231  0.00    0.0031003   -0.0026790   -0.0010539
 C   -2.5977509   18.6575257    1.8480590  0.00   -0.0040898    0.0028220   -0.0016862
 H   -1.7004917   18.0581627    2.0526719  0.00   -0.0008647    0.0043354   -0.0013141
 C   -3.4319958   17.8749204    0.8311645  0.00    0.0011582   -0.0018692   -0.0001872
 H   -3.7062993   16.8877629    1.2030169  0.00   -0.0006673   -0.0012337    0.0034113
 H   -2.8727014   17.7452623   -0.0984113  0.00    0.0008718   -0.0013912    0.0001243
 H   -4.3502278   18.4195999    0.5957079  0.00    0.0006992   -0.0004296    0.0037518
 C   -2.1585726   19.9852827    1.2379161  0.00    0.0009105   -0.0002715   -0.0012560
 H   -3.0122754   20.5604105    0.8746021  0.00    0.0004371   -0.0000841   -0.0015407
 H   -1.5089201   19.8069750    0.3798380  0.00   -0.0001690    0.0019734   -0.0015460
 H   -1.6195280   20.6135815    1.9509681  0.00    0.0002434    0.0014961   -0.0011329
 C   -3.8381131   17.2482545    6.6375797  0.00   -0.0001576   -0.0015042   -0.0004338
 H   -2.9584007   16.6159237    6.5001442  0.00   -0.0042234    0.0049038    0.0013607
 C   -5.0512573   16.3230091    6.7405437  0.00   -0.0015851   -0.0015384   -0.0001193
 H   -5.9746893   16.8979426    6.8470161  0.00    0.0001135    0.0002863   -0.0018804
 H   -4.9597920   15.6765115    7.6167093  0.00   -0.0013206   -0.0008853   -0.0004267
 H   -5.1464295   15.6827773    5.8629960  0.00   -0.0001982    0.0018343   -0.0038618
 C   -3.6743530   18.0330281    7.9382517  0.00   -0.0005008   -0.0006631    0.0017974
 H   -2.8656602   18.7667114    7.8843040  0.00    0.0002999   -0.0018807    0.0001391
 H   -3.4604007   17.3525195    8.7655653  0.00   -0.0002947    0.0006287    0.0030159
 H   -4.5860496   18.5762810    8.1966629  0.00    0.0012647   -0.0023135    0.0022241
 C    2.7378865   18.1574568    4.2786447  0.00    0.0014484   -0.0036720    0.0030718
 C    2.8806149   18.9920532    3.1427422  0.00   -0.0062183   -0.0053629   -0.0055833
 C    3.7328321   20.0870557    3.2226182  0.00    0.0030612    0.0062757   -0.0049694
 H    3.8585836   20.7278748    2.3577044  0.00   -0.0015638   -0.0010590    0.0027628
 C    4.4347071   20.3685236    4.3799187  0.00    0.0008032    0.0032240    0.0005266
 H    5.0940151   21.2278310    4.4200800  0.00    0.0013031   -0.0021677   -0.0005976
 C    4.2997214   19.5463407    5.4820079  0.00   -0.0030804   -0.0053983   -0.0005349
 H    4.8665788   19.7651312    6.3789707  0.00    0.0002205    0.0011919    0.0026815
 C    3.4665188   18.4318144    5.4600153  0.00    0.0031003    0.0061413   -0.0032108
 C    3.4270236   17.5298281    6.6731025  0.00    0.0006189   -0.0012976    0.0009128
 H    2.5966844   16.8326102    6.5419858  0.00    0.0036428    0.0059785    0.0016554
 C    4.7055641   16.6962122    6.7746892  0.00    0.0012806   -0.0007590   -0.0001829
 H    4.8421029   16.0592801    5.8998938  0.00    0.0004704    0.0022371   -0.0033196
 H    4.6663688   16.0502064    7.6550999  0.00    0.0012965   -0.0007970   -0.0003914
 H    5.5849736   17.3380842    6.8716191  0.00   -0.0009978    0.0006327   -0.0019353
 C    3.2090494   18.3067649    7.9699337  0.00    0.0007022   -0.0011625    0.0009643
 H    4.0806407   18.9125831    8.2278001  0.00   -0.0017551   -0.0022681    0.0018815
 H    3.0419378   17.6160086    8.7994771  0.00    0.0004738    0.0009887    0.0036547
 H    2.3509436   18.9818790    7.9126376  0.00    0.0001202   -0.0016039    0.0008982
 C    2.1867733   18.7059669    1.8275900  0.00    0.0056423    0.0043355   -0.0002801
 H    1.4461577   17.9161941    1.9970411  0.00   -0.0017717    0.0014739   -0.0002651
 C    1.4628161   19.9328660    1.2820037  0.00   -0.0012835   -0.0021449   -0.0008073
 H    0.7597501   20.3535103    2.0058613  0.00   -0.0002848    0.0008506   -0.0018106
 H    0.9064602   19.6737551    0.3793741  0.00    0.0001401    0.0018954    0.0000916
 H    2.1633117   20.7257886    1.0130852  0.00   -0.0007259    0.0004093   -0.0021184
 C    3.1764268   18.1753204    0.7891159  0.00   -0.0010313   -0.0026776   -0.0005732
 H    3.9470001   18.9199690    0.5739309  0.00    0.0004890   -0.0006687    0.0026969
 H    2.6590847   17.9502234   -0.1464372  0.00    0.0004060   -0.0016053   -0.0001974
 H    3.6684809   17.2642383    1.1312862  0.00    0.0012407   -0.0003565    0.0028002
 C   -0.1870344   16.9660817    7.1167046  0.00   -0.0004789   -0.0013037    0.0020054
 H    0.6685488   17.5045538    7.5599217  0.00   -0.0003698   -0.0007536    0.0010890
 H   -1.0886715   17.4341417    7.5479430  0.00    0.0007032   -0.0008477    0.0010777
 C    1.4377469   14.3309426    7.2519888  0.00   -0.0004533   -0.0005102    0.0008241
 H    1.5450080   14.2982738    6.1646028  0.00   -0.0005645   -0.0003134    0.0006808
 H    1.4194729   13.2979316    7.6117686  0.00   -0.0003002   -0.0006959    0.0009977
 H    2.3367441   14.7966493    7.6629079  0.00    0.0008562    0.0000557    0.0009364
 C   -0.1295360   15.2742967    9.6870606  0.00   -0.0001698   -0.0002400   -0.0014899
 H    0.7321389   15.8265437   10.0716391  0.00   -0.0007678    0.0002887    0.0010056
 H   -0.0934446   14.2668778   10.1118428  0.00   -0.0000547    0.0024422   -0.0010595
 H   -1.0316162   15.7613970   10.0670102  0.00    0.0008922    0.0003153    0.0014456
 C   -1.6141907   14.2216476    7.2452913  0.00    0.0003334   -0.0002362    0.0005725
 H   -2.5450988   14.6222259    7.6538049  0.00   -0.0009953   -0.0005057    0.0008538
 H   -1.5242527   13.1920153    7.6039067  0.00    0.0007898   -0.0007278    0.0010393
 H   -1.7154731   14.1832209    6.1575291  0.00    0.0008333   -0.0003937    0.0008564
129
 Energy =   -2867.2893410480
 O   -0.1327375   15.5633333    3.8327060  0.00    0.0001751   -0.0034640   -0.0018162
Th   -0.2008020   17.7709758    4.8683531  0.00    0.0007723   -0.0030135    0.0015649
Si   -0.1229852   15.2102830    7.8119291  0.00    0.0001465    0.0023215   -0.0021273
 N   -2.1742342   16.9609668    4.2013756  0.00   -0.0009997   -0.0002476   -0.0008022
 N    1.8206158   17.0691443    4.2274695  0.00    0.0013579   -0.0009310   -0.0005781
 C   -2.5905409   13.1479525    2.6008287  0.00    0.0005277   -0.0003778   -0.0004447
 H   -2.6516335   12.1495704    2.1916201  0.00   -0.0028596    0.0017643   -0.0004904
 C   -3.7577938   13.8753088    2.7921884  0.00   -0.0012578    0.0018063    0.0001989
 C   -3.6649163   15.1675609    3.3237687  0.00   -0.0001771   -0.0007075    0.0003271
 H   -4.5535946   15.7693010    3.4705810  0.00   -0.0018263   -0.0000070   -0.0006704
 C   -2.4352074   15.7048894    3.6624821  0.00   -0.0055951    0.0008588   -0.0008648
 C    2.1582693   15.8380902    3.6754548  0.00   -0.0028950    0.0019660    0.0009853
 C    3.4180174   15.3797918    3.3331063  0.00    0.0081831    0.0007408   -0.0006540
 H    4.2688985   16.0326996    3.4871312  0.00   -0.0008017   -0.0028772   -0.0008712
 C    3.5890559   14.0974127    2.7966720  0.00   -0.0019818   -0.0000171    0.0001695
 C    2.4677948   13.3014456    2.6020267  0.00    0.0046555    0.0014179   -0.0002586
 H    2.5895633   12.3099311    2.1898086  0.00    0.0029337    0.0011264   -0.0005321
 C   -0.0501772   12.8470764    2.7044441  0.00    0.0002541    0.0008905    0.0004599
 C   -1.3238531   13.6536600    2.9186849  0.00   -0.0045704    0.0012738    0.0006581
 C   -1.3045120   14.9164485    3.4518330  0.00   -0.0025284    0.0002303   -0.0000691
 C    1.0762098   14.9860577    3.4563862  0.00    0.0058186    0.0008909   -0.0005785
 C    1.1724336   13.7285190    2.9196658  0.00    0.0001011    0.0037622    0.0019647
 C   -0.0151309   11.6892961    3.7151101  0.00   -0.0009232   -0.0017725    0.0023089
 H   -0.0264644   12.0623554    4.7409311  0.00   -0.0000129    0.0004736    0.0016102
 H    0.8879851   11.0910240    3.5798768  0.00    0.0030258   -0.0021429   -0.0023070
 H   -0.8803080   11.0372597    3.5799343  0.00   -0.0023227   -0.0019462   -0.0022489
 C   -0.0328409   12.2832015    1.2778760  0.00   -0.0012984    0.0002811    0.0001645
 H   -0.8909819   11.6328955    1.1064057  0.00   -0.0012086   -0.0021066    0.0002578
 H    0.8629872   11.6859204    1.1067779  0.00    0.0021390   -0.0024957    0.0004075
 H   -0.0569607   13.0848069    0.5375587  0.00   -0.0000637    0.0006241    0.0009216
 C   -5.1342605   13.3162799    2.4345429  0.00    0.0027016    0.0001353   -0.0000580
 C   -6.0205368   13.3033453    3.6855611  0.00    0.0004591    0.0001162   -0.0003676
 H   -5.5823713   12.6852302    4.4727573  0.00    0.0006484   -0.0013520   -0.0011720
 H   -7.0055726   12.8970031    3.4428768  0.00    0.0013914   -0.0004470    0.0007544
 H   -6.1697811   14.3074050    4.0879904  0.00   -0.0027307   -0.0005764    0.0006495
 C   -5.7813747   14.2078385    1.3677100  0.00    0.0002045    0.0000050    0.0005060
 H   -5.9086253   15.2343227    1.7184190  0.00   -0.0020540   -0.0000761   -0.0008359
 H   -6.7705050   13.8227775    1.1074291  0.00    0.0012189    0.0008676   -0.0013816
 H   -5.1778065   14.2339787    0.4571475  0.00    0.0013235   -0.0024381    0.0003811
 C   -5.0592077   11.8929879    1.8881859  0.00    0.0009952    0.0012584    0.0007583
 H   -4.4716976   11.8377319    0.9683757  0.00   -0.0011160    0.0020839   -0.0005854
 H   -6.0661712   11.5420734    1.6536549  0.00   -0.0002556   -0.0010771   -0.0007072
 H   -4.6317235   11.1981410    2.6154258  0.00   -0.0014652    0.0013296    0.0010539
 C    4.9977973   13.6203496    2.4463733  0.00   -0.0009369    0.0012110    0.0002279
 C    5.6112976   14.5644274    1.4053966  0.00   -0.0000506    0.0001923    0.0003720
 H    6.6210846   14.2340140    1.1494236  0.00   -0.0016874    0.0008914   -0.0011926
 H    5.6850293   15.5884259    1.7780979  0.00    0.0021316   -0.0004599   -0.0009305
 H    5.0173468   14.5795641    0.4882765  0.00   -0.0012842   -0.0025233    0.0003113
 C    5.8663504   13.6314753    3.7101252  0.00   -0.0003859    0.0003617   -0.0002420
 H    5.4536430   12.9725808    4.4777313  0.00   -0.0009836   -0.0013913   -0.0013867
 H    5.9508054   14.6336961    4.1355662  0.00    0.0025124   -0.0005800    0.0003275
 H    6.8766155   13.2875974    3.4743149  0.00   -0.0021083   -0.0003252    0.0004065
 C    5.0064564   12.2057997    1.8730673  0.00   -0.0006240    0.0006549    0.0005388
 H    4.6127035   11.4744249    2.5832565  0.00    0.0016080    0.0012449    0.0011126
 H    6.0332505   11.9156251    1.6413651  0.00   -0.0002425   -0.0007599   -0.0004596
 H    4.4299107   12.1359255    0.9473120  0.00    0.0010207    0.0018768   -0.0005625
 C   -3.1695988   17.9791018    4.2644712  0.00   -0.0004468   -0.0032127   -0.0023578
 C   -3.9448815   18.1579096    5.4339803  0.00   -0.0018055   -0.0015126    0.0034314
 C   -4.8804066   19.1875552    5.4613453  0.00    0.0002489    0.0017568   -0.0042047
 H   -5.4857238   19.3291420    6.3487005  0.00    0.0001316   -0.0000707    0.0033554
 C   -5.0649438   20.0229142    4.3771551  0.00    0.0044493   -0.0013112    0.0034484
 H   -5.8035726   20.8147450    4.4193116  0.00   -0.0029984    0.0000178   -0.0001451
 C   -4.3044794   19.8456155    3.2362031  0.00    0.0004563    0.0004816   -0.0000897
 H   -4.4632341   20.5023482    2.3901048  0.00    0.0016429    0.0023744   -0.0013547
 C   -3.3518878   18.8366641    3.1499694  0.00   -0.0001557   -0.0001681   -0.0015761
 C   -2.5971086   18.6581281    1.8483729  0.00   -0.0018765    0.0035151   -0.0025931
 H   -1.6992370   18.0596623    2.0532252  0.00   -0.0009318    0.0041170   -0.0011089
 C   -3.4309850   17.8743151    0.8321544  0.00    0.0002761   -0.0018580    0.0007564
 H   -3.7050661   16.8875579    1.2051144  0.00   -0.0003204   -0.0021480    0.0031461
 H   -2.8719983   17.7439694   -0.0975627  0.00    0.0008192   -0.0009929    0.0011184
 H   -4.3494578   18.4186617    0.5968818  0.00    0.0004319   -0.0008415    0.0025432
 C   -2.1588771   19.9856167    1.2371107  0.00    0.0009736    0.0015514   -0.0001553
 H   -3.0128266   20.5598234    0.8730651  0.00   -0.0006194   -0.0001935   -0.0020232
 H   -1.5088079   19.8073049    0.3794488  0.00    0.0004247    0.0007879   -0.0027699
 H   -1.6203894   20.6151224    1.9495555  0.00   -0.0000852    0.0016039   -0.0005403
 C   -3.8377361   17.2479867    6.6372522  0.00   -0.0030975    0.0016385    0.0013025
 H   -2.9580709   16.6159414    6.4998109  0.00   -0.0025155    0.0027218    0.0003072
 C   -5.0512463   16.3231065    6.7395760  0.00   -0.0005247   -0.0009631   -0.0007605
 H   -5.9742839   16.8987421    6.8457291  0.00   -0.0000736   -0.0004965   -0.0014097
 H   -4.9604677   15.6761509    7.6155635  0.00   -0.0014949   -0.0000572   -0.0017872
 H   -5.1462899   15.6836215    5.8615124  0.00   -0.0007236    0.0008168   -0.0035320
 C   -3.6742363   18.0319100    7.9385189  0.00    0.0000154   -0.0009658    0.0015040
 H   -2.8657809   18.7658247    7.8851970  0.00    0.0006472   -0.0009464   -0.0000969
 H   -3.4598720   17.3509702    8.7653301  0.00   -0.0005189   -0.0001958    0.0029239
 H   -4.5860720   18.5745866    8.1974563  0.00    0.0006160   -0.0019615    0.0023594
 C    2.7373855   18.1576803    4.2789022  0.00    0.0035134    0.0015903   -0.0020746
 C    2.8799236   18.9924733    3.1428294  0.00   -0.0019160   -0.0055291    0.0014394
 C    3.7321200   20.0877475    3.2229627  0.00   -0.0019097    0.0007518   -0.0077749
 H    3.8579159   20.7284089    2.3580854  0.00   -0.0014136    0.0007422    0.0007997
 C    4.4341040   20.3689311    4.3800813  0.00    0.0015185    0.0059831    0.0019657
 H    5.0936598   21.2280857    4.4200752  0.00    0.0008586   -0.0019140   -0.0002568
 C    4.2988196   19.5470071    5.4822472  0.00    0.0017716   -0.0006718    0.0037669
 H    4.8657125   19.7661192    6.3793084  0.00   -0.0014698    0.0002377    0.0005292
 C    3.4659897   18.4325866    5.4601868  0.00   -0.0023144   -0.0038210   -0.0011170
 C    3.4266158   17.5298940    6.6729083  0.00    0.0022369    0.0021192    0.0022092
 H    2.5962634   16.8329303    6.5419603  0.00    0.0029284    0.0043044    0.0003316
 C    4.7054388   16.6966891    6.7736540  0.00    0.0010661   -0.0004054   -0.0007196
 H    4.8416891   16.0606516    5.8982747  0.00    0.0011065    0.0009007   -0.0036394
 H    4.6671911   16.0500892    7.6537002  0.00    0.0011005   -0.0002254   -0.0010630
 H    5.5844765   17.3391113    6.8702167  0.00   -0.0007066    0.0002236   -0.0014183
 C    3.2089162   18.3059983    7.9702605  0.00    0.0001545   -0.0011285    0.0017879
 H    4.0802826   18.9119687    8.2282490  0.00   -0.0008487   -0.0016645    0.0020407
 H    3.0421521   17.6148831    8.7995796  0.00    0.0011433    0.0003855    0.0029579
 H    2.3505823   18.9807876    7.9137727  0.00   -0.0006541   -0.0008794    0.0006732
 C    2.1863828   18.7060008    1.8279331  0.00    0.0001924    0.0029660   -0.0043710
 H    1.4451199   17.9167098    1.9975877  0.00   -0.0004211    0.0024932    0.0002153
 C    1.4628631   19.9326927    1.2812551  0.00   -0.0002126    0.0001841    0.0005994
 H    0.7603106   20.3547016    2.0048122  0.00   -0.0001508    0.0011812   -0.0007641
 H    0.9057929   19.6731934    0.3793450  0.00   -0.0006879    0.0000922   -0.0019261
 H    2.1635463   20.7250021    1.0110047  0.00   -0.0000641    0.0001417   -0.0023065
 C    3.1758270   18.1742591    0.7898403  0.00    0.0006468   -0.0012041    0.0006503
 H    3.9468342   18.9186448    0.5752332  0.00    0.0008527   -0.0011804    0.0014092
 H    2.6590131   17.9490804   -0.1460318  0.00    0.0002152   -0.0012635    0.0009724
 H    3.6674783   17.2633513    1.1328360  0.00    0.0010870   -0.0017418    0.0023919
 C   -0.1872582   16.9663959    7.1168208  0.00    0.0000702    0.0002552    0.0018769
 H    0.6681099   17.5050376    7.5603577  0.00   -0.0007028   -0.0017944    0.0002140
 H   -1.0888255   17.4346290    7.5480974  0.00    0.0006715   -0.0020115    0.0004784
 C    1.4377213   14.3307799    7.2526655  0.00    0.0009333   -0.0006374    0.0013803
 H    1.5460842   14.2972049    6.1654736  0.00   -0.0013283    0.0000750    0.0000868
 H    1.4188869   13.2980018    7.6131107  0.00   -0.0005990   -0.0010217    0.0011641
 H    2.3367108   14.7961446    7.6639928  0.00    0.0004878    0.0004669    0.0011678
 C   -0.1295311   15.2747771    9.6871566  0.00   -0.0000496   -0.0001815   -0.0014511
 H    0.7321637   15.8273209   10.0712682  0.00   -0.0009485    0.0004473    0.0010680
 H   -0.0934713   14.2677027   10.1128284  0.00   -0.0001320    0.0029325   -0.0017314
 H   -1.0315986   15.7622374   10.0666362  0.00    0.0008076    0.0005784    0.0017573
 C   -1.6140865   14.2213545    7.2458577  0.00   -0.0006937   -0.0009743    0.0017035
 H   -2.5449170   14.6216313    7.6547863  0.00   -0.0013167    0.0000761    0.0012203
 H   -1.5237523   13.1919181    7.6049767  0.00    0.0012103   -0.0008357    0.0012210
 H   -1.7163439   14.1821179    6.1582990  0.00    0.0014461    0.0001488   -0.0004054
129
 Energy =   -2867.2893512630
 O   -0.1328543   15.5637228    3.8329004  0.00    0.0012875   -0.0023677   -0.0021391
Th   -0.2008751   17.7710830    4.8675094  0.00    0.0016647   -0.0013213    0.0064071
Si   -0.1230872   15.2108816    7.8122304  0.00    0.0006689    0.0021548   -0.0012587
 N   -2.1742551   16.9611895    4.2006266  0.00   -0.0004398    0.0005256    0.0012150
 N    1.8205834   17.0690966    4.2274098  0.00    0.0024015    0.0006743    0.0001505
 C   -2.5903131   13.1484168    2.6003376  0.00    0.0034389    0.0000518    0.0000787
 H   -2.6504679   12.1501775    2.1907819  0.00   -0.0041375    0.0015200   -0.0002225
 C   -3.7577922   13.8752713    2.7915276  0.00   -0.0002103   -0.0013960   -0.0006967
 C   -3.6653339   15.1675105    3.3232596  0.00   -0.0002513    0.0011892    0.0016119
 H   -4.5539819   15.7694169    3.4703388  0.00   -0.0013330   -0.0013049   -0.0014639
 C   -2.4356463   15.7051976    3.6619933  0.00   -0.0053734    0.0012049   -0.0001214
 C    2.1586628   15.8383004    3.6751390  0.00   -0.0060198    0.0035702    0.0035982
 C    3.4183367   15.3797251    3.3327124  0.00    0.0089600    0.0030761   -0.0003001
 H    4.2691735   16.0328544    3.4868041  0.00   -0.0017610   -0.0047430   -0.0014981
 C    3.5890505   14.0972601    2.7961299  0.00   -0.0017185   -0.0008419    0.0005427
 C    2.4675597   13.3019058    2.6017587  0.00    0.0010248   -0.0030298   -0.0018628
 H    2.5882305   12.3102267    2.1891869  0.00    0.0040617    0.0041038    0.0009861
 C   -0.0501885   12.8484558    2.7047452  0.00   -0.0001866    0.0002114   -0.0000083
 C   -1.3239804   13.6544831    2.9186616  0.00   -0.0032965    0.0020723    0.0005690
 C   -1.3047593   14.9170914    3.4518174  0.00   -0.0011448   -0.0022164   -0.0013049
 C    1.0762423   14.9866396    3.4564666  0.00    0.0077645    0.0020693   -0.0007794
 C    1.1725201   13.7294175    2.9197605  0.00   -0.0034319    0.0018781    0.0010191
 C   -0.0151333   11.6916479    3.7159980  0.00    0.0001177   -0.0043061    0.0010462
 H   -0.0263955   12.0664100    4.7410966  0.00   -0.0001265   -0.0016540    0.0037198
 H    0.8879048   11.0932329    3.5811869  0.00    0.0040434   -0.0022337   -0.0015383
 H   -0.8800934   11.0393841    3.5813543  0.00   -0.0041032   -0.0024722   -0.0015503
 C   -0.0328847   12.2855634    1.2782007  0.00    0.0001114   -0.0031349   -0.0010822
 H   -0.8907038   11.6351612    1.1060704  0.00   -0.0031215   -0.0018701   -0.0003056
 H    0.8628013   11.6882630    1.1065834  0.00    0.0031522   -0.0017963   -0.0002645
 H   -0.0569804   13.0883769    0.5392832  0.00   -0.0001184   -0.0007896   -0.0018238
 C   -5.1334038   13.3145662    2.4332348  0.00    0.0038126    0.0021834    0.0012556
 C   -6.0199302   13.3018199    3.6843659  0.00    0.0025092    0.0006610   -0.0030993
 H   -5.5816517   12.6844649    4.4723661  0.00   -0.0007188    0.0007966   -0.0038311
 H   -7.0048696   12.8953191    3.4416519  0.00    0.0011255   -0.0009728    0.0013024
 H   -6.1691574   14.3067021    4.0851386  0.00   -0.0031675   -0.0039102    0.0019082
 C   -5.7806298   14.2064353    1.3664754  0.00    0.0011710   -0.0022316    0.0025525
 H   -5.9081208   15.2324980    1.7187858  0.00   -0.0019207   -0.0017986   -0.0041221
 H   -6.7696459   13.8210815    1.1063852  0.00    0.0003912    0.0013618   -0.0025376
 H   -5.1770432   14.2332491    0.4556912  0.00   -0.0005079   -0.0019318    0.0038633
 C   -5.0563231   11.8910742    1.8867765  0.00   -0.0006705    0.0030907    0.0007105
 H   -4.4686242   11.8365297    0.9668172  0.00   -0.0019998    0.0025801    0.0026844
 H   -6.0627372   11.5388268    1.6516462  0.00   -0.0002582    0.0000400    0.0001549
 H   -4.6283966   11.1963598    2.6141505  0.00   -0.0022559    0.0039706   -0.0008667
 C    4.9970671   13.6185375    2.4451780  0.00   -0.0026053    0.0032032    0.0016592
 C    5.6105121   14.5628703    1.4041678  0.00   -0.0011567   -0.0017624    0.0021501
 H    6.6201627   14.2322130    1.1482451  0.00   -0.0005755    0.0013039   -0.0022692
 H    5.6844611   15.5864572    1.7784039  0.00    0.0021427   -0.0023611   -0.0044243
 H    5.0163893   14.5785585    0.4868930  0.00    0.0006326   -0.0019139    0.0040650
 C    5.8659120   13.6299260    3.7090043  0.00   -0.0023206    0.0008147   -0.0025204
 H    5.4530674   12.9718605    4.4775529  0.00    0.0002309    0.0010845   -0.0042861
 H    5.9505179   14.6330220    4.1327291  0.00    0.0029514   -0.0040285    0.0014089
 H    6.8760251   13.2857262    3.4731419  0.00   -0.0017000   -0.0008200    0.0008266
 C    5.0034982   12.2036594    1.8718910  0.00    0.0004216    0.0025865    0.0005298
 H    4.6092456   11.4726208    2.5824324  0.00    0.0023234    0.0036837   -0.0009859
 H    6.0296750   11.9118927    1.6393889  0.00    0.0003113    0.0003094    0.0003641
 H    4.4264876   12.1345782    0.9461303  0.00    0.0019507    0.0020674    0.0027006
 C   -3.1681966   17.9802526    4.2647732  0.00   -0.0040669    0.0015019   -0.0062498
 C   -3.9432317   18.1592059    5.4345096  0.00    0.0012399   -0.0050583    0.0045840
 C   -4.8775867   19.1898095    5.4628801  0.00   -0.0033338    0.0017020   -0.0037986
 H   -5.4830167   19.3317324    6.3502288  0.00    0.0016755   -0.0017925    0.0027451
 C   -5.0617979   20.0257309    4.3790802  0.00    0.0071835   -0.0002187    0.0033681
 H   -5.8003849   20.8175555    4.4213504  0.00   -0.0025511    0.0007611    0.0005346
 C   -4.3007571   19.8494263    3.2383312  0.00    0.0003255   -0.0037221   -0.0013449
 H   -4.4588753   20.5074321    2.3932202  0.00    0.0019025    0.0024821   -0.0032858
 C   -3.3492848   18.8393477    3.1509129  0.00   -0.0022490   -0.0003401    0.0020923
 C   -2.5947469   18.6601428    1.8492764  0.00    0.0033585    0.0010574   -0.0020840
 H   -1.6950012   18.0644055    2.0552370  0.00   -0.0036602    0.0041494   -0.0020044
 C   -3.4271473   17.8721668    0.8351102  0.00   -0.0018652    0.0006650    0.0010630
 H   -3.7001943   16.8863549    1.2110429  0.00    0.0000403   -0.0041276    0.0024459
 H   -2.8686940   17.7400457   -0.0948394  0.00    0.0002111    0.0002177    0.0038872
 H   -4.3464206   18.4151063    0.5997108  0.00    0.0001341   -0.0015168    0.0003740
 C   -2.1595906   19.9868393    1.2347295  0.00    0.0026625    0.0060266   -0.0010343
 H   -3.0145559   20.5578494    0.8680759  0.00   -0.0013576    0.0000267   -0.0015774
 H   -1.5080814   19.8081777    0.3782634  0.00   -0.0004916   -0.0006260   -0.0037849
 H   -1.6231158   20.6200196    1.9453854  0.00   -0.0001544    0.0010357    0.0012565
 C   -3.8366572   17.2471294    6.6363266  0.00   -0.0051725    0.0052248    0.0046065
 H   -2.9569126   16.6155838    6.4984171  0.00   -0.0016548   -0.0003360   -0.0010866
 C   -5.0509162   16.3230426    6.7366683  0.00   -0.0003684    0.0011998   -0.0027396
 H   -5.9729764   16.9004470    6.8419716  0.00   -0.0009278   -0.0026866   -0.0002258
 H   -4.9621413   15.6749530    7.6121210  0.00   -0.0010488    0.0010656   -0.0034867
 H   -5.1456998   15.6853235    5.8573415  0.00   -0.0014038   -0.0012631   -0.0028082
 C   -3.6735615   18.0281723    7.9392711  0.00    0.0007330    0.0010596    0.0017423
 H   -2.8658107   18.7628661    7.8876700  0.00    0.0010101    0.0005399   -0.0010090
 H   -3.4578201   17.3456908    8.7643609  0.00   -0.0015222   -0.0015094    0.0037560
 H   -4.5858857   18.5690857    8.1999813  0.00    0.0000709   -0.0009260    0.0021877
 C    2.7360149   18.1586407    4.2793610  0.00    0.0045127    0.0034257   -0.0050159
 C    2.8777938   18.9937223    3.1433854  0.00   -0.0005558   -0.0027499    0.0018427
 C    3.7290412   20.0899309    3.2238943  0.00   -0.0005787   -0.0045232   -0.0060431
 H    3.8550656   20.7308300    2.3594293  0.00   -0.0023685    0.0016722   -0.0022423
 C    4.4311604   20.3710982    4.3810334  0.00   -0.0018730    0.0062482    0.0008531
 H    5.0908849   21.2301047    4.4206903  0.00    0.0003796   -0.0009573    0.0003994
 C    4.2955993   19.5496123    5.4835146  0.00    0.0040576   -0.0002639    0.0018871
 H    4.8620922   19.7698584    6.3805801  0.00   -0.0019596   -0.0018498    0.0011133
 C    3.4638813   18.4344356    5.4608339  0.00   -0.0049167   -0.0082182    0.0018048
 C    3.4252289   17.5301035    6.6724256  0.00    0.0052979    0.0060039    0.0059696
 H    2.5948672   16.8336385    6.5415047  0.00    0.0011586   -0.0002518   -0.0016961
 C    4.7048608   16.6979087    6.7705613  0.00    0.0000275    0.0001336   -0.0021142
 H    4.8402620   16.0640366    5.8936337  0.00    0.0023749   -0.0018488   -0.0038460
 H    4.6692784   16.0497757    7.6496476  0.00   -0.0000238    0.0009725   -0.0019742
 H    5.5828702   17.3417682    6.8660716  0.00    0.0011324   -0.0003746   -0.0000043
 C    3.2081664   18.3034914    7.9713174  0.00   -0.0015130    0.0012998    0.0021967
 H    4.0788592   18.9100567    8.2296474  0.00    0.0011402   -0.0006654    0.0025112
 H    3.0426252   17.6109424    8.7996199  0.00    0.0020345   -0.0008935    0.0031222
 H    2.3488856   18.9770970    7.9171199  0.00   -0.0013692    0.0011194   -0.0002235
 C    2.1845233   18.7060496    1.8285995  0.00   -0.0044514    0.0004535   -0.0045227
 H    1.4416043   17.9184121    1.9995777  0.00    0.0013994    0.0028062   -0.0001736
 C    1.4628587   19.9323079    1.2789619  0.00   -0.0026223    0.0041114   -0.0009683
 H    0.7621551   20.3585847    2.0017435  0.00   -0.0000207    0.0006395    0.0012484
 H    0.9032844   19.6711111    0.3791260  0.00    0.0006784   -0.0012492   -0.0032771
 H    2.1643536   20.7223379    1.0041620  0.00    0.0009927    0.0001431   -0.0009302
 C    3.1734400   18.1706316    0.7919784  0.00    0.0024670    0.0022838    0.0011181
 H    3.9459722   18.9137226    0.5785637  0.00    0.0016919   -0.0013191   -0.0014897
 H    2.6577542   17.9454432   -0.1447164  0.00    0.0007311   -0.0004711    0.0045483
 H    3.6633458   17.2596856    1.1369979  0.00    0.0011821   -0.0038685    0.0016632
 C   -0.1879310   16.9672981    7.1170390  0.00    0.0004228   -0.0011302    0.0002560
 H    0.6666684   17.5064095    7.5612848  0.00    0.0012707   -0.0024822   -0.0004891
 H   -1.0894363   17.4358084    7.5480492  0.00   -0.0006023   -0.0037078    0.0001402
 C    1.4379024   14.3302884    7.2550910  0.00    0.0020239   -0.0026823    0.0021732
 H    1.5494403   14.2941744    6.1683642  0.00   -0.0038183    0.0016976   -0.0008645
 H    1.4173031   13.2981348    7.6174474  0.00   -0.0007469   -0.0006739    0.0006294
 H    2.3366334   14.7948358    7.6677346  0.00    0.0011130    0.0021634    0.0016610
 C   -0.1295464   15.2767025    9.6876473  0.00   -0.0003106    0.0028738   -0.0029527
 H    0.7321401   15.8303348   10.0702791  0.00   -0.0013068    0.0002053    0.0018753
 H   -0.0936369   14.2708883   10.1162345  0.00   -0.0001778    0.0023245   -0.0040553
 H   -1.0315812   15.7654712   10.0655675  0.00    0.0010077    0.0002823    0.0030240
 C   -1.6139672   14.2204754    7.2479589  0.00   -0.0022391   -0.0023829    0.0021717
 H   -2.5443934   14.6201834    7.6582032  0.00   -0.0026357    0.0013976    0.0016804
 H   -1.5224363   13.1915924    7.6084385  0.00    0.0018882   -0.0007881    0.0012593
 H   -1.7190794   14.1790868    6.1607933  0.00    0.0037462    0.0019235   -0.0013414
129
 Energy =   -2867.2893558090
 O   -0.1328272   15.5636303    3.8326950  0.00    0.0005715   -0.0007994   -0.0007161
Th   -0.2008249   17.7710167    4.8677024  0.00    0.0010768   -0.0016591    0.0037264
Si   -0.1230496   15.2107598    7.8121961  0.00    0.0003740    0.0001275   -0.0016074
 N   -2.1743495   16.9612632    4.2007076  0.00   -0.0014610   -0.0005491   -0.0001391
 N    1.8206849   17.0692071    4.2274201  0.00    0.0026113    0.0015219    0.0009299
 C   -2.5904986   13.1484861    2.6004290  0.00    0.0027392    0.0006337   -0.0002642
 H   -2.6511079   12.1503279    2.1908371  0.00   -0.0028574    0.0009315   -0.0003245
 C   -3.7578713   13.8754504    2.7915959  0.00    0.0001128    0.0002465    0.0006862
 C   -3.6654060   15.1677049    3.3233955  0.00   -0.0017358   -0.0006379   -0.0000159
 H   -4.5540772   15.7695800    3.4702914  0.00   -0.0016061   -0.0010134   -0.0010831
 C   -2.4357879   15.7053366    3.6620117  0.00   -0.0017194   -0.0002519    0.0000924
 C    2.1586364   15.8385451    3.6752385  0.00    0.0010977   -0.0002882    0.0006290
 C    3.4184790   15.3799411    3.3328050  0.00    0.0025900    0.0025962    0.0002178
 H    4.2692127   16.0329070    3.4868403  0.00    0.0005831   -0.0027021   -0.0009494
 C    3.5891301   14.0975185    2.7962443  0.00   -0.0018748   -0.0013832    0.0003903
 C    2.4677556   13.3019500    2.6018000  0.00   -0.0007283    0.0009637   -0.0001434
 H    2.5888805   12.3104733    2.1892664  0.00    0.0031285    0.0016023    0.0000598
 C   -0.0502166   12.8485517    2.7049050  0.00   -0.0004520   -0.0027813   -0.0013199
 C   -1.3241698   13.6545376    2.9187177  0.00   -0.0011108   -0.0009406   -0.0003761
 C   -1.3049090   14.9170532    3.4517562  0.00   -0.0003054    0.0023309    0.0007620
 C    1.0764794   14.9867538    3.4564099  0.00    0.0019530    0.0001192   -0.0001934
 C    1.1726078   13.7294455    2.9197920  0.00   -0.0006374    0.0022385    0.0006841
 C   -0.0151285   11.6914277    3.7160750  0.00   -0.0004967   -0.0017100    0.0015805
 H   -0.0264113   12.0663028    4.7412917  0.00   -0.0000574   -0.0029621    0.0015750
 H    0.8880492   11.0931298    3.5810702  0.00    0.0026893   -0.0018171   -0.0010139
 H   -0.8802688   11.0392761    3.5812219  0.00   -0.0023922   -0.0017799   -0.0009116
 C   -0.0328789   12.2854555    1.2782815  0.00   -0.0005469   -0.0006990   -0.0006172
 H   -0.8908346   11.6351224    1.1061910  0.00   -0.0020247   -0.0013920   -0.0003144
 H    0.8629097   11.6882370    1.1067224  0.00    0.0024709   -0.0016090   -0.0003351
 H   -0.0569930   13.0884823    0.5394529  0.00   -0.0000296   -0.0023566   -0.0010964
 C   -5.1334643   13.3149860    2.4334522  0.00    0.0020305   -0.0001825    0.0000332
 C   -6.0199602   13.3020191    3.6844920  0.00    0.0011092    0.0003896   -0.0018204
 H   -5.5816513   12.6844834    4.4722674  0.00   -0.0003039    0.0006431   -0.0029429
 H   -7.0049031   12.8954276    3.4419023  0.00    0.0013336   -0.0009612    0.0007693
 H   -6.1694645   14.3066643    4.0856913  0.00   -0.0026569   -0.0030691    0.0014633
 C   -5.7806818   14.2066127    1.3666135  0.00    0.0003002   -0.0010704    0.0015648
 H   -5.9083116   15.2327911    1.7184826  0.00   -0.0015868   -0.0015865   -0.0033734
 H   -6.7696861   13.8213559    1.1063167  0.00    0.0004883    0.0008240   -0.0020358
 H   -5.1770153   14.2331561    0.4559462  0.00   -0.0000459   -0.0014751    0.0029539
 C   -5.0564777   11.8915250    1.8870140  0.00   -0.0001995    0.0030570    0.0010484
 H   -4.4687179   11.8371190    0.9671558  0.00   -0.0015389    0.0021376    0.0018851
 H   -6.0627856   11.5390665    1.6518261  0.00   -0.0006682    0.0003174    0.0001723
 H   -4.6285288   11.1970013    2.6144894  0.00   -0.0018868    0.0031507   -0.0007315
 C    4.9971475   13.6189952    2.4453933  0.00   -0.0017754    0.0008943    0.0005677
 C    5.6105627   14.5630834    1.4042964  0.00   -0.0000305   -0.0011749    0.0013227
 H    6.6201950   14.2324901    1.1482102  0.00   -0.0005944    0.0008357   -0.0019232
 H    5.6846675   15.5867584    1.7781026  0.00    0.0018064   -0.0016164   -0.0035403
 H    5.0163926   14.5784840    0.4871360  0.00    0.0000140   -0.0014575    0.0030082
 C    5.8659131   13.6301461    3.7091404  0.00   -0.0008459    0.0003942   -0.0017698
 H    5.4530269   12.9718793    4.4774077  0.00   -0.0001877    0.0008266   -0.0032086
 H    5.9507797   14.6329939    4.1332669  0.00    0.0025069   -0.0028775    0.0012056
 H    6.8760105   13.2858640    3.4733511  0.00   -0.0016291   -0.0008950    0.0004615
 C    5.0036366   12.2041361    1.8721143  0.00    0.0000770    0.0027151    0.0010171
 H    4.6093588   11.4732592    2.5827414  0.00    0.0019767    0.0029354   -0.0008104
 H    6.0297281   11.9121769    1.6395819  0.00    0.0007614    0.0005025    0.0003000
 H    4.4265844   12.1351673    0.9464415  0.00    0.0014654    0.0017006    0.0019056
 C   -3.1686447   17.9799925    4.2645615  0.00   -0.0034052   -0.0005269   -0.0008187
 C   -3.9436479   18.1588353    5.4344967  0.00   -0.0007289   -0.0002458    0.0017866
 C   -4.8780457   19.1895571    5.4627308  0.00    0.0002777    0.0001683   -0.0030093
 H   -5.4832477   19.3315825    6.3501938  0.00    0.0010368   -0.0015697    0.0026647
 C   -5.0619493   20.0255464    4.3789599  0.00    0.0033721   -0.0007853    0.0016735
 H   -5.8009127   20.8171348    4.4210937  0.00   -0.0009411    0.0004879    0.0005922
 C   -4.3012120   19.8489335    3.2380014  0.00   -0.0002033   -0.0001312    0.0005559
 H   -4.4593049   20.5070383    2.3928804  0.00    0.0020651    0.0017717   -0.0023978
 C   -3.3498116   18.8389057    3.1507057  0.00    0.0003333    0.0012139   -0.0016544
 C   -2.5951156   18.6599152    1.8489334  0.00    0.0003150    0.0034643   -0.0006379
 H   -1.6955910   18.0642323    2.0547991  0.00   -0.0006941    0.0023132   -0.0011000
 C   -3.4276532   17.8721523    0.8346889  0.00   -0.0004520   -0.0017011    0.0025509
 H   -3.7008417   16.8861643    1.2104871  0.00    0.0008985   -0.0016082    0.0020548
 H   -2.8691177   17.7401411   -0.0951929  0.00    0.0000727   -0.0001576    0.0033232
 H   -4.3467647   18.4152486    0.5993971  0.00   -0.0012385   -0.0011822   -0.0001556
 C   -2.1596161   19.9868155    1.2347475  0.00    0.0011122    0.0028645   -0.0014419
 H   -3.0145194   20.5580251    0.8683426  0.00   -0.0015698    0.0002510   -0.0019696
 H   -1.5082798   19.8081265    0.3781122  0.00   -0.0004083   -0.0003448   -0.0029631
 H   -1.6229674   20.6194574    1.9457072  0.00   -0.0002004    0.0021191    0.0009567
 C   -3.8371803   17.2471861    6.6365964  0.00   -0.0013281    0.0017743    0.0019064
 H   -2.9573050   16.6156927    6.4986705  0.00   -0.0024713    0.0000843   -0.0008198
 C   -5.0511792   16.3228205    6.7368880  0.00   -0.0006435    0.0005842   -0.0022873
 H   -5.9733158   16.8999712    6.8423218  0.00   -0.0017616   -0.0018909   -0.0003975
 H   -4.9622615   15.6747806    7.6123613  0.00   -0.0011871    0.0007987   -0.0035670
 H   -5.1459666   15.6850090    5.8575644  0.00   -0.0009891   -0.0003937   -0.0023045
 C   -3.6737641   18.0284376    7.9393096  0.00   -0.0001155    0.0000935    0.0028843
 H   -2.8658219   18.7628789    7.8872749  0.00    0.0008575    0.0009986   -0.0004122
 H   -3.4581752   17.3461837    8.7647256  0.00   -0.0013000   -0.0012770    0.0022500
 H   -4.5859509   18.5695629    8.1999498  0.00   -0.0002406   -0.0005452    0.0025236
 C    2.7365076   18.1584646    4.2791920  0.00    0.0018378    0.0008200   -0.0031702
 C    2.8782202   18.9933413    3.1431364  0.00    0.0000082   -0.0003184    0.0011776
 C    3.7295280   20.0895047    3.2236435  0.00   -0.0009851   -0.0014543   -0.0045990
 H    3.8554488   20.7306401    2.3592672  0.00   -0.0023292    0.0008110   -0.0017683
 C    4.4313865   20.3709841    4.3809740  0.00   -0.0004405    0.0025649   -0.0004408
 H    5.0913871   21.2297821    4.4206040  0.00   -0.0002311   -0.0004169    0.0003133
 C    4.2960575   19.5492612    5.4833743  0.00    0.0028884    0.0010693    0.0034567
 H    4.8624223   19.7696234    6.3806178  0.00   -0.0026693   -0.0021503   -0.0005656
 C    3.4643049   18.4340267    5.4607478  0.00   -0.0025809   -0.0033817    0.0019431
 C    3.4257449   17.5300887    6.6726672  0.00    0.0012960    0.0025261    0.0025331
 H    2.5952233   16.8337205    6.5416675  0.00    0.0020093    0.0000927   -0.0011919
 C    4.7051245   16.6975685    6.7707931  0.00    0.0011087    0.0005887   -0.0018677
 H    4.8406523   16.0636043    5.8938622  0.00    0.0016825   -0.0007839   -0.0029909
 H    4.6693678   16.0495465    7.6499594  0.00    0.0003061    0.0006721   -0.0022989
 H    5.5831843   17.3413536    6.8664370  0.00    0.0012229   -0.0004715   -0.0002156
 C    3.2083759   18.3036329    7.9713456  0.00    0.0003588    0.0006099    0.0032144
 H    4.0790591   18.9102308    8.2296547  0.00    0.0007645   -0.0002059    0.0026041
 H    3.0428915   17.6112920    8.7999017  0.00    0.0019966   -0.0008305    0.0019787
 H    2.3490516   18.9771080    7.9167856  0.00   -0.0016784    0.0014879    0.0002997
 C    2.1848164   18.7059513    1.8282638  0.00   -0.0025173    0.0021392   -0.0027252
 H    1.4420245   17.9183841    1.9992309  0.00   -0.0000582    0.0012687   -0.0000897
 C    1.4629168   19.9323483    1.2790176  0.00   -0.0013627    0.0021416   -0.0010895
 H    0.7620798   20.3580574    2.0019843  0.00    0.0000621    0.0014812    0.0010173
 H    0.9035851   19.6712826    0.3789885  0.00    0.0001653   -0.0012899   -0.0027983
 H    2.1642881   20.7225810    1.0046202  0.00    0.0013490    0.0003525   -0.0015656
 C    3.1738807   18.1708175    0.7916139  0.00    0.0017090   -0.0005637    0.0022391
 H    3.9462103   18.9140198    0.5781491  0.00    0.0025924   -0.0007990   -0.0015146
 H    2.6581017   17.9455451   -0.1449523  0.00    0.0007908   -0.0005453    0.0035998
 H    3.6640043   17.2597948    1.1365328  0.00   -0.0001054   -0.0018787    0.0013650
 C   -0.1878664   16.9669322    7.1169056  0.00    0.0004107   -0.0000829    0.0004412
 H    0.6668054   17.5060207    7.5610090  0.00    0.0011046   -0.0021435   -0.0000434
 H   -1.0894193   17.4353810    7.5478572  0.00   -0.0005812   -0.0033418    0.0004319
 C    1.4379809   14.3301508    7.2549683  0.00    0.0014456   -0.0002007    0.0010395
 H    1.5489665   14.2944968    6.1681228  0.00   -0.0028945    0.0009756    0.0000529
 H    1.4175972   13.2979474    7.6170359  0.00   -0.0008776   -0.0012808    0.0012037
 H    2.3367180   14.7949720    7.6674348  0.00    0.0004533    0.0012728    0.0014259
 C   -0.1295481   15.2765589    9.6875483  0.00   -0.0002264    0.0015040   -0.0014231
 H    0.7320620   15.8299594   10.0705941  0.00   -0.0006088    0.0007754    0.0013494
 H   -0.0936206   14.2706092   10.1158380  0.00   -0.0001861    0.0025193   -0.0038055
 H   -1.0314938   15.7650839   10.0659217  0.00    0.0003614    0.0007993    0.0023416
 C   -1.6140522   14.2203993    7.2478631  0.00   -0.0015061   -0.0005032    0.0012284
 H   -2.5445360   14.6203253    7.6579391  0.00   -0.0017263    0.0006070    0.0014146
 H   -1.5226239   13.1914532    7.6081250  0.00    0.0018199   -0.0009662    0.0015269
 H   -1.7186472   14.1794408    6.1605727  0.00    0.0028749    0.0012194   -0.0002974
129
 Energy =   -2867.2893622460
 O   -0.1327624   15.5632727    3.8323822  0.00    0.0003779    0.0031960    0.0011387
Th   -0.2006944   17.7707676    4.8677112  0.00    0.0000736   -0.0020646    0.0015532
Si   -0.1230404   15.2110615    7.8121307  0.00   -0.0002890   -0.0031853    0.0007218
 N   -2.1744848   16.9611416    4.2005231  0.00   -0.0005864    0.0010168    0.0005400
 N    1.8209161   17.0691509    4.2273719  0.00   -0.0010374    0.0013719    0.0009378
 C   -2.5905247   13.1484679    2.6002504  0.00   -0.0026596    0.0004854   -0.0006762
 H   -2.6518649   12.1504961    2.1904966  0.00   -0.0007206   -0.0000694   -0.0003298
 C   -3.7579238   13.8754056    2.7914138  0.00    0.0018789   -0.0002280    0.0010371
 C   -3.6656515   15.1675592    3.3233124  0.00   -0.0031611    0.0007748   -0.0007657
 H   -4.5544191   15.7694139    3.4700043  0.00   -0.0011699   -0.0012261   -0.0008249
 C   -2.4361211   15.7053378    3.6617806  0.00    0.0040389   -0.0020897    0.0011802
 C    2.1588335   15.8386582    3.6751962  0.00    0.0054245   -0.0030319   -0.0010388
 C    3.4187860   15.3799676    3.3326857  0.00   -0.0052949   -0.0004248   -0.0000497
 H    4.2694786   16.0325002    3.4866159  0.00    0.0040359    0.0004496   -0.0002065
 C    3.5890833   14.0974405    2.7961338  0.00    0.0016754    0.0026407    0.0012728
 C    2.4678884   13.3019209    2.6016308  0.00   -0.0038726    0.0020869    0.0008727
 H    2.5896463   12.3107118    2.1890362  0.00    0.0014314   -0.0010543   -0.0006858
 C   -0.0502955   12.8485718    2.7049969  0.00    0.0003369   -0.0044146   -0.0015970
 C   -1.3244044   13.6544824    2.9186004  0.00    0.0028860   -0.0014396    0.0002621
 C   -1.3051182   14.9169703    3.4515918  0.00    0.0006246    0.0022424   -0.0000156
 C    1.0768749   14.9867359    3.4562371  0.00   -0.0041055    0.0000590    0.0002595
 C    1.1726760   13.7294765    2.9196998  0.00    0.0018824   -0.0015231   -0.0005220
 C   -0.0151188   11.6912920    3.7163303  0.00   -0.0009001   -0.0001722    0.0005649
 H   -0.0264117   12.0667224    4.7415439  0.00    0.0000002   -0.0053318   -0.0008889
 H    0.8884036   11.0931672    3.5810921  0.00   -0.0009278   -0.0004874    0.0000873
 H   -0.8806108   11.0392720    3.5812574  0.00    0.0013264   -0.0001931    0.0002980
 C   -0.0328738   12.2854471    1.2782883  0.00   -0.0010233   -0.0000679   -0.0002024
 H   -0.8910812   11.6352173    1.1061245  0.00    0.0005247   -0.0001595   -0.0002408
 H    0.8631660   11.6883674    1.1067174  0.00    0.0001735   -0.0006723   -0.0003258
 H   -0.0570139   13.0890297    0.5399399  0.00    0.0000828   -0.0044436   -0.0012782
 C   -5.1332718   13.3148388    2.4332813  0.00   -0.0019335    0.0002706   -0.0003086
 C   -6.0198024   13.3017522    3.6840677  0.00   -0.0014347   -0.0008925    0.0002439
 H   -5.5815134   12.6843664    4.4717643  0.00    0.0009602   -0.0009529   -0.0010749
 H   -7.0047715   12.8949198    3.4419116  0.00    0.0018155   -0.0009736   -0.0005326
 H   -6.1697595   14.3060569    4.0856398  0.00   -0.0021402   -0.0006601    0.0013628
 C   -5.7805823   14.2061911    1.3665353  0.00   -0.0014179   -0.0002319   -0.0007099
 H   -5.9084122   15.2323737    1.7179198  0.00   -0.0014160    0.0004222   -0.0018139
 H   -6.7695792   13.8212104    1.1056902  0.00    0.0010418   -0.0002658   -0.0008634
 H   -5.1768172   14.2327315    0.4561381  0.00    0.0014503   -0.0013561    0.0003091
 C   -5.0562193   11.8915691    1.8868574  0.00   -0.0002327    0.0011783    0.0006758
 H   -4.4683175   11.8374041    0.9672296  0.00   -0.0005585    0.0016720    0.0000125
 H   -6.0622233   11.5383753    1.6514297  0.00   -0.0009682    0.0018009    0.0006408
 H   -4.6281153   11.1973169    2.6143118  0.00   -0.0011224    0.0015090    0.0004661
 C    4.9970490   13.6189010    2.4452680  0.00   -0.0003881    0.0000458   -0.0001642
 C    5.6104864   14.5626441    1.4041833  0.00    0.0016307   -0.0003926   -0.0003390
 H    6.6200792   14.2323182    1.1475810  0.00   -0.0007696   -0.0003753   -0.0009832
 H    5.6848077   15.5862967    1.7775053  0.00    0.0015925    0.0009491   -0.0019004
 H    5.0161864   14.5779971    0.4873374  0.00   -0.0016129   -0.0013733    0.0000515
 C    5.8657963   13.6298870    3.7087483  0.00    0.0013110   -0.0005358   -0.0001135
 H    5.4528443   12.9717851    4.4768829  0.00   -0.0013114   -0.0009986   -0.0011593
 H    5.9511140   14.6324087    4.1331773  0.00    0.0020432   -0.0002596    0.0014853
 H    6.8758578   13.2853350    3.4733096  0.00   -0.0014185   -0.0010831   -0.0006722
 C    5.0033488   12.2041516    1.8720082  0.00    0.0010758    0.0013967    0.0008284
 H    4.6089333   11.4735463    2.5826437  0.00    0.0011840    0.0012333    0.0004610
 H    6.0291864   11.9114087    1.6392068  0.00    0.0007266    0.0020439    0.0008082
 H    4.4261256   12.1353731    0.9465804  0.00    0.0004528    0.0013475   -0.0000353
 C   -3.1686780   17.9799372    4.2644276  0.00    0.0011870   -0.0002769    0.0029181
 C   -3.9432797   18.1588627    5.4347820  0.00   -0.0023551    0.0018024   -0.0014322
 C   -4.8773464   19.1898930    5.4629870  0.00    0.0012798   -0.0003507    0.0023902
 H   -5.4822392   19.3319772    6.3508375  0.00    0.0016843   -0.0013762   -0.0001820
 C   -5.0606475   20.0261994    4.3795084  0.00   -0.0037633    0.0010783   -0.0019751
 H   -5.8004109   20.8173113    4.4213997  0.00    0.0027227   -0.0005968    0.0009034
 C   -4.3002445   19.8495001    3.2382966  0.00   -0.0004099    0.0032590   -0.0000036
 H   -4.4579114   20.5081114    2.3932897  0.00    0.0017706   -0.0001262   -0.0001331
 C   -3.3491854   18.8392870    3.1507774  0.00   -0.0004930    0.0011312   -0.0026512
 C   -2.5943854   18.6605745    1.8488662  0.00   -0.0044370    0.0040217   -0.0001059
 H   -1.6947634   18.0655882    2.0546797  0.00    0.0033246   -0.0006671    0.0001081
 C   -3.4269484   17.8716950    0.8353853  0.00   -0.0001198   -0.0002075    0.0028853
 H   -3.6998611   16.8857134    1.2117732  0.00    0.0015677    0.0005276    0.0015568
 H   -2.8685542   17.7394465   -0.0944666  0.00    0.0003889   -0.0005632    0.0021373
 H   -4.3461452   18.4146218    0.6000429  0.00   -0.0015094   -0.0017014   -0.0003486
 C   -2.1594253   19.9876180    1.2341017  0.00   -0.0011662   -0.0013071    0.0001898
 H   -3.0147852   20.5578941    0.8672919  0.00   -0.0008341    0.0013363   -0.0016193
 H   -1.5079896   19.8086225    0.3775565  0.00   -0.0005214    0.0004527   -0.0020751
 H   -1.6233078   20.6205451    1.9452580  0.00   -0.0002724    0.0021820   -0.0005875
 C   -3.8372056   17.2472198    6.6369628  0.00    0.0005057   -0.0004311   -0.0023525
 H   -2.9573828   16.6157269    6.4987168  0.00   -0.0018521   -0.0005374   -0.0001931
 C   -5.0512038   16.3228298    6.7361757  0.00   -0.0009774    0.0000215   -0.0009505
 H   -5.9732451   16.8999659    6.8416611  0.00   -0.0031818   -0.0011239   -0.0006595
 H   -4.9627907   15.6745463    7.6114557  0.00   -0.0007334   -0.0000586   -0.0029347
 H   -5.1458885   15.6852831    5.8565573  0.00   -0.0002976    0.0005465   -0.0014366
 C   -3.6735834   18.0279569    7.9399148  0.00    0.0001094   -0.0006505    0.0019375
 H   -2.8656284   18.7624438    7.8874664  0.00   -0.0003430    0.0005774    0.0007730
 H   -3.4577672   17.3454658    8.7651947  0.00   -0.0012029   -0.0004661    0.0009267
 H   -4.5858671   18.5686485    8.2008816  0.00   -0.0004867    0.0009435    0.0027892
 C    2.7365012   18.1584522    4.2790054  0.00   -0.0011790    0.0006681    0.0032212
 C    2.8775935   18.9933668    3.1430670  0.00    0.0011991    0.0008603   -0.0014893
 C    3.7287193   20.0896151    3.2235288  0.00    0.0006405    0.0028843    0.0007608
 H    3.8542899   20.7312204    2.3594170  0.00   -0.0020035   -0.0000018   -0.0018966
 C    4.4302574   20.3715897    4.3812135  0.00    0.0007250   -0.0041695   -0.0007983
 H    5.0908795   21.2299168    4.4207286  0.00   -0.0015145    0.0008581    0.0001531
 C    4.2953554   19.5495987    5.4837489  0.00   -0.0024468    0.0007829   -0.0022008
 H    4.8612648   19.7701465    6.3811215  0.00   -0.0011661   -0.0015153    0.0004130
 C    3.4637106   18.4339996    5.4610186  0.00    0.0034469    0.0036999   -0.0009267
 C    3.4257079   17.5303445    6.6731392  0.00   -0.0033925   -0.0026767   -0.0033240
 H    2.5951458   16.8339699    6.5418007  0.00    0.0030059    0.0002210    0.0003123
 C    4.7050939   16.6977324    6.7701117  0.00    0.0021772    0.0009796   -0.0011387
 H    4.8405554   16.0641117    5.8927313  0.00    0.0006810    0.0008982   -0.0005303
 H    4.6698569   16.0495067    7.6491299  0.00    0.0002378    0.0001565   -0.0023798
 H    5.5829861   17.3417709    6.8657428  0.00    0.0016735   -0.0010195   -0.0003718
 C    3.2081470   18.3034550    7.9719737  0.00    0.0007027    0.0004304    0.0023369
 H    4.0788958   18.9099010    8.2303563  0.00    0.0003034    0.0009684    0.0029270
 H    3.0428421   17.6108856    8.8004596  0.00    0.0016826   -0.0001642    0.0009533
 H    2.3485544   18.9767046    7.9171304  0.00    0.0001881    0.0009485    0.0013927
 C    2.1840165   18.7061440    1.8280241  0.00    0.0026001    0.0030614    0.0007588
 H    1.4410889   17.9190441    1.9992799  0.00   -0.0020584   -0.0010359   -0.0004958
 C    1.4625300   19.9327644    1.2783572  0.00    0.0012300   -0.0009506   -0.0000227
 H    0.7622685   20.3589600    2.0016056  0.00   -0.0001781    0.0015563   -0.0001262
 H    0.9029827   19.6711600    0.3786208  0.00   -0.0002202   -0.0003301   -0.0026448
 H    2.1643668   20.7223584    1.0032612  0.00    0.0006203    0.0007333   -0.0011314
 C    3.1735451   18.1701849    0.7921442  0.00    0.0010209   -0.0004705    0.0026963
 H    3.9461412   18.9131515    0.5786955  0.00    0.0022602   -0.0012413   -0.0012645
 H    2.6580157   17.9448099   -0.1443963  0.00    0.0002552   -0.0009932    0.0015312
 H    3.6632318   17.2589292    1.1374564  0.00   -0.0010500    0.0004092    0.0010992
 C   -0.1879451   16.9669808    7.1167746  0.00    0.0008478    0.0001538    0.0000429
 H    0.6667113   17.5060972    7.5608336  0.00    0.0010377   -0.0020698    0.0000783
 H   -1.0895763   17.4353896    7.5475894  0.00   -0.0006014   -0.0033011    0.0005930
 C    1.4381658   14.3300079    7.2555434  0.00    0.0001720    0.0018121    0.0000862
 H    1.5490342   14.2942929    6.1686037  0.00   -0.0022398    0.0007082    0.0015774
 H    1.4172751   13.2978755    7.6178346  0.00   -0.0002616   -0.0007966    0.0008763
 H    2.3368417   14.7950086    7.6681885  0.00   -0.0007743    0.0001127    0.0004494
 C   -0.1295998   15.2772409    9.6874466  0.00   -0.0001371    0.0014094    0.0006675
 H    0.7318891   15.8305562   10.0707923  0.00    0.0002868    0.0012612    0.0007559
 H   -0.0936797   14.2714750   10.1161122  0.00   -0.0001296    0.0015751   -0.0043457
 H   -1.0313694   15.7657240   10.0662249  0.00   -0.0005105    0.0011827    0.0015056
 C   -1.6142215   14.2201949    7.2483858  0.00   -0.0001221    0.0014002    0.0005614
 H   -2.5447330   14.6202517    7.6586335  0.00    0.0000037   -0.0005880    0.0002775
 H   -1.5222368   13.1913053    7.6088381  0.00    0.0010482    0.0000212    0.0009641
 H   -1.7186218   14.1792650    6.1609603  0.00    0.0021330    0.0008378    0.0014230
129
 Energy =   -2867.2893654950
 O   -0.1327235   15.5634415    3.8323902  0.00   -0.0009324    0.0030748    0.0010868
Th   -0.2006449   17.7706072    4.8680321  0.00   -0.0015219   -0.0005331   -0.0003191
Si   -0.1230264   15.2109742    7.8121163  0.00   -0.0005325   -0.0024267    0.0017226
 N   -2.1747037   16.9613339    4.2005200  0.00    0.0007959   -0.0010556   -0.0001041
 N    1.8211058   17.0693608    4.2274237  0.00   -0.0008316    0.0004428    0.0012680
 C   -2.5905411   13.1486194    2.6002214  0.00   -0.0011181    0.0005397   -0.0002026
 H   -2.6520360   12.1507247    2.1904077  0.00   -0.0003091   -0.0010498   -0.0006422
 C   -3.7578967   13.8754823    2.7914199  0.00   -0.0005169    0.0010506    0.0009454
 C   -3.6658754   15.1676533    3.3233228  0.00    0.0004467    0.0012464   -0.0001564
 H   -4.5547210   15.7693910    3.4699101  0.00   -0.0007981   -0.0012828   -0.0007754
 C   -2.4362673   15.7054636    3.6617877  0.00    0.0025571   -0.0004018    0.0011379
 C    2.1589806   15.8388427    3.6752670  0.00    0.0047546   -0.0018899   -0.0013957
 C    3.4189449   15.3801300    3.3326840  0.00   -0.0056017   -0.0020284    0.0003867
 H    4.2697861   16.0324060    3.4865537  0.00    0.0044140    0.0014620    0.0000845
 C    3.5890571   14.0975911    2.7961897  0.00    0.0007256    0.0019877    0.0002665
 C    2.4678307   13.3021012    2.6016426  0.00   -0.0021414    0.0023650    0.0010732
 H    2.5898402   12.3109659    2.1889926  0.00    0.0008104   -0.0012562   -0.0006342
 C   -0.0503063   12.8486137    2.7050427  0.00    0.0001713   -0.0019928    0.0002531
 C   -1.3244229   13.6546447    2.9186605  0.00    0.0032290   -0.0027193   -0.0006693
 C   -1.3051957   14.9171507    3.4515891  0.00    0.0010199    0.0020640    0.0006644
 C    1.0770049   14.9869485    3.4562623  0.00   -0.0053835   -0.0011212    0.0000135
 C    1.1726592   13.7296593    2.9197572  0.00    0.0016085   -0.0027211   -0.0010935
 C   -0.0151454   11.6912722    3.7163933  0.00    0.0001866   -0.0003157   -0.0007757
 H   -0.0264082   12.0665601    4.7416697  0.00   -0.0000576   -0.0052714   -0.0011503
 H    0.8885026   11.0932352    3.5809011  0.00   -0.0024346   -0.0000081    0.0006997
 H   -0.8807002   11.0393313    3.5810806  0.00    0.0019138   -0.0001707    0.0007594
 C   -0.0329060   12.2854626    1.2783800  0.00    0.0003762   -0.0013009   -0.0002350
 H   -0.8911400   11.6352262    1.1062852  0.00    0.0007703   -0.0001271   -0.0003792
 H    0.8632497   11.6883708    1.1069006  0.00   -0.0012727    0.0000554   -0.0003335
 H   -0.0570179   13.0889778    0.5399881  0.00    0.0000275   -0.0040261   -0.0014761
 C   -5.1331676   13.3148327    2.4332347  0.00   -0.0033590    0.0003016   -0.0001230
 C   -6.0197184   13.3016165    3.6838974  0.00   -0.0013473   -0.0001203    0.0016157
 H   -5.5814003   12.6842536    4.4715118  0.00    0.0014626   -0.0015112   -0.0001896
 H   -7.0045677   12.8946833    3.4418423  0.00    0.0005273   -0.0016785   -0.0012793
 H   -6.1699724   14.3057846    4.0856603  0.00   -0.0017453   -0.0003433    0.0011455
 C   -5.7805261   14.2059968    1.3664961  0.00   -0.0009804    0.0012463   -0.0013844
 H   -5.9085186   15.2322097    1.7176376  0.00   -0.0011456    0.0008067   -0.0014278
 H   -6.7694303   13.8211140    1.1054461  0.00    0.0001380   -0.0012447   -0.0007730
 H   -5.1766514   14.2324549    0.4562323  0.00    0.0019031   -0.0011096   -0.0006391
 C   -5.0561172   11.8916464    1.8868193  0.00   -0.0009826    0.0005093    0.0000970
 H   -4.4682654   11.8375365    0.9672138  0.00    0.0002000    0.0015259   -0.0006873
 H   -6.0620600   11.5382817    1.6513307  0.00   -0.0009142    0.0022331    0.0007643
 H   -4.6280808   11.1974286    2.6142361  0.00   -0.0002608    0.0006576    0.0012862
 C    4.9969107   13.6189215    2.4452506  0.00    0.0017504   -0.0000318   -0.0002988
 C    5.6104491   14.5624370    1.4041375  0.00    0.0005760    0.0007860   -0.0010689
 H    6.6199364   14.2321996    1.1473307  0.00    0.0002717   -0.0013726   -0.0009120
 H    5.6849420   15.5861303    1.7771969  0.00    0.0013278    0.0016443   -0.0014163
 H    5.0160143   14.5776863    0.4874256  0.00   -0.0018897   -0.0011019   -0.0007217
 C    5.8657257   13.6297614    3.7085828  0.00    0.0007252   -0.0001619    0.0010247
 H    5.4526959   12.9716713    4.4766087  0.00   -0.0016148   -0.0014923   -0.0002650
 H    5.9513409   14.6321536    4.1331912  0.00    0.0017253    0.0003514    0.0014870
 H    6.8756530   13.2850792    3.4732068  0.00   -0.0000158   -0.0016925   -0.0013277
 C    5.0032555   12.2042211    1.8719967  0.00    0.0008425    0.0008230    0.0003156
 H    4.6089070   11.4736380    2.5825987  0.00    0.0005180    0.0005802    0.0010925
 H    6.0290195   11.9112996    1.6391289  0.00    0.0009522    0.0025030    0.0009036
 H    4.4260531   12.1354594    0.9465911  0.00   -0.0000108    0.0012726   -0.0003851
 C   -3.1689534   17.9800596    4.2643524  0.00   -0.0008985    0.0006783    0.0028945
 C   -3.9435095   18.1589511    5.4348087  0.00    0.0002882    0.0027555   -0.0027924
 C   -4.8773626   19.1901600    5.4630777  0.00    0.0012742   -0.0009547    0.0026449
 H   -5.4820620   19.3321160    6.3510835  0.00    0.0011448   -0.0006846   -0.0004572
 C   -5.0604304   20.0266611    4.3797326  0.00   -0.0039531    0.0011109   -0.0029167
 H   -5.8002399   20.8177137    4.4216881  0.00    0.0026784    0.0000016    0.0009094
 C   -4.3001803   19.8499339    3.2383587  0.00   -0.0007852    0.0027664    0.0008852
 H   -4.4575795   20.5086905    2.3933992  0.00    0.0013192   -0.0000024    0.0002412
 C   -3.3493563   18.8395235    3.1507043  0.00    0.0012079    0.0013656   -0.0001936
 C   -2.5945217   18.6609225    1.8488104  0.00   -0.0018086    0.0007015    0.0017765
 H   -1.6947476   18.0660795    2.0548004  0.00    0.0022475    0.0002556   -0.0001236
 C   -3.4268002   17.8713967    0.8356524  0.00   -0.0000116    0.0001212    0.0016300
 H   -3.6994330   16.8853563    1.2121853  0.00    0.0018252    0.0015660    0.0016816
 H   -2.8681668   17.7391441   -0.0940720  0.00   -0.0001729   -0.0008286    0.0019652
 H   -4.3461004   18.4140317    0.6000188  0.00   -0.0015580   -0.0019336   -0.0003242
 C   -2.1595155   19.9878074    1.2338184  0.00   -0.0020048   -0.0010513   -0.0013720
 H   -3.0149627   20.5578655    0.8667435  0.00   -0.0001362    0.0013533   -0.0012793
 H   -1.5080559   19.8085516    0.3772096  0.00   -0.0012567    0.0009784   -0.0003919
 H   -1.6234951   20.6208621    1.9449865  0.00   -0.0006735    0.0019850   -0.0014377
 C   -3.8374584   17.2472843    6.6369269  0.00    0.0014522   -0.0017728   -0.0026856
 H   -2.9576674   16.6158190    6.4984067  0.00   -0.0017487   -0.0007014    0.0002772
 C   -5.0513455   16.3227411    6.7358329  0.00   -0.0016498    0.0002049   -0.0015683
 H   -5.9735043   16.8996777    6.8414108  0.00   -0.0030792   -0.0008831   -0.0008535
 H   -4.9629075   15.6744460    7.6110163  0.00   -0.0007974   -0.0010537   -0.0021363
 H   -5.1459525   15.6852366    5.8561202  0.00    0.0000233    0.0013487   -0.0007069
 C   -3.6735846   18.0276490    7.9401328  0.00   -0.0009358   -0.0003952    0.0008489
 H   -2.8655582   18.7620884    7.8875364  0.00   -0.0009478    0.0003129    0.0013418
 H   -3.4578224   17.3449631    8.7653003  0.00   -0.0007927   -0.0002871    0.0003161
 H   -4.5858612   18.5682886    8.2013394  0.00   -0.0000111    0.0011052    0.0026698
 C    2.7367349   18.1586735    4.2789863  0.00   -0.0016600   -0.0026571    0.0016427
 C    2.8777194   18.9934573    3.1429670  0.00    0.0004185    0.0040556   -0.0015967
 C    3.7286739   20.0898444    3.2233859  0.00    0.0015927    0.0026393    0.0031248
 H    3.8539865   20.7315774    2.3593227  0.00   -0.0017388   -0.0002517   -0.0016264
 C    4.4300431   20.3719490    4.3812477  0.00    0.0009322   -0.0039402   -0.0015187
 H    5.0906979   21.2302929    4.4208117  0.00   -0.0022919    0.0003408   -0.0000163
 C    4.2953165   19.5498875    5.4837806  0.00   -0.0026762    0.0006693   -0.0030918
 H    4.8610394   19.7703834    6.3812665  0.00   -0.0009177   -0.0010425    0.0001685
 C    3.4638384   18.4341609    5.4610173  0.00    0.0030493    0.0058744    0.0009264
 C    3.4258380   17.5304580    6.6731426  0.00   -0.0004560   -0.0010548   -0.0028380
 H    2.5954029   16.8341985    6.5415576  0.00    0.0005709   -0.0018272    0.0004038
 C    4.7052515   16.6977440    6.7697949  0.00    0.0011110    0.0009380   -0.0011559
 H    4.8406477   16.0641675    5.8923012  0.00    0.0002833    0.0015880    0.0000735
 H    4.6699136   16.0494964    7.6487645  0.00    0.0006928   -0.0004767   -0.0021905
 H    5.5831666   17.3416753    6.8655143  0.00    0.0020986   -0.0005357   -0.0004500
 C    3.2081714   18.3032635    7.9722779  0.00    0.0013085   -0.0001668    0.0002662
 H    4.0788414   18.9097654    8.2307978  0.00    0.0000833    0.0012901    0.0026851
 H    3.0431753   17.6104353    8.8006239  0.00    0.0011839   -0.0001440    0.0007158
 H    2.3483524   18.9762769    7.9174497  0.00    0.0008148    0.0008179    0.0018233
 C    2.1840463   18.7062782    1.8279201  0.00    0.0026929    0.0010179    0.0026131
 H    1.4410324   17.9192415    1.9994210  0.00   -0.0018011   -0.0006753   -0.0008163
 C    1.4625625   19.9327951    1.2781034  0.00    0.0013015   -0.0010811   -0.0014210
 H    0.7624382   20.3591466    2.0014434  0.00    0.0002006    0.0014640   -0.0008751
 H    0.9029381   19.6708886    0.3783682  0.00    0.0003630    0.0003788   -0.0009287
 H    2.1644714   20.7222425    1.0026899  0.00    0.0002304    0.0005657   -0.0010611
 C    3.1735973   18.1698334    0.7923261  0.00    0.0000825    0.0001581    0.0010735
 H    3.9463871   18.9125514    0.5785824  0.00    0.0019514   -0.0014936   -0.0008101
 H    2.6578736   17.9444317   -0.1441119  0.00    0.0007766   -0.0010930    0.0011512
 H    3.6629853   17.2584280    1.1376714  0.00   -0.0010637    0.0005638    0.0017393
 C   -0.1879428   16.9669598    7.1169661  0.00   -0.0000182   -0.0012614    0.0000474
 H    0.6666988   17.5058863    7.5612002  0.00    0.0014325   -0.0014885    0.0003087
 H   -1.0896748   17.4350351    7.5479257  0.00   -0.0002566   -0.0029743    0.0003935
 C    1.4382897   14.3299145    7.2557845  0.00   -0.0011738    0.0006738    0.0006956
 H    1.5490471   14.2941528    6.1688384  0.00   -0.0016589    0.0005933    0.0013263
 H    1.4171821   13.2977516    7.6181874  0.00    0.0001021    0.0003808    0.0004021
 H    2.3368724   14.7949993    7.6685357  0.00   -0.0006086   -0.0000126    0.0002429
 C   -0.1296216   15.2775260    9.6873730  0.00   -0.0003346    0.0019187    0.0011242
 H    0.7318207   15.8308288   10.0708092  0.00    0.0007087    0.0013676    0.0005696
 H   -0.0937073   14.2718549   10.1160859  0.00   -0.0000566    0.0004260   -0.0037355
 H   -1.0313265   15.7660118   10.0663092  0.00   -0.0006753    0.0011551    0.0010698
 C   -1.6143200   14.2200793    7.2486245  0.00    0.0005967    0.0010276    0.0003208
 H   -2.5448075   14.6201857    7.6589610  0.00    0.0006410   -0.0010143   -0.0001635
 H   -1.5220711   13.1911863    7.6091638  0.00    0.0005971    0.0009419    0.0005340
 H   -1.7185832   14.1791538    6.1611537  0.00    0.0016685    0.0005908    0.0021181
129
 Energy =   -2867.2893724220
 O   -0.1326957   15.5637385    3.8323878  0.00   -0.0018906    0.0016731    0.0002466
Th   -0.2006384   17.7702523    4.8683896  0.00   -0.0022548    0.0007718   -0.0014853
Si   -0.1230587   15.2110430    7.8122755  0.00   -0.0007774   -0.0008355    0.0026837
 N   -2.1749985   16.9614548    4.2003299  0.00    0.0004027    0.0006988   -0.0005523
 N    1.8214263   17.0695332    4.2274931  0.00   -0.0010658   -0.0008362    0.0008686
 C   -2.5905127   13.1488293    2.5999948  0.00   -0.0005319    0.0009139    0.0002821
 H   -2.6521887   12.1510605    2.1899573  0.00    0.0004131   -0.0015552   -0.0005816
 C   -3.7579500   13.8754851    2.7912449  0.00   -0.0000486    0.0031532    0.0013811
 C   -3.6663287   15.1678039    3.3232166  0.00    0.0032054   -0.0022998   -0.0012065
 H   -4.5554464   15.7691503    3.4695755  0.00   -0.0000448   -0.0006342   -0.0004407
 C   -2.4366138   15.7055833    3.6616752  0.00    0.0031023    0.0005442    0.0011287
 C    2.1593563   15.8390165    3.6752471  0.00    0.0014076   -0.0011385   -0.0011947
 C    3.4193246   15.3802248    3.3325463  0.00   -0.0041950   -0.0011599    0.0011983
 H    4.2706758   16.0320935    3.4862990  0.00    0.0017866    0.0010259    0.0001289
 C    3.5890367   14.0977329    2.7961032  0.00   -0.0002000   -0.0006236   -0.0012320
 C    2.4676817   13.3023553    2.6015347  0.00    0.0005242    0.0021567    0.0007707
 H    2.5900396   12.3113691    2.1887045  0.00   -0.0001011   -0.0017254   -0.0005383
 C   -0.0503069   12.8486531    2.7051451  0.00    0.0001302   -0.0006370    0.0003002
 C   -1.3243458   13.6547999    2.9186583  0.00    0.0013818   -0.0024237   -0.0007552
 C   -1.3053258   14.9173597    3.4514887  0.00    0.0008327    0.0019544    0.0009724
 C    1.0771514   14.9872058    3.4562163  0.00   -0.0046936   -0.0020267   -0.0003958
 C    1.1726063   13.7297884    2.9197444  0.00    0.0011335   -0.0005648   -0.0000104
 C   -0.0151442   11.6913149    3.7165336  0.00    0.0000101    0.0009244   -0.0014710
 H   -0.0263920   12.0665002    4.7418735  0.00   -0.0000466   -0.0054170   -0.0016776
 H    0.8885682   11.0934876    3.5807678  0.00   -0.0024242   -0.0007707    0.0011147
 H   -0.8807676   11.0395278    3.5809907  0.00    0.0021242   -0.0007026    0.0011220
 C   -0.0329053   12.2854817    1.2784671  0.00    0.0002286   -0.0002373    0.0003628
 H   -0.8911735   11.6353455    1.1063365  0.00    0.0006623   -0.0006506   -0.0004087
 H    0.8632943   11.6885193    1.1070278  0.00   -0.0009895   -0.0005423   -0.0005591
 H   -0.0570291   13.0890662    0.5401595  0.00    0.0000856   -0.0040179   -0.0016100
 C   -5.1330146   13.3144795    2.4328811  0.00   -0.0030031    0.0005887    0.0000253
 C   -6.0194726   13.3010350    3.6833841  0.00   -0.0022376   -0.0006270    0.0026949
 H   -5.5809832   12.6837383    4.4708612  0.00    0.0018939   -0.0018264    0.0009617
 H   -7.0040628   12.8937521    3.4413783  0.00   -0.0011965   -0.0026511   -0.0018983
 H   -6.1703986   14.3049981    4.0852538  0.00   -0.0011311    0.0006273    0.0013998
 C   -5.7803183   14.2053582    1.3661086  0.00   -0.0009850    0.0019665   -0.0026507
 H   -5.9087239   15.2315300    1.7170037  0.00   -0.0006084    0.0019890   -0.0011259
 H   -6.7690429   13.8205101    1.1046621  0.00   -0.0008888   -0.0024900   -0.0007954
 H   -5.1761058   14.2316235    0.4561222  0.00    0.0020836   -0.0003196   -0.0015689
 C   -5.0555875   11.8913782    1.8864182  0.00   -0.0011976    0.0002783   -0.0000813
 H   -4.4677468   11.8375635    0.9668166  0.00    0.0008366    0.0011827   -0.0007709
 H   -6.0613083   11.5375588    1.6507709  0.00   -0.0016582    0.0027673    0.0008141
 H   -4.6275708   11.1972755    2.6138728  0.00    0.0006718    0.0000031    0.0015747
 C    4.9966781   13.6185894    2.4449596  0.00    0.0023968   -0.0000338   -0.0005618
 C    5.6102438   14.5617201    1.4037422  0.00    0.0008189    0.0018135   -0.0023819
 H    6.6195872   14.2315205    1.1465018  0.00    0.0007166   -0.0025882   -0.0007159
 H    5.6852160   15.5854441    1.7764964  0.00    0.0006304    0.0025657   -0.0011708
 H    5.0154430   14.5767289    0.4873198  0.00   -0.0020235   -0.0002531   -0.0016793
 C    5.8655045   13.6291790    3.7080683  0.00    0.0017444   -0.0004478    0.0021057
 H    5.4522328   12.9711651    4.4759356  0.00   -0.0018242   -0.0018000    0.0010361
 H    5.9518590   14.6314356    4.1327778  0.00    0.0010542    0.0009472    0.0017174
 H    6.8751985   13.2840747    3.4726785  0.00    0.0011844   -0.0023932   -0.0017772
 C    5.0027122   12.2038952    1.8716928  0.00    0.0006307    0.0007466    0.0002380
 H    4.6084321   11.4734261    2.5823540  0.00   -0.0004453   -0.0001228    0.0014721
 H    6.0282663   11.9104659    1.6386195  0.00    0.0016010    0.0034207    0.0010735
 H    4.4254723   12.1353416    0.9463319  0.00   -0.0006523    0.0009511   -0.0005553
 C   -3.1691614   17.9804829    4.2642016  0.00    0.0020303   -0.0014518    0.0045779
 C   -3.9432626   18.1593672    5.4349405  0.00    0.0000306    0.0047960   -0.0033189
 C   -4.8765462   19.1911004    5.4636248  0.00    0.0027542   -0.0013499    0.0004458
 H   -5.4807110   19.3328006    6.3519570  0.00   -0.0003825    0.0006265   -0.0002198
 C   -5.0591742   20.0281067    4.3804923  0.00   -0.0033444   -0.0008393   -0.0017335
 H   -5.7989070   20.8190520    4.4227384  0.00    0.0018470    0.0023375    0.0009137
 C   -4.2990101   19.8515226    3.2389619  0.00   -0.0013317    0.0032709    0.0015963
 H   -4.4555561   20.5108412    2.3942091  0.00    0.0005676   -0.0003019    0.0014989
 C   -3.3488896   18.8405523    3.1509607  0.00    0.0032492    0.0012781   -0.0011020
 C   -2.5939209   18.6619873    1.8490276  0.00   -0.0013791    0.0001612    0.0034459
 H   -1.6935963   18.0681078    2.0553124  0.00    0.0024998   -0.0001033    0.0003553
 C   -3.4256006   17.8706686    0.8368672  0.00    0.0011168   -0.0011236    0.0013020
 H   -3.6973601   16.8846471    1.2143300  0.00    0.0023500    0.0034442    0.0013809
 H   -2.8666651   17.7379928   -0.0925878  0.00   -0.0006369   -0.0010309    0.0010936
 H   -4.3452714   18.4123176    0.6007309  0.00   -0.0025831   -0.0017148   -0.0009093
 C   -2.1596453   19.9886630    1.2328329  0.00   -0.0025115   -0.0022349   -0.0014508
 H   -3.0154248   20.5576347    0.8648014  0.00    0.0000721    0.0017626   -0.0008627
 H   -1.5078640   19.8088988    0.3763980  0.00   -0.0022545    0.0013678    0.0018842
 H   -1.6242377   20.6226659    1.9437623  0.00   -0.0014681    0.0013850   -0.0031728
 C   -3.8375278   17.2473064    6.6367462  0.00    0.0018984   -0.0028692   -0.0024334
 H   -2.9578646   16.6158710    6.4977092  0.00   -0.0010980   -0.0016081    0.0007749
 C   -5.0514651   16.3227364    6.7345455  0.00   -0.0020718    0.0004318   -0.0006717
 H   -5.9737097   16.8995259    6.8401624  0.00   -0.0030795   -0.0005444   -0.0011009
 H   -4.9633997   15.6741020    7.6094547  0.00   -0.0007362   -0.0020055   -0.0017493
 H   -5.1457565   15.6856770    5.8544717  0.00    0.0002851    0.0016603   -0.0004071
 C   -3.6733376   18.0265076    7.9407926  0.00   -0.0019625   -0.0009692   -0.0004653
 H   -2.8653680   18.7610725    7.8882126  0.00   -0.0018818   -0.0000327    0.0023217
 H   -3.4573332   17.3432008    8.7655458  0.00   -0.0004455    0.0003912   -0.0021054
 H   -4.5856800   18.5666549    8.2029306  0.00    0.0005129    0.0016916    0.0020425
 C    2.7367740   18.1590428    4.2789554  0.00   -0.0024876   -0.0021938    0.0014378
 C    2.8772429   18.9940586    3.1429178  0.00   -0.0002082    0.0034180    0.0003986
 C    3.7277283   20.0907893    3.2234435  0.00    0.0003469    0.0026972    0.0020391
 H    3.8522065   20.7328049    2.3593658  0.00   -0.0007941   -0.0008591    0.0001163
 C    4.4287820   20.3729924    4.3814687  0.00    0.0022519   -0.0020212   -0.0021007
 H    5.0893148   21.2313897    4.4211818  0.00   -0.0025126    0.0010902   -0.0000787
 C    4.2942786   19.5509443    5.4839640  0.00   -0.0017000    0.0005066    0.0001181
 H    4.8594284   19.7713985    6.3818848  0.00   -0.0005231    0.0001301   -0.0013202
 C    3.4634465   18.4348798    5.4612365  0.00    0.0010414    0.0053437   -0.0009241
 C    3.4257764   17.5308810    6.6731415  0.00   -0.0016761   -0.0022541   -0.0025466
 H    2.5953855   16.8345825    6.5411177  0.00    0.0007993   -0.0018756    0.0008446
 C    4.7052590   16.6981552    6.7685941  0.00    0.0013429    0.0013355   -0.0003327
 H    4.8403976   16.0650691    5.8906481  0.00   -0.0003055    0.0021084    0.0007158
 H    4.6703264   16.0495469    7.6472739  0.00    0.0009927   -0.0012787   -0.0019880
 H    5.5831321   17.3421202    6.8642834  0.00    0.0025041   -0.0003967   -0.0003784
 C    3.2079009   18.3025967    7.9730617  0.00    0.0026488   -0.0007181   -0.0006126
 H    4.0783922   18.9091924    8.2321558  0.00   -0.0006422    0.0017761    0.0018180
 H    3.0435135   17.6091184    8.8011415  0.00    0.0007404    0.0003508   -0.0015584
 H    2.3476291   18.9751705    7.9186528  0.00    0.0020263    0.0003695    0.0024289
 C    2.1834515   18.7066294    1.8279893  0.00    0.0019109   -0.0000770    0.0036814
 H    1.4398471   17.9200953    1.9999647  0.00   -0.0005352    0.0000670   -0.0009656
 C    1.4624210   19.9330154    1.2771244  0.00    0.0011728   -0.0015258   -0.0017629
 H    0.7629449   20.3605739    2.0005556  0.00    0.0012955    0.0008247   -0.0027241
 H    0.9022066   19.6702503    0.3778247  0.00    0.0013375    0.0011276    0.0014142
 H    2.1647027   20.7216782    1.0003154  0.00   -0.0001870    0.0004645   -0.0008674
 C    3.1730005   18.1687086    0.7932129  0.00   -0.0004480   -0.0022974    0.0005784
 H    3.9465464   18.9104950    0.5791540  0.00    0.0021634   -0.0009922   -0.0007386
 H    2.6572310   17.9430976   -0.1431112  0.00    0.0009709   -0.0011053    0.0000830
 H    3.6614168   17.2568656    1.1391763  0.00   -0.0020193    0.0025547    0.0016677
 C   -0.1880563   16.9670959    7.1172716  0.00    0.0003991   -0.0022061   -0.0000036
 H    0.6665577   17.5058019    7.5619282  0.00    0.0006505   -0.0016400   -0.0001114
 H   -1.0899604   17.4345730    7.5484566  0.00   -0.0000335   -0.0026074    0.0002343
 C    1.4384492   14.3297252    7.2568120  0.00   -0.0022114    0.0012766    0.0004382
 H    1.5494443   14.2935588    6.1698713  0.00   -0.0011212    0.0004732    0.0018369
 H    1.4166273   13.2977368    7.6196674  0.00    0.0008592    0.0002928    0.0002113
 H    2.3368925   14.7948859    7.6699124  0.00   -0.0012670   -0.0005947   -0.0003952
 C   -0.1297174   15.2787787    9.6873540  0.00   -0.0002117    0.0018837    0.0024256
 H    0.7316919   15.8321306   10.0707459  0.00    0.0012735    0.0014711    0.0001966
 H   -0.0938130   14.2733256   10.1163587  0.00    0.0000403   -0.0010064   -0.0026477
 H   -1.0312858   15.7673682   10.0664154  0.00   -0.0012758    0.0012791    0.0004874
 C   -1.6144644   14.2198225    7.2495466  0.00    0.0019430    0.0014801    0.0003154
 H   -2.5448834   14.6198418    7.6602036  0.00    0.0013055   -0.0014618   -0.0007636
 H   -1.5213992   13.1911160    7.6104636  0.00   -0.0001828    0.0010783    0.0001623
 H   -1.7187952   14.1785987    6.1620902  0.00    0.0009966    0.0002764    0.0023951
129
 Energy =   -2867.2893791050
 O   -0.1327277   15.5642229    3.8324217  0.00   -0.0015089   -0.0007912   -0.0009019
Th   -0.2007072   17.7698578    4.8688803  0.00   -0.0014792    0.0031444   -0.0029818
Si   -0.1231242   15.2111586    7.8126227  0.00   -0.0005258    0.0016546    0.0030644
 N   -2.1753525   16.9617251    4.2000798  0.00    0.0005208    0.0007852   -0.0005202
 N    1.8217773   17.0697314    4.2276073  0.00   -0.0016742   -0.0018473    0.0002309
 C   -2.5904011   13.1491553    2.5997100  0.00    0.0009787   -0.0009920    0.0002596
 H   -2.6520966   12.1514312    2.1893644  0.00    0.0009167   -0.0003917    0.0002217
 C   -3.7579534   13.8755212    2.7910230  0.00   -0.0006883    0.0026646    0.0002935
 C   -3.6667400   15.1678615    3.3230050  0.00    0.0050379   -0.0021622   -0.0003926
 H   -4.5562628   15.7688257    3.4691572  0.00    0.0020910   -0.0006841   -0.0002499
 C   -2.4369143   15.7057797    3.6615689  0.00    0.0010201    0.0009267    0.0000784
 C    2.1597356   15.8392071    3.6752025  0.00   -0.0011329    0.0001754   -0.0008381
 C    3.4197034   15.3803078    3.3323992  0.00   -0.0021196   -0.0005948    0.0014071
 H    4.2716926   16.0317400    3.4859738  0.00   -0.0022211   -0.0001224    0.0001194
 C    3.5890045   14.0977942    2.7959026  0.00   -0.0010120   -0.0014741   -0.0018176
 C    2.4674541   13.3026758    2.6013712  0.00    0.0027916    0.0013639    0.0004639
 H    2.5899928   12.3118183    2.1883209  0.00   -0.0009263   -0.0021128   -0.0003704
 C   -0.0502895   12.8488015    2.7052523  0.00   -0.0003274    0.0015148    0.0002219
 C   -1.3242040   13.6550396    2.9186490  0.00   -0.0016069   -0.0012137   -0.0009980
 C   -1.3054422   14.9177021    3.4513814  0.00    0.0013232    0.0012108    0.0015365
 C    1.0772092   14.9875395    3.4561588  0.00   -0.0031471   -0.0013813    0.0002001
 C    1.1724965   13.7300296    2.9197572  0.00    0.0009665    0.0009160    0.0003535
 C   -0.0151429   11.6915483    3.7166160  0.00   -0.0000312    0.0006668   -0.0020474
 H   -0.0263597   12.0663188    4.7420501  0.00   -0.0000656   -0.0043773   -0.0011829
 H    0.8885515   11.0938824    3.5806285  0.00   -0.0015849   -0.0018574    0.0011969
 H   -0.8807418   11.0398616    3.5809139  0.00    0.0015290   -0.0015629    0.0010943
 C   -0.0328992   12.2856168    1.2786116  0.00    0.0001421   -0.0004050    0.0005478
 H   -0.8911637   11.6355465    1.1064519  0.00    0.0003978   -0.0012766   -0.0003338
 H    0.8633075   11.6887536    1.1072179  0.00   -0.0004517   -0.0013107   -0.0007295
 H   -0.0570293   13.0890578    0.5402306  0.00    0.0001116   -0.0030121   -0.0019123
 C   -5.1328100   13.3139311    2.4323673  0.00   -0.0012741    0.0009272    0.0001983
 C   -6.0192017   13.3001611    3.6827591  0.00   -0.0025527   -0.0008729    0.0027127
 H   -5.5803973   12.6829531    4.4701004  0.00    0.0017330   -0.0015960    0.0016300
 H   -7.0034770   12.8924292    3.4406312  0.00   -0.0026803   -0.0033789   -0.0019129
 H   -6.1708079   14.3040211    4.0845830  0.00   -0.0006770    0.0008178    0.0017512
 C   -5.7800403   14.2045092    1.3654480  0.00   -0.0009255    0.0021304   -0.0027591
 H   -5.9088944   15.2306294    1.7162463  0.00   -0.0001308    0.0026051   -0.0014034
 H   -6.7685717   13.8195239    1.1036741  0.00   -0.0015161   -0.0031703   -0.0010006
 H   -5.1753794   14.2305601    0.4557735  0.00    0.0017352    0.0006108   -0.0020262
 C   -5.0548251   11.8908537    1.8858054  0.00   -0.0004362    0.0006131    0.0002826
 H   -4.4669579   11.8373857    0.9661597  0.00    0.0008810    0.0009363   -0.0000049
 H   -6.0603290   11.5366398    1.6500185  0.00   -0.0025340    0.0029511    0.0007228
 H   -4.6267717   11.1968105    2.6133219  0.00    0.0010589    0.0001924    0.0010841
 C    4.9963783   13.6180178    2.4444969  0.00    0.0025466    0.0002817   -0.0006327
 C    5.6099732   14.5607677    1.4030766  0.00    0.0007998    0.0023917   -0.0028555
 H    6.6191523   14.2304215    1.1454551  0.00    0.0008459   -0.0033008   -0.0006881
 H    5.6854679   15.5845270    1.7756379  0.00   -0.0000227    0.0026804   -0.0014887
 H    5.0146868   14.5754934    0.4869707  0.00   -0.0015441    0.0007680   -0.0020525
 C    5.8652746   13.6283047    3.7074305  0.00    0.0021522   -0.0006253    0.0025031
 H    5.4516281   12.9703850    4.4751665  0.00   -0.0014283   -0.0013978    0.0017094
 H    5.9524125   14.6305224    4.1321088  0.00    0.0004855    0.0006245    0.0018369
 H    6.8746842   13.2826518    3.4718654  0.00    0.0020589   -0.0028578   -0.0017109
 C    5.0019187   12.2032963    1.8712167  0.00   -0.0000699    0.0005996    0.0003631
 H    4.6076777   11.4728791    2.5819669  0.00   -0.0009771    0.0000323    0.0011933
 H    6.0272700   11.9094147    1.6379431  0.00    0.0022904    0.0039744    0.0011028
 H    4.4246012   12.1349701    0.9458613  0.00   -0.0008257    0.0007425   -0.0000129
 C   -3.1692366   17.9811066    4.2641441  0.00    0.0048706   -0.0018253    0.0026251
 C   -3.9428772   18.1601205    5.4350371  0.00    0.0005718    0.0038288   -0.0007907
 C   -4.8753342   19.1924466    5.4643751  0.00    0.0020023   -0.0000600   -0.0010655
 H   -5.4789778   19.3339441    6.3530761  0.00   -0.0012099    0.0014929   -0.0005322
 C   -5.0575272   20.0301076    4.3815619  0.00   -0.0024902   -0.0018677   -0.0006121
 H   -5.7968213   20.8212990    4.4243217  0.00    0.0009926    0.0039711    0.0009251
 C   -4.2974208   19.8538576    3.2398918  0.00    0.0003625    0.0006754    0.0025595
 H   -4.4528816   20.5138997    2.3955213  0.00   -0.0004039    0.0000310    0.0018081
 C   -3.3481329   18.8420335    3.1513341  0.00    0.0029152    0.0024931    0.0004500
 C   -2.5931032   18.6633568    1.8495246  0.00    0.0008127   -0.0007159    0.0027553
 H   -1.6919537   18.0707499    2.0562425  0.00    0.0018721   -0.0000550    0.0007382
 C   -3.4237941   17.8696610    0.8384583  0.00    0.0010520   -0.0000867    0.0005802
 H   -3.6943276   16.8837993    1.2171071  0.00    0.0022261    0.0032436    0.0017247
 H   -2.8644536   17.7364699   -0.0906301  0.00   -0.0008445   -0.0011243    0.0000906
 H   -4.3441207   18.4098917    0.6015199  0.00   -0.0022412   -0.0019041   -0.0009749
 C   -2.1598648   19.9896438    1.2315746  0.00   -0.0036687   -0.0019731   -0.0004095
 H   -3.0159914   20.5573065    0.8622242  0.00    0.0001251    0.0016170   -0.0002754
 H   -1.5076238   19.8092906    0.3755582  0.00   -0.0025075    0.0011669    0.0028795
 H   -1.6252881   20.6250904    1.9419701  0.00   -0.0021053    0.0007837   -0.0044319
 C   -3.8374836   17.2472437    6.6363353  0.00    0.0008861   -0.0024582   -0.0015508
 H   -2.9579866   16.6158278    6.4966689  0.00   -0.0002680   -0.0026091    0.0011033
 C   -5.0515714   16.3227195    6.7328873  0.00   -0.0019526    0.0004765    0.0000565
 H   -5.9739295   16.8993372    6.8384689  0.00   -0.0028233   -0.0001227   -0.0012252
 H   -4.9639063   15.6735965    7.6074394  0.00   -0.0008207   -0.0026107   -0.0014960
 H   -5.1454083   15.6861904    5.8523909  0.00    0.0002914    0.0017189   -0.0003955
 C   -3.6729875   18.0248787    7.9414800  0.00   -0.0028004   -0.0007446   -0.0019135
 H   -2.8651534   18.7596772    7.8892537  0.00   -0.0025808   -0.0003528    0.0029484
 H   -3.4565686   17.3407009    8.7655099  0.00   -0.0001241    0.0005568   -0.0038910
 H   -4.5853371   18.5644505    8.2049614  0.00    0.0008293    0.0018494    0.0009536
 C    2.7366689   18.1596234    4.2789526  0.00   -0.0030443   -0.0013703    0.0014839
 C    2.8765606   18.9950047    3.1429954  0.00   -0.0020064    0.0016499    0.0019308
 C    3.7263439   20.0922668    3.2236329  0.00   -0.0014054    0.0015012    0.0008493
 H    3.8498377   20.7345802    2.3595740  0.00    0.0002751   -0.0010311    0.0013098
 C    4.4270992   20.3745118    4.3817687  0.00    0.0031759    0.0002115   -0.0015134
 H    5.0871261   21.2332005    4.4217577  0.00   -0.0018642    0.0022492   -0.0001991
 C    4.2928182   19.5525321    5.4842900  0.00   -0.0012478   -0.0003583    0.0019465
 H    4.8572918   19.7730065    6.3826089  0.00    0.0005100    0.0015361   -0.0017309
 C    3.4628414   18.4359982    5.4614718  0.00   -0.0018052    0.0031163   -0.0018734
 C    3.4255297   17.5313727    6.6729699  0.00   -0.0012864   -0.0019349   -0.0016110
 H    2.5952760   16.8350110    6.5404432  0.00    0.0007552   -0.0021053    0.0012124
 C    4.7051918   16.6987448    6.7670570  0.00    0.0011203    0.0012801    0.0002935
 H    4.8399266   16.0662386    5.8886129  0.00   -0.0006101    0.0023873    0.0010033
 H    4.6707597   16.0496059    7.6453302  0.00    0.0013185   -0.0017923   -0.0017342
 H    5.5830598   17.3426943    6.8626378  0.00    0.0027104   -0.0000429   -0.0001962
 C    3.2075320   18.3016074    7.9739428  0.00    0.0031092   -0.0006553   -0.0016542
 H    4.0776406   18.9084512    8.2338860  0.00   -0.0007731    0.0019785    0.0005393
 H    3.0438885   17.6071965    8.8014962  0.00    0.0003340    0.0004500   -0.0032674
 H    2.3466849   18.9736207    7.9203919  0.00    0.0031507   -0.0000789    0.0026890
 C    2.1826692   18.7070347    1.8282790  0.00    0.0008336   -0.0007129    0.0028200
 H    1.4382751   17.9212320    2.0008402  0.00    0.0008282    0.0007344   -0.0007996
 C    1.4622656   19.9331883    1.2758339  0.00    0.0022603   -0.0012131   -0.0007769
 H    0.7637061   20.3624901    1.9992397  0.00    0.0018913    0.0003615   -0.0040293
 H    0.9012387   19.6693485    0.3772996  0.00    0.0016714    0.0012409    0.0023329
 H    2.1649951   20.7208348    0.9971144  0.00   -0.0004664    0.0001431   -0.0006196
 C    3.1720175   18.1670541    0.7943516  0.00   -0.0008215   -0.0017405   -0.0000778
 H    3.9466955   18.9076009    0.5798385  0.00    0.0013084   -0.0012197   -0.0002897
 H    2.6561514   17.9413142   -0.1418479  0.00    0.0010471   -0.0011711   -0.0008271
 H    3.6590391   17.2547935    1.1411163  0.00   -0.0018725    0.0025761    0.0020551
 C   -0.1882077   16.9672810    7.1177856  0.00    0.0006664   -0.0030473   -0.0001357
 H    0.6663095   17.5057527    7.5630140  0.00   -0.0002773   -0.0018569   -0.0007575
 H   -1.0903517   17.4340251    7.5492570  0.00    0.0004055   -0.0022293   -0.0001288
 C    1.4385770   14.3295476    7.2581856  0.00   -0.0030061    0.0011194    0.0007741
 H    1.5501689   14.2926958    6.1713377  0.00   -0.0009051    0.0005501    0.0018065
 H    1.4159125   13.2977869    7.6216861  0.00    0.0016004    0.0003091   -0.0000718
 H    2.3368466   14.7946791    7.6717726  0.00   -0.0017192   -0.0008683   -0.0008639
 C   -0.1298397   15.2805047    9.6874649  0.00   -0.0000413    0.0008145    0.0035588
 H    0.7315830   15.8340208   10.0705416  0.00    0.0016545    0.0014402    0.0000650
 H   -0.0939571   14.2752840   10.1168932  0.00    0.0001009   -0.0016316   -0.0013783
 H   -1.0313080   15.7693316   10.0663865  0.00   -0.0017573    0.0013122    0.0002188
 C   -1.6145569   14.2195544    7.2507779  0.00    0.0031065    0.0012750    0.0008564
 H   -2.5448670   14.6193576    7.6618764  0.00    0.0013242   -0.0014612   -0.0010366
 H   -1.5205634   13.1911052    7.6122090  0.00   -0.0008876    0.0009053   -0.0001351
 H   -1.7192752   14.1777765    6.1634252  0.00    0.0005892    0.0001830    0.0017738
129
 Energy =   -2867.2893901880
 O   -0.1328039   15.5646453    3.8323104  0.00   -0.0002915   -0.0033145   -0.0016540
Th   -0.2008207   17.7694640    4.8690579  0.00    0.0001622    0.0060650   -0.0028484
Si   -0.1232979   15.2119310    7.8135142  0.00    0.0006968    0.0040184    0.0033312
 N   -2.1755864   16.9619549    4.1995131  0.00    0.0039584   -0.0031701   -0.0010248
 N    1.8219193   17.0695340    4.2276644  0.00   -0.0013922    0.0003115   -0.0000277
 C   -2.5901110   13.1492596    2.5989955  0.00    0.0011198    0.0001234    0.0016032
 H   -2.6516435   12.1517824    2.1882058  0.00    0.0013659   -0.0014364    0.0003957
 C   -3.7578723   13.8752428    2.7903496  0.00   -0.0005728    0.0011585   -0.0008592
 C   -3.6670150   15.1675542    3.3224630  0.00    0.0055525   -0.0023128    0.0003307
 H   -4.5570578   15.7679002    3.4683138  0.00    0.0036989    0.0003680    0.0002527
 C   -2.4371687   15.7057778    3.6612011  0.00   -0.0011666    0.0040779   -0.0002741
 C    2.1601602   15.8391406    3.6749205  0.00   -0.0064218    0.0025868    0.0009003
 C    3.4200401   15.3799902    3.3320253  0.00    0.0017145    0.0003294    0.0006540
 H    4.2727897   16.0308251    3.4852715  0.00   -0.0062809   -0.0007055    0.0004763
 C    3.5889858   14.0974997    2.7952408  0.00   -0.0021306   -0.0023047   -0.0014416
 C    2.4671355   13.3028720    2.6008540  0.00    0.0047076   -0.0025286   -0.0007581
 H    2.5895836   12.3120132    2.1874349  0.00   -0.0019230   -0.0002753    0.0008374
 C   -0.0502785   12.8490341    2.7052096  0.00   -0.0008506    0.0035903    0.0004386
 C   -1.3241258   13.6552484    2.9184195  0.00   -0.0015785    0.0009554   -0.0010688
 C   -1.3054374   14.9180165    3.4511380  0.00   -0.0016082   -0.0021108    0.0010017
 C    1.0770720   14.9878153    3.4559908  0.00    0.0042460   -0.0026525   -0.0003529
 C    1.1724088   13.7302489    2.9196233  0.00   -0.0017878    0.0034178    0.0005527
 C   -0.0151519   11.6921100    3.7166130  0.00    0.0009575   -0.0019521   -0.0012736
 H   -0.0262899   12.0662334    4.7421271  0.00   -0.0001768   -0.0016156    0.0005427
 H    0.8884449   11.0944498    3.5807861  0.00    0.0000235   -0.0029600    0.0003440
 H   -0.8805462   11.0403686    3.5811835  0.00   -0.0007586   -0.0031247   -0.0000329
 C   -0.0329031   12.2859012    1.2787375  0.00    0.0012979   -0.0021419   -0.0013215
 H   -0.8910977   11.6359158    1.1063500  0.00   -0.0002917   -0.0023552   -0.0000155
 H    0.8633472   11.6891553    1.1071868  0.00   -0.0005378   -0.0018713   -0.0004259
 H   -0.0570057   13.0891156    0.5402469  0.00    0.0000417   -0.0011554   -0.0024660
 C   -5.1323645   13.3126558    2.4312377  0.00    0.0006036    0.0008421    0.0004465
 C   -6.0188982   13.2982647    3.6816035  0.00   -0.0009168    0.0000607    0.0009007
 H   -5.5793297   12.6813712    4.4689018  0.00    0.0000395   -0.0002578    0.0009306
 H   -7.0027356   12.8897276    3.4390786  0.00   -0.0029312   -0.0033083   -0.0008071
 H   -6.1712199   14.3023023    4.0829928  0.00   -0.0007296   -0.0013192    0.0021576
 C   -5.7796010   14.2028630    1.3639381  0.00    0.0000950    0.0014635   -0.0010248
 H   -5.9089714   15.2289095    1.7149927  0.00    0.0000113    0.0018046   -0.0030013
 H   -6.7678611   13.8173278    1.1018362  0.00   -0.0010288   -0.0026087   -0.0013130
 H   -5.1741290   14.2288024    0.4546890  0.00   -0.0001272    0.0016395   -0.0011381
 C   -5.0531934   11.8895132    1.8845162  0.00   -0.0019981    0.0015504    0.0002470
 H   -4.4652182   11.8366231    0.9647950  0.00    0.0003001    0.0007762    0.0015548
 H   -6.0585370   11.5347080    1.6484650  0.00   -0.0011112    0.0035787    0.0011171
 H   -4.6249363   11.1955264    2.6120638  0.00    0.0009088    0.0011192    0.0002277
 C    4.9959377   13.6165778    2.4433839  0.00    0.0017233    0.0022917    0.0006283
 C    5.6095557   14.5589638    1.4015383  0.00   -0.0003997    0.0009092   -0.0017038
 H    6.6184448   14.2279943    1.1435233  0.00    0.0005762   -0.0028187   -0.0010633
 H    5.6856514   15.5827047    1.7741925  0.00   -0.0002680    0.0019480   -0.0027592
 H    5.0133882   14.5734212    0.4858894  0.00    0.0003324    0.0019878   -0.0012672
 C    5.8650751   13.6264198    3.7062752  0.00    0.0007252   -0.0007525    0.0005354
 H    5.4506301   12.9688348    4.4740112  0.00    0.0002167    0.0000940    0.0011305
 H    5.9531219   14.6288350    4.1305031  0.00    0.0004018   -0.0011462    0.0020822
 H    6.8740455   13.2797817    3.4702468  0.00    0.0021671   -0.0027026   -0.0005311
 C    5.0002691   12.2017550    1.8701656  0.00    0.0003300    0.0006915   -0.0000934
 H    4.6058959   11.4714267    2.5810633  0.00   -0.0008110    0.0011878    0.0003054
 H    6.0254049   11.9072659    1.6365441  0.00    0.0018644    0.0042170    0.0012429
 H    4.4226802   12.1338499    0.9448255  0.00   -0.0001501    0.0006099    0.0015222
 C   -3.1680387   17.9822474    4.2642522  0.00   -0.0001365    0.0044149    0.0028374
 C   -3.9412455   18.1616441    5.4355083  0.00    0.0025555    0.0016815   -0.0010880
 C   -4.8723075   19.1951585    5.4660060  0.00    0.0017857   -0.0008916   -0.0051613
 H   -5.4752253   19.3365064    6.3550892  0.00   -0.0028957    0.0021912    0.0006064
 C   -5.0540509   20.0336640    4.3836255  0.00    0.0022053   -0.0015824    0.0028701
 H   -5.7920833   20.8258367    4.4274158  0.00   -0.0006375    0.0047984    0.0003816
 C   -4.2934493   19.8582504    3.2421002  0.00   -0.0009848   -0.0006861    0.0008054
 H   -4.4472557   20.5198314    2.3985462  0.00   -0.0012182   -0.0010602    0.0027423
 C   -3.3456782   18.8451216    3.1524250  0.00    0.0048703   -0.0014027    0.0032744
 C   -2.5906897   18.6659812    1.8507450  0.00    0.0039747   -0.0021492    0.0011224
 H   -1.6877517   18.0758026    2.0582178  0.00   -0.0015845    0.0010240    0.0004456
 C   -3.4197274   17.8681197    0.8416695  0.00    0.0002279   -0.0002672   -0.0003817
 H   -3.6879956   16.8826724    1.2227548  0.00    0.0013981    0.0019954    0.0018008
 H   -2.8601272   17.7335907   -0.0870465  0.00   -0.0007782   -0.0003347   -0.0004724
 H   -4.3413794   18.4056082    0.6034486  0.00   -0.0011189   -0.0013976   -0.0005418
 C   -2.1601981   19.9914938    1.2295164  0.00   -0.0021307    0.0015414   -0.0009242
 H   -3.0168639   20.5566459    0.8575095  0.00   -0.0011387    0.0007062    0.0009599
 H   -1.5068073   19.8104793    0.3745038  0.00   -0.0029448    0.0001233    0.0028637
 H   -1.6273580   20.6301742    1.9383011  0.00   -0.0019360    0.0002243   -0.0034893
 C   -3.8367568   17.2469897    6.6355343  0.00    0.0015875   -0.0027629    0.0013415
 H   -2.9574108   16.6153046    6.4951212  0.00   -0.0022765   -0.0017234    0.0015106
 C   -5.0513884   16.3229073    6.7299074  0.00   -0.0022675    0.0003557   -0.0010577
 H   -5.9737784   16.8996943    6.8350454  0.00   -0.0014587   -0.0004925   -0.0009301
 H   -4.9648507   15.6725853    7.6036442  0.00   -0.0007358   -0.0024614   -0.0008959
 H   -5.1443675   15.6874846    5.8485090  0.00   -0.0002524    0.0016110   -0.0000678
 C   -3.6721096   18.0217863    7.9425060  0.00   -0.0028960    0.0013495   -0.0022321
 H   -2.8648771   18.7573464    7.8916405  0.00   -0.0024506   -0.0006150    0.0023088
 H   -3.4545005   17.3360268    8.7649055  0.00   -0.0002664   -0.0002300   -0.0043598
 H   -4.5844529   18.5601747    8.2085977  0.00    0.0002925    0.0014841   -0.0013064
 C    2.7354673   18.1606614    4.2792618  0.00   -0.0048200   -0.0001803   -0.0028303
 C    2.8742481   18.9968111    3.1435735  0.00   -0.0031101   -0.0003757    0.0034766
 C    3.7227205   20.0951576    3.2244161  0.00   -0.0021578   -0.0019234   -0.0013842
 H    3.8448844   20.7380092    2.3604694  0.00    0.0011934   -0.0018249    0.0028018
 C    4.4235422   20.3772588    4.3824964  0.00    0.0002004    0.0044745    0.0003771
 H    5.0822742   21.2368673    4.4229396  0.00   -0.0004946    0.0023521   -0.0002780
 C    4.2891675   19.5555206    5.4851930  0.00    0.0037058    0.0007761    0.0037363
 H    4.8528055   19.7765042    6.3840262  0.00    0.0003893    0.0016435   -0.0032891
 C    3.4607366   18.4381380    5.4619010  0.00   -0.0056689   -0.0047632    0.0023202
 C    3.4242244   17.5320497    6.6725456  0.00    0.0048796    0.0035114    0.0021501
 H    2.5944832   16.8354963    6.5396376  0.00   -0.0012549   -0.0040235    0.0008464
 C    4.7046686   16.7001578    6.7642580  0.00   -0.0004002    0.0011847    0.0005292
 H    4.8384846   16.0688918    5.8848966  0.00    0.0000290    0.0013642   -0.0000244
 H    4.6716876   16.0497334    7.6415891  0.00    0.0011872   -0.0015804   -0.0009240
 H    5.5823936   17.3443694    6.8593263  0.00    0.0022272    0.0003513    0.0003600
 C    3.2065496   18.2998494    7.9753125  0.00    0.0023864   -0.0002011   -0.0033230
 H    4.0759263   18.9070993    8.2368161  0.00    0.0003742    0.0014041   -0.0019009
 H    3.0437909   17.6037842    8.8016540  0.00    0.0001526   -0.0001571   -0.0037575
 H    2.3450343   18.9711413    7.9237047  0.00    0.0030635    0.0001669    0.0019612
 C    2.1805275   18.7077827    1.8291430  0.00   -0.0010164   -0.0009156   -0.0013430
 H    1.4345502   17.9235444    2.0025661  0.00    0.0023269    0.0007407   -0.0003396
 C    1.4618746   19.9335789    1.2735465  0.00    0.0016237    0.0001653   -0.0004302
 H    0.7651209   20.3666917    1.9963901  0.00    0.0013760   -0.0001628   -0.0034995
 H    0.8989533   19.6679635    0.3766853  0.00    0.0027005    0.0006812    0.0024926
 H    2.1653667   20.7191224    0.9909080  0.00    0.0007080    0.0001877    0.0001926
 C    3.1694463   18.1639674    0.7967178  0.00   -0.0010719    0.0002081   -0.0009208
 H    3.9462829   18.9022130    0.5817884  0.00   -0.0000478   -0.0010444    0.0001785
 H    2.6539015   17.9379773   -0.1396239  0.00    0.0008515   -0.0007698   -0.0005021
 H    3.6537797   17.2511354    1.1452460  0.00   -0.0002694    0.0006560    0.0024589
 C   -0.1884780   16.9677888    7.1184233  0.00   -0.0012136   -0.0032088   -0.0013629
 H    0.6656195   17.5061238    7.5644613  0.00    0.0000650   -0.0014379   -0.0013105
 H   -1.0910029   17.4336744    7.5501798  0.00    0.0016388   -0.0021082   -0.0012896
 C    1.4385138   14.3295359    7.2608549  0.00   -0.0029601   -0.0015999    0.0024129
 H    1.5517877   14.2910760    6.1743308  0.00   -0.0016769    0.0013064    0.0003899
 H    1.4145128   13.2981654    7.6256420  0.00    0.0021017    0.0010629   -0.0008075
 H    2.3365567   14.7942049    7.6753095  0.00   -0.0011090    0.0000735   -0.0008546
 C   -0.1300542   15.2838817    9.6880761  0.00   -0.0003177    0.0007477    0.0030890
 H    0.7315379   15.8379195   10.0700708  0.00    0.0010983    0.0007679    0.0006294
 H   -0.0942381   14.2791036   10.1183174  0.00    0.0001746   -0.0023196    0.0007611
 H   -1.0315548   15.7733796   10.0661647  0.00   -0.0009735    0.0005844    0.0005332
 C   -1.6144009   14.2193263    7.2531917  0.00    0.0019244   -0.0002421    0.0011214
 H   -2.5446543   14.6184031    7.6650380  0.00    0.0008425   -0.0006119   -0.0010025
 H   -1.5190280   13.1913481    7.6155777  0.00   -0.0011961    0.0002730   -0.0003225
 H   -1.7204895   14.1761669    6.1660780  0.00    0.0012936    0.0008408    0.0008123
129
 Energy =   -2867.2893963830
 O   -0.1328110   15.5644175    3.8321128  0.00    0.0004038   -0.0030437   -0.0013246
Th   -0.2008236   17.7696432    4.8687297  0.00   -0.0001570    0.0040172   -0.0018793
Si   -0.1233386   15.2123998    7.8139610  0.00    0.0002370    0.0030496    0.0020082
 N   -2.1752518   16.9616880    4.1993127  0.00    0.0013320    0.0006032    0.0004476
 N    1.8216668   17.0692976    4.2276485  0.00   -0.0013739   -0.0027186   -0.0011975
 C   -2.5900654   13.1490641    2.5987768  0.00    0.0017357   -0.0017972    0.0001491
 H   -2.6516226   12.1515478    2.1878682  0.00    0.0016293   -0.0001277    0.0009909
 C   -3.7577861   13.8750810    2.7901076  0.00   -0.0013599   -0.0022198   -0.0015672
 C   -3.6667500   15.1671730    3.3222336  0.00    0.0015039    0.0028074    0.0016791
 H   -4.5569408   15.7674634    3.4680044  0.00    0.0047063   -0.0000528    0.0002259
 C   -2.4370398   15.7056682    3.6610714  0.00   -0.0013660    0.0006674   -0.0011217
 C    2.1600808   15.8388826    3.6747743  0.00   -0.0061250    0.0037751    0.0016327
 C    3.4198777   15.3797158    3.3318993  0.00    0.0040461   -0.0017238   -0.0006150
 H    4.2727346   16.0303793    3.4850344  0.00   -0.0058999    0.0001668    0.0008681
 C    3.5889301   14.0971926    2.7949475  0.00   -0.0006130   -0.0000344   -0.0001788
 C    2.4671636   13.3026466    2.6006141  0.00    0.0026600   -0.0038107   -0.0014013
 H    2.5895824   12.3117359    2.1871566  0.00   -0.0024245    0.0008718    0.0013206
 C   -0.0503148   12.8488624    2.7050450  0.00    0.0008161    0.0023054    0.0003898
 C   -1.3240945   13.6550086    2.9181829  0.00   -0.0023819    0.0027499    0.0003732
 C   -1.3053993   14.9178187    3.4510333  0.00   -0.0010388   -0.0025992    0.0001367
 C    1.0770342   14.9875054    3.4558423  0.00    0.0024021    0.0011477    0.0008046
 C    1.1724067   13.7301085    2.9194519  0.00   -0.0012610   -0.0004705   -0.0006782
 C   -0.0151320   11.6919832    3.7165643  0.00    0.0004479   -0.0029132   -0.0014557
 H   -0.0262857   12.0659390    4.7420662  0.00   -0.0001672   -0.0002584    0.0014804
 H    0.8884255   11.0942260    3.5810558  0.00    0.0003580   -0.0028631   -0.0005191
 H   -0.8805162   11.0401372    3.5814669  0.00   -0.0007057   -0.0028569   -0.0008435
 C   -0.0328650   12.2856891    1.2785294  0.00    0.0005277   -0.0023258   -0.0007899
 H   -0.8911373   11.6357889    1.1060397  0.00    0.0002804   -0.0023896    0.0002723
 H    0.8634013   11.6890419    1.1068581  0.00   -0.0004986   -0.0022572   -0.0001099
 H   -0.0569920   13.0888587    0.5400515  0.00    0.0000409   -0.0003961   -0.0027209
 C   -5.1323580   13.3123533    2.4309406  0.00    0.0010372    0.0026098    0.0010212
 C   -6.0189840   13.2977466    3.6813440  0.00   -0.0008151   -0.0008449   -0.0003437
 H   -5.5790832   12.6809584    4.4685878  0.00   -0.0005502   -0.0000915    0.0006002
 H   -7.0027646   12.8888296    3.4386718  0.00   -0.0011622   -0.0023529    0.0000398
 H   -6.1714060   14.3017364    4.0827832  0.00   -0.0012923   -0.0012105    0.0020950
 C   -5.7796090   14.2024967    1.3634789  0.00    0.0000462    0.0001760   -0.0008026
 H   -5.9090147   15.2285730    1.7143995  0.00   -0.0005228    0.0017683   -0.0027908
 H   -6.7678169   13.8166476    1.1012319  0.00    0.0004109   -0.0016016   -0.0010911
 H   -5.1738543   14.2284598    0.4543885  0.00   -0.0006321    0.0014546   -0.0009393
 C   -5.0529772   11.8892892    1.8842256  0.00   -0.0002730    0.0009682    0.0002855
 H   -4.4647745   11.8365294    0.9646138  0.00   -0.0003969    0.0008080    0.0015090
 H   -6.0582519   11.5343848    1.6481382  0.00   -0.0012427    0.0030903    0.0009007
 H   -4.6244541   11.1953810    2.6117505  0.00    0.0001474    0.0013445    0.0000437
 C    4.9959895   13.6162825    2.4430944  0.00   -0.0002809    0.0021005    0.0006724
 C    5.6095672   14.5585294    1.4010516  0.00   -0.0003727    0.0007834   -0.0010280
 H    6.6183860   14.2272424    1.1429143  0.00   -0.0003498   -0.0020063   -0.0010752
 H    5.6857135   15.5823552    1.7735658  0.00    0.0002791    0.0013012   -0.0027936
 H    5.0131148   14.5730253    0.4855791  0.00    0.0007101    0.0017044   -0.0012390
 C    5.8651788   13.6258781    3.7059874  0.00    0.0005536   -0.0003873    0.0001059
 H    5.4504140   12.9684557    4.4737245  0.00    0.0006571    0.0001198    0.0007886
 H    5.9533608   14.6282876    4.1302798  0.00    0.0009488   -0.0015374    0.0017438
 H    6.8740765   13.2788761    3.4698435  0.00    0.0010767   -0.0021724    0.0001100
 C    4.9999971   12.2014400    1.8699179  0.00    0.0005147    0.0009197    0.0001144
 H    4.6054280   11.4712204    2.5808362  0.00   -0.0001921    0.0013093    0.0003165
 H    6.0251397   11.9069305    1.6362652  0.00    0.0012837    0.0036077    0.0010416
 H    4.4221991   12.1336408    0.9447145  0.00    0.0002919    0.0006359    0.0011622
 C   -3.1672470   17.9825952    4.2646179  0.00    0.0023695    0.0020970   -0.0055680
 C   -3.9403622   18.1621269    5.4356263  0.00    0.0051780   -0.0051625    0.0041135
 C   -4.8710217   19.1956432    5.4662982  0.00   -0.0047443    0.0027789    0.0012364
 H   -5.4739800   19.3371343    6.3556405  0.00   -0.0004387    0.0012267   -0.0025996
 C   -5.0528923   20.0343040    4.3841661  0.00    0.0023935    0.0020998    0.0019487
 H   -5.7905772   20.8269331    4.4281501  0.00    0.0002164    0.0030543    0.0006813
 C   -4.2921135   19.8592468    3.2427774  0.00    0.0038897   -0.0043465    0.0001494
 H   -4.4454428   20.5210679    2.3994539  0.00   -0.0016585    0.0002248    0.0017449
 C   -3.3443426   18.8458378    3.1528501  0.00    0.0005552    0.0013254    0.0066817
 C   -2.5896048   18.6667036    1.8511767  0.00    0.0039459   -0.0017490   -0.0003627
 H   -1.6861970   18.0770623    2.0585535  0.00   -0.0023333    0.0020004    0.0001931
 C   -3.4185370   17.8679456    0.8426761  0.00   -0.0002914    0.0008898   -0.0011725
 H   -3.6861739   16.8827529    1.2244179  0.00    0.0007538   -0.0001605    0.0026543
 H   -2.8591733   17.7329787   -0.0860883  0.00   -0.0001561   -0.0001634   -0.0006111
 H   -4.3406075   18.4047733    0.6041260  0.00    0.0003158   -0.0019242    0.0003632
 C   -2.1602020   19.9921434    1.2290788  0.00   -0.0020198    0.0023783    0.0001739
 H   -3.0170397   20.5566287    0.8565071  0.00   -0.0019891   -0.0002426    0.0008500
 H   -1.5065542   19.8111262    0.3744319  0.00   -0.0018584   -0.0005768    0.0011884
 H   -1.6278836   20.6317399    1.9373601  0.00   -0.0016947    0.0007624   -0.0027828
 C   -3.8361650   17.2467737    6.6354766  0.00   -0.0050867    0.0028032    0.0010193
 H   -2.9571808   16.6148808    6.4951483  0.00   -0.0000000   -0.0027786    0.0009186
 C   -5.0513263   16.3231487    6.7291323  0.00   -0.0005397   -0.0002642   -0.0001474
 H   -5.9737151   16.8999717    6.8341421  0.00   -0.0007887   -0.0000772   -0.0009284
 H   -4.9651704   15.6722921    7.6025492  0.00   -0.0010212   -0.0019391   -0.0009900
 H   -5.1439682   15.6880575    5.8475549  0.00   -0.0006682    0.0010767   -0.0013935
 C   -3.6718903   18.0212406    7.9427836  0.00   -0.0009598    0.0001430   -0.0026229
 H   -2.8649303   18.7570975    7.8923983  0.00   -0.0017770   -0.0004357    0.0018249
 H   -3.4538141   17.3351133    8.7646718  0.00   -0.0003221   -0.0008593   -0.0033680
 H   -4.5841616   18.5593190    8.2095068  0.00   -0.0011580    0.0010685   -0.0018097
 C    2.7344974   18.1607637    4.2793606  0.00   -0.0001126    0.0006091   -0.0001765
 C    2.8730988   18.9972418    3.1439332  0.00   -0.0037886   -0.0002776    0.0005551
 C    3.7213475   20.0957373    3.2246931  0.00   -0.0014371   -0.0023234    0.0015988
 H    3.8432469   20.7386433    2.3608493  0.00    0.0011952   -0.0010808    0.0018002
 C    4.4223896   20.3778139    4.3827097  0.00   -0.0021045    0.0035049    0.0023815
 H    5.0807323   21.2376983    4.4232523  0.00   -0.0001395    0.0022664   -0.0004081
 C    4.2879586   19.5561598    5.4856067  0.00   -0.0013317   -0.0018361   -0.0024142
 H    4.8512921   19.7772548    6.3843134  0.00    0.0023132    0.0023615   -0.0000200
 C    3.4596311   18.4384430    5.4621715  0.00   -0.0030468    0.0000408    0.0000168
 C    3.4236910   17.5322298    6.6725597  0.00    0.0038580    0.0016649    0.0032579
 H    2.5940960   16.8351944    6.5397984  0.00    0.0004780   -0.0019952    0.0011041
 C    4.7044299   16.7007397    6.7635968  0.00    0.0006354    0.0003127    0.0003701
 H    4.8379812   16.0697712    5.8840121  0.00    0.0001756    0.0014009   -0.0008220
 H    4.6720169   16.0497697    7.6405383  0.00    0.0010003   -0.0012585   -0.0004284
 H    5.5821859   17.3449944    6.8585224  0.00    0.0012799    0.0003550    0.0003221
 C    3.2062727   18.2996480    7.9755684  0.00    0.0011093    0.0004666   -0.0025396
 H    4.0755008   18.9069289    8.2374752  0.00    0.0009944    0.0008150   -0.0024253
 H    3.0434023   17.6032925    8.8015920  0.00    0.0004932   -0.0007601   -0.0032066
 H    2.3447990   18.9710635    7.9244645  0.00    0.0027758   -0.0002814    0.0015605
 C    2.1796171   18.7080800    1.8293815  0.00   -0.0013249   -0.0008029   -0.0012247
 H    1.4332470   17.9241677    2.0027988  0.00    0.0022931    0.0010895   -0.0000255
 C    1.4616661   19.9338482    1.2729839  0.00    0.0017082    0.0014298   -0.0001587
 H    0.7653936   20.3680710    1.9955585  0.00    0.0010790    0.0002032   -0.0028433
 H    0.8982963   19.6679242    0.3765981  0.00    0.0021702   -0.0000407    0.0014988
 H    2.1654274   20.7188201    0.9894326  0.00    0.0012476   -0.0003149   -0.0001248
 C    3.1685769   18.1633850    0.7975108  0.00   -0.0001472    0.0004048   -0.0013493
 H    3.9459937   18.9010600    0.5824894  0.00   -0.0004731   -0.0014193    0.0006420
 H    2.6534213   17.9372171   -0.1389728  0.00    0.0002281   -0.0006878   -0.0006740
 H    3.6521968   17.2504797    1.1466230  0.00    0.0001866   -0.0003290    0.0028428
 C   -0.1885514   16.9678172    7.1182030  0.00   -0.0001820   -0.0018149   -0.0019329
 H    0.6655254   17.5062628    7.5642434  0.00   -0.0004630   -0.0013928   -0.0014181
 H   -1.0910745   17.4336311    7.5498921  0.00    0.0009932   -0.0014706   -0.0009356
 C    1.4382912   14.3296510    7.2616340  0.00   -0.0017147   -0.0010722    0.0018900
 H    1.5518598   14.2909616    6.1751398  0.00   -0.0019105    0.0012904    0.0003656
 H    1.4142227   13.2984006    7.6265656  0.00    0.0016989    0.0000591   -0.0003225
 H    2.3363798   14.7941859    7.6761043  0.00   -0.0007583    0.0003713   -0.0005750
 C   -0.1301411   15.2849185    9.6884627  0.00   -0.0000596    0.0005700    0.0021835
 H    0.7316093   15.8390024   10.0701185  0.00    0.0003590    0.0004280    0.0010058
 H   -0.0943124   14.2800381   10.1184945  0.00    0.0001482   -0.0016134    0.0016490
 H   -1.0317231   15.7744838   10.0663040  0.00   -0.0003946    0.0004214    0.0008933
 C   -1.6142362   14.2194331    7.2538631  0.00    0.0013633   -0.0005785    0.0014739
 H   -2.5445850   14.6181887    7.6657154  0.00    0.0003788   -0.0001898   -0.0006536
 H   -1.5186509   13.1915417    7.6163946  0.00   -0.0008559   -0.0000258   -0.0001676
 H   -1.7205254   14.1760205    6.1668120  0.00    0.0014684    0.0008494    0.0002685
129
 Energy =   -2867.2894082900
 O   -0.1328048   15.5639719    3.8312190  0.00   -0.0007806   -0.0019126    0.0005409
Th   -0.2008767   17.7699888    4.8677805  0.00    0.0002486    0.0009455    0.0000217
Si   -0.1235619   15.2144925    7.8162069  0.00   -0.0005947    0.0001727   -0.0006009
 N   -2.1743932   16.9612525    4.1982548  0.00   -0.0005573    0.0031018    0.0004232
 N    1.8209558   17.0683563    4.2275759  0.00   -0.0016836   -0.0028234   -0.0021449
 C   -2.5896621   13.1485981    2.5974946  0.00    0.0001361   -0.0034146   -0.0014084
 H   -2.6513429   12.1513206    2.1859390  0.00    0.0037087    0.0005221    0.0021507
 C   -3.7574874   13.8742898    2.7886622  0.00   -0.0006551   -0.0024492   -0.0001170
 C   -3.6663264   15.1662100    3.3211813  0.00   -0.0048697    0.0031066    0.0005792
 H   -4.5570503   15.7655917    3.4662367  0.00    0.0030556    0.0035069    0.0016719
 C   -2.4370039   15.7053796    3.6602158  0.00   -0.0010048   -0.0001797   -0.0006362
 C    2.1600643   15.8384401    3.6742071  0.00   -0.0022342    0.0005333    0.0008429
 C    3.4198475   15.3786499    3.3311107  0.00    0.0025163   -0.0003164   -0.0009987
 H    4.2732239   16.0284931    3.4837380  0.00   -0.0045125    0.0033313    0.0022736
 C    3.5887457   14.0962942    2.7935750  0.00    0.0005817    0.0011908    0.0020183
 C    2.4669559   13.3020558    2.5994051  0.00   -0.0008455   -0.0022325   -0.0006088
 H    2.5893440   12.3113603    2.1856920  0.00   -0.0039896   -0.0004100    0.0012430
 C   -0.0503685   12.8488828    2.7046249  0.00    0.0028987   -0.0031731   -0.0008389
 C   -1.3240845   13.6548238    2.9173395  0.00   -0.0009777    0.0010098    0.0007231
 C   -1.3054750   14.9174376    3.4504145  0.00    0.0019002   -0.0015165   -0.0001410
 C    1.0769908   14.9871026    3.4552642  0.00    0.0033092    0.0014585    0.0002120
 C    1.1724030   13.7298874    2.9187071  0.00   -0.0011442   -0.0026429   -0.0012934
 C   -0.0150547   11.6923253    3.7167862  0.00   -0.0012926   -0.0041512    0.0001257
 H   -0.0262194   12.0661813    4.7422804  0.00   -0.0001200    0.0030272    0.0017542
 H    0.8884690   11.0943787    3.5824593  0.00    0.0013500   -0.0030859   -0.0032413
 H   -0.8804567   11.0401954    3.5830099  0.00   -0.0005590   -0.0024486   -0.0035192
 C   -0.0327354   12.2857403    1.2779083  0.00   -0.0018688   -0.0011656   -0.0000903
 H   -0.8912663   11.6362696    1.1047946  0.00    0.0018795   -0.0031147    0.0011726
 H    0.8636679   11.6896179    1.1056365  0.00   -0.0003825   -0.0039584    0.0007905
 H   -0.0569392   13.0892298    0.5398105  0.00    0.0001020    0.0005410   -0.0028858
 C   -5.1316847   13.3105591    2.4290571  0.00    0.0006898    0.0030779    0.0008238
 C   -6.0188443   13.2944241    3.6792758  0.00    0.0006972   -0.0011517   -0.0023972
 H   -5.5774351   12.6782777    4.4663671  0.00   -0.0029725    0.0007239   -0.0006133
 H   -7.0020352   12.8836466    3.4360803  0.00    0.0030030    0.0001619    0.0020986
 H   -6.1724190   14.2982445    4.0808543  0.00   -0.0026570   -0.0022841    0.0018349
 C   -5.7791547   14.1997940    1.3607425  0.00    0.0010566   -0.0011263    0.0007302
 H   -5.9092718   15.2260247    1.7111018  0.00   -0.0017875    0.0008758   -0.0029748
 H   -6.7668685   13.8126177    1.0976851  0.00    0.0036897    0.0007486   -0.0003102
 H   -5.1720472   14.2258016    0.4524583  0.00   -0.0026084    0.0014576   -0.0006366
 C   -5.0502978   11.8876301    1.8822524  0.00    0.0026543    0.0009102    0.0009630
 H   -4.4611613   11.8360202    0.9631319  0.00   -0.0021379    0.0004078    0.0009630
 H   -6.0549396   11.5314190    1.6456719  0.00   -0.0013561    0.0024210    0.0006392
 H   -4.6205867   11.1943534    2.6098052  0.00   -0.0019944    0.0016809   -0.0003690
 C    4.9954770   13.6143241    2.4412772  0.00   -0.0031122    0.0014601    0.0006247
 C    5.6091277   14.5554994    1.3982082  0.00   -0.0009307    0.0002260    0.0008865
 H    6.6174246   14.2227390    1.1392766  0.00   -0.0026924    0.0001697   -0.0009081
 H    5.6861015   15.5796242    1.7699986  0.00    0.0015389   -0.0002092   -0.0030449
 H    5.0112616   14.5699029    0.4835984  0.00    0.0023980    0.0015995   -0.0013400
 C    5.8652061   13.6225289    3.7038825  0.00   -0.0004991    0.0003070   -0.0010160
 H    5.4489414   12.9659148    4.4716536  0.00    0.0026220    0.0006599   -0.0003197
 H    5.9548211   14.6248688    4.1282506  0.00    0.0021854   -0.0026671    0.0010926
 H    6.8734752   13.2734929    3.4671676  0.00   -0.0017108   -0.0004763    0.0020066
 C    4.9971350   12.1993211    1.8683055  0.00   -0.0000709    0.0018039    0.0009362
 H    4.6015410   11.4698279    2.5795161  0.00    0.0019238    0.0018576   -0.0000229
 H    6.0217883   11.9036432    1.6340826  0.00    0.0008329    0.0022840    0.0005358
 H    4.4182092   12.1324326    0.9437379  0.00    0.0019261    0.0003327    0.0002624
 C   -3.1637188   17.9846224    4.2653380  0.00    0.0025281   -0.0025109   -0.0069528
 C   -3.9359193   18.1642897    5.4367627  0.00    0.0023751   -0.0069648    0.0062722
 C   -4.8644775   19.1997253    5.4690065  0.00   -0.0061382    0.0019619    0.0049038
 H   -5.4664377   19.3415498    6.3590785  0.00   -0.0004094    0.0003357   -0.0038587
 C   -5.0453734   20.0399756    4.3879840  0.00    0.0061394    0.0060433    0.0031116
 H   -5.7812416   20.8344695    4.4333466  0.00    0.0018322   -0.0000014    0.0002595
 C   -4.2838374   19.8659130    3.2468621  0.00    0.0044586   -0.0034915   -0.0006432
 H   -4.4346535   20.5303342    2.4051551  0.00   -0.0022449   -0.0005099    0.0011660
 C   -3.3380462   18.8507214    3.1553829  0.00   -0.0011950    0.0020071    0.0037499
 C   -2.5838296   18.6711604    1.8533200  0.00   -0.0016526    0.0021262   -0.0032918
 H   -1.6776140   18.0857895    2.0611974  0.00   -0.0029104    0.0021730   -0.0003150
 C   -3.4110409   17.8657176    0.8484838  0.00   -0.0003761    0.0015177   -0.0013238
 H   -3.6748102   16.8815293    1.2347157  0.00   -0.0009644   -0.0040032    0.0031584
 H   -2.8520824   17.7281743   -0.0800410  0.00    0.0013813    0.0008758   -0.0017709
 H   -4.3353870   18.3980383    0.6079287  0.00    0.0033440   -0.0013757    0.0027991
 C   -2.1606093   19.9960061    1.2256689  0.00   -0.0004084    0.0029822    0.0027844
 H   -3.0188238   20.5555493    0.8489510  0.00   -0.0050103   -0.0027736    0.0020077
 H   -1.5050587   19.8141637    0.3730424  0.00    0.0001728   -0.0021439   -0.0032715
 H   -1.6316707   20.6412878    1.9310195  0.00   -0.0002633    0.0021424    0.0005117
 C   -3.8341689   17.2458832    6.6347102  0.00   -0.0098654    0.0065480    0.0015722
 H   -2.9560493   16.6128278    6.4939157  0.00   -0.0006644   -0.0014825    0.0010175
 C   -5.0509952   16.3236857    6.7240215  0.00    0.0011097   -0.0007792    0.0012152
 H   -5.9733288   16.9009143    6.8282183  0.00    0.0017555    0.0001232   -0.0004941
 H   -4.9672082   15.6701655    7.5957235  0.00   -0.0011580   -0.0003623   -0.0003850
 H   -5.1420222   15.6907028    5.8409524  0.00   -0.0017041    0.0000295   -0.0038156
 C   -3.6703905   18.0164927    7.9445342  0.00    0.0002097    0.0000668   -0.0018271
 H   -2.8648602   18.7538893    7.8967506  0.00    0.0007416    0.0003053   -0.0004812
 H   -3.4497993   17.3277656    8.7633957  0.00   -0.0011251   -0.0025461   -0.0011741
 H   -4.5826744   18.5524667    8.2154238  0.00   -0.0035420   -0.0007767   -0.0051264
 C    2.7306296   18.1619227    4.2799547  0.00    0.0054940    0.0036723    0.0000978
 C    2.8672564   18.9998788    3.1452190  0.00   -0.0012667   -0.0001670    0.0009739
 C    3.7137361   20.0998242    3.2264125  0.00   -0.0018520   -0.0041334    0.0037089
 H    3.8338497   20.7435453    2.3630147  0.00    0.0020009   -0.0007037    0.0009802
 C    4.4148156   20.3822944    4.3844276  0.00   -0.0079994    0.0036473    0.0049492
 H    5.0713748   21.2436006    4.4254277  0.00   -0.0001018    0.0006962   -0.0003356
 C    4.2804850   19.5605963    5.4875462  0.00   -0.0019485   -0.0007557   -0.0058059
 H    4.8423387   19.7830216    6.3867733  0.00    0.0034298    0.0017459    0.0009067
 C    3.4542978   18.4412048    5.4634328  0.00   -0.0009578    0.0002161   -0.0017839
 C    3.4211477   17.5332337    6.6725491  0.00    0.0006090   -0.0016600    0.0023403
 H    2.5922978   16.8345698    6.5397150  0.00    0.0059311    0.0036987    0.0022360
 C    4.7033464   16.7035196    6.7589374  0.00    0.0025230   -0.0021201    0.0006591
 H    4.8352849   16.0747252    5.8776357  0.00    0.0007378    0.0013238   -0.0024070
 H    4.6741276   16.0497321    7.6338730  0.00    0.0003180    0.0002149    0.0011617
 H    5.5808699   17.3483694    6.8529235  0.00   -0.0008235    0.0004090    0.0009219
 C    3.2045259   18.2972734    7.9775732  0.00   -0.0006252    0.0018910    0.0007238
 H    4.0727211   18.9050804    8.2417636  0.00    0.0032707   -0.0012144   -0.0053620
 H    3.0423732   17.5984583    8.8015886  0.00    0.0014238   -0.0016538   -0.0021755
 H    2.3424806   18.9680921    7.9297509  0.00    0.0010590   -0.0001780   -0.0007625
 C    2.1747555   18.7095001    1.8305760  0.00   -0.0026446   -0.0011842   -0.0037914
 H    1.4257880   17.9281545    2.0050534  0.00    0.0026444    0.0010326    0.0002062
 C    1.4607068   19.9350332    1.2689778  0.00    0.0016522    0.0045726    0.0011401
 H    0.7677070   20.3761560    1.9903108  0.00   -0.0002814    0.0004693   -0.0006856
 H    0.8941191   19.6663115    0.3757337  0.00    0.0015447   -0.0015836   -0.0019461
 H    2.1662286   20.7159999    0.9788414  0.00    0.0032077   -0.0013043    0.0005794
 C    3.1635105   18.1584669    0.8018812  0.00    0.0023336   -0.0000284   -0.0011242
 H    3.9445898   18.8922430    0.5864346  0.00   -0.0019994   -0.0009701    0.0018400
 H    2.6497968   17.9316084   -0.1351278  0.00   -0.0016591   -0.0004017   -0.0014458
 H    3.6425651   17.2446448    1.1545495  0.00    0.0014233   -0.0016202    0.0026982
 C   -0.1890783   16.9680089    7.1175864  0.00    0.0019157    0.0016231   -0.0043593
 H    0.6645177   17.5069207    7.5641193  0.00   -0.0015596   -0.0007479   -0.0022653
 H   -1.0919782   17.4329839    7.5489793  0.00   -0.0003296    0.0009107   -0.0005682
 C    1.4376904   14.3297598    7.2667189  0.00    0.0020774   -0.0000038    0.0002310
 H    1.5535174   14.2891823    6.1804990  0.00   -0.0034422    0.0019208    0.0005629
 H    1.4123160   13.2992295    7.6331305  0.00    0.0010869   -0.0025738    0.0004617
 H    2.3356571   14.7937302    7.6819896  0.00    0.0001703    0.0014414   -0.0002532
 C   -0.1306004   15.2912593    9.6902847  0.00    0.0006647   -0.0013160   -0.0000638
 H    0.7316747   15.8459083   10.0701229  0.00   -0.0016185   -0.0009346    0.0025609
 H   -0.0948043   14.2864810   10.1206718  0.00    0.0000924    0.0007130    0.0049893
 H   -1.0323525   15.7816173   10.0667680  0.00    0.0011663   -0.0005258    0.0021653
 C   -1.6137012   14.2193601    7.2583410  0.00   -0.0006164   -0.0016733    0.0018340
 H   -2.5442209   14.6167502    7.6708908  0.00   -0.0010170    0.0013703   -0.0000012
 H   -1.5162930   13.1921132    7.6220624  0.00   -0.0004270   -0.0012711   -0.0000425
 H   -1.7216898   14.1742026    6.1715890  0.00    0.0026603    0.0014264   -0.0009491
129
 Energy =   -2867.2894143590
 O   -0.1328707   15.5635782    3.8308951  0.00    0.0029507    0.0006367    0.0020213
Th   -0.2008694   17.7702136    4.8674855  0.00    0.0003418   -0.0011722   -0.0008344
Si   -0.1236103   15.2148768    7.8167251  0.00   -0.0001075   -0.0016890   -0.0009560
 N   -2.1740628   16.9611272    4.1981021  0.00   -0.0002526    0.0003559   -0.0009482
 N    1.8206123   17.0680018    4.2274927  0.00    0.0005287    0.0009204   -0.0016397
 C   -2.5896537   13.1482923    2.5972672  0.00   -0.0004316    0.0011871    0.0002119
 H   -2.6513502   12.1511344    2.1858321  0.00    0.0036089   -0.0015865    0.0011750
 C   -3.7574230   13.8742045    2.7884382  0.00    0.0008861   -0.0021069    0.0004878
 C   -3.6662665   15.1661084    3.3210316  0.00   -0.0027148    0.0024326    0.0000480
 H   -4.5568415   15.7655202    3.4659027  0.00    0.0007941    0.0044777    0.0020233
 C   -2.4369606   15.7053136    3.6600487  0.00    0.0013976   -0.0025405   -0.0005597
 C    2.1599486   15.8383228    3.6741144  0.00   -0.0001451   -0.0015805   -0.0000518
 C    3.4197578   15.3784879    3.3310053  0.00    0.0009832    0.0006499   -0.0005794
 H    4.2730049   16.0283769    3.4835982  0.00   -0.0029821    0.0038854    0.0023936
 C    3.5886333   14.0962113    2.7934222  0.00    0.0018806    0.0018103    0.0021053
 C    2.4670132   13.3018673    2.5992220  0.00   -0.0026055   -0.0030199   -0.0008772
 H    2.5893896   12.3111342    2.1855867  0.00   -0.0038965   -0.0000340    0.0012630
 C   -0.0502765   12.8486526    2.7044826  0.00    0.0005622   -0.0038263   -0.0010291
 C   -1.3241302   13.6546151    2.9171165  0.00    0.0005687    0.0002843    0.0013045
 C   -1.3054327   14.9171999    3.4503012  0.00   -0.0004122   -0.0018742   -0.0013513
 C    1.0771553   14.9868347    3.4550598  0.00   -0.0027095    0.0015069    0.0005024
 C    1.1724624   13.7296724    2.9184480  0.00   -0.0004382   -0.0033216   -0.0007502
 C   -0.0150861   11.6921252    3.7169752  0.00    0.0004670   -0.0022715    0.0006380
 H   -0.0262246   12.0665778    4.7424613  0.00   -0.0001497    0.0013743   -0.0011649
 H    0.8885801   11.0941189    3.5828484  0.00   -0.0004392   -0.0020102   -0.0029195
 H   -0.8805316   11.0399554    3.5834001  0.00   -0.0000218   -0.0018648   -0.0035020
 C   -0.0327759   12.2856918    1.2775957  0.00    0.0005601   -0.0006656   -0.0007334
 H   -0.8912327   11.6362230    1.1042871  0.00    0.0013731   -0.0031606    0.0013851
 H    0.8637101   11.6895579    1.1051049  0.00   -0.0017069   -0.0030054    0.0011746
 H   -0.0569222   13.0894236    0.5395348  0.00    0.0000066   -0.0012182   -0.0010542
 C   -5.1315174   13.3106254    2.4288437  0.00    0.0005057    0.0009570    0.0001590
 C   -6.0187643   13.2939236    3.6789058  0.00    0.0006702   -0.0000320   -0.0009032
 H   -5.5772904   12.6776653    4.4658512  0.00   -0.0025197    0.0007157   -0.0004097
 H   -7.0017277   12.8828242    3.4356599  0.00    0.0019425   -0.0001816    0.0013838
 H   -6.1728860   14.2974977    4.0809412  0.00   -0.0022041   -0.0021774    0.0014054
 C   -5.7790298   14.1994628    1.3603130  0.00    0.0008726   -0.0000007    0.0002786
 H   -5.9095828   15.2258510    1.7101261  0.00   -0.0013494    0.0004735   -0.0024985
 H   -6.7665339   13.8119663    1.0971749  0.00    0.0026923    0.0003652   -0.0002719
 H   -5.1719436   14.2252792    0.4520224  0.00   -0.0021000    0.0015892   -0.0006073
 C   -5.0496235   11.8877104    1.8821279  0.00   -0.0005506    0.0012766    0.0002657
 H   -4.4604392   11.8364011    0.9631125  0.00   -0.0015195   -0.0001238    0.0000266
 H   -6.0542241   11.5312428    1.6454435  0.00   -0.0002381    0.0024556    0.0008156
 H   -4.6198275   11.1947362    2.6097913  0.00   -0.0015534    0.0006367    0.0001657
 C    4.9952587   13.6143072    2.4410728  0.00   -0.0022393    0.0010212    0.0005670
 C    5.6090096   14.5551388    1.3977590  0.00   -0.0008136   -0.0005724   -0.0000250
 H    6.6171362   14.2219492    1.1387609  0.00   -0.0023464    0.0001998   -0.0007341
 H    5.6864192   15.5793764    1.7689956  0.00    0.0012212    0.0004649   -0.0022218
 H    5.0111745   14.5693087    0.4831062  0.00    0.0021369    0.0017621   -0.0009593
 C    5.8651571   13.6220605    3.7035475  0.00   -0.0003276   -0.0003884   -0.0008365
 H    5.4488366   12.9653226    4.4711723  0.00    0.0022779    0.0007896   -0.0001287
 H    5.9553296   14.6241365    4.1282635  0.00    0.0018523   -0.0015074    0.0011884
 H    6.8732347   13.2726217    3.4666975  0.00   -0.0013751   -0.0003988    0.0016247
 C    4.9964817   12.1993457    1.8682311  0.00    0.0007952    0.0011603    0.0000329
 H    4.6007283   11.4701135    2.5795879  0.00    0.0020209    0.0013975   -0.0000917
 H    6.0210450   11.9034009    1.6339047  0.00    0.0005578    0.0020784    0.0005230
 H    4.4173987   12.1326654    0.9437517  0.00    0.0020563   -0.0000525    0.0001942
 C   -3.1629206   17.9845728    4.2653255  0.00   -0.0005591   -0.0001493   -0.0007185
 C   -3.9349993   18.1642468    5.4371213  0.00   -0.0014541   -0.0015846    0.0001394
 C   -4.8632270   19.2002457    5.4695573  0.00   -0.0002855    0.0006669    0.0018222
 H   -5.4649737   19.3421912    6.3595293  0.00   -0.0022034    0.0005766   -0.0013891
 C   -5.0432730   20.0411714    4.3888785  0.00    0.0035151    0.0035299    0.0027689
 H   -5.7790706   20.8358006    4.4343247  0.00    0.0030472   -0.0002331    0.0002315
 C   -4.2820829   19.8666887    3.2475488  0.00    0.0028653    0.0002219    0.0016548
 H   -4.4327862   20.5314653    2.4061336  0.00   -0.0018314   -0.0004924    0.0006406
 C   -3.3367331   18.8512863    3.1558359  0.00   -0.0015671    0.0007126    0.0008425
 C   -2.5828603   18.6718572    1.8534645  0.00   -0.0014535    0.0022903   -0.0011217
 H   -1.6762605   18.0871919    2.0613371  0.00   -0.0015932    0.0013706   -0.0002288
 C   -3.4096954   17.8654120    0.8491708  0.00    0.0006537   -0.0019922    0.0004587
 H   -3.6729868   16.8812017    1.2362229  0.00    0.0000850   -0.0012821    0.0015247
 H   -2.8506705   17.7276567   -0.0793146  0.00    0.0008343    0.0006999   -0.0014153
 H   -4.3342580   18.3970274    0.6085579  0.00    0.0013970   -0.0002135    0.0019606
 C   -2.1606114   19.9967616    1.2253247  0.00   -0.0000636    0.0011638   -0.0003455
 H   -3.0193409   20.5551840    0.8481162  0.00   -0.0046087   -0.0023266    0.0019017
 H   -1.5047695   19.8147650    0.3727935  0.00   -0.0011551   -0.0013118   -0.0018626
 H   -1.6322435   20.6428925    1.9302236  0.00    0.0000333    0.0025138    0.0013449
 C   -3.8341733   17.2457638    6.6347562  0.00   -0.0023427    0.0009968    0.0007097
 H   -2.9560775   16.6122672    6.4940362  0.00   -0.0029079    0.0006035    0.0013197
 C   -5.0509239   16.3235735    6.7234297  0.00   -0.0004354   -0.0012295   -0.0009421
 H   -5.9732108   16.9008402    6.8274218  0.00    0.0009164    0.0002435   -0.0000418
 H   -4.9674384   15.6697197    7.5948632  0.00   -0.0011444   -0.0005495    0.0000480
 H   -5.1417950   15.6909253    5.8399549  0.00   -0.0012268    0.0010624   -0.0021041
 C   -3.6701627   18.0158759    7.9446994  0.00    0.0000111    0.0001150    0.0002903
 H   -2.8648203   18.7535343    7.8972573  0.00    0.0005035   -0.0001290   -0.0011705
 H   -3.4491476   17.3268082    8.7632164  0.00   -0.0017046   -0.0020415   -0.0014594
 H   -4.5825196   18.5514897    8.2159562  0.00   -0.0038447   -0.0005311   -0.0045380
 C    2.7300407   18.1619666    4.2799585  0.00    0.0004972   -0.0010401    0.0008973
 C    2.8660278   19.0000725    3.1454211  0.00   -0.0003221   -0.0003904   -0.0018418
 C    3.7121322   20.1001314    3.2268632  0.00   -0.0009947    0.0013525    0.0023015
 H    3.8322519   20.7440123    2.3635225  0.00    0.0015294   -0.0012708    0.0013828
 C    4.4126930   20.3832920    4.3850504  0.00   -0.0061605    0.0005873    0.0024960
 H    5.0692754   21.2445826    4.4259926  0.00   -0.0009198    0.0010485   -0.0001824
 C    4.2789252   19.5610984    5.4877661  0.00   -0.0010357    0.0014659   -0.0006002
 H    4.8406291   19.7838224    6.3871974  0.00    0.0021154    0.0008336   -0.0011311
 C    3.4532171   18.4413741    5.4635484  0.00    0.0020706   -0.0001611    0.0004260
 C    3.4208040   17.5331601    6.6727146  0.00    0.0025830    0.0015859   -0.0001595
 H    2.5923667   16.8343848    6.5400258  0.00    0.0025586    0.0011434    0.0017103
 C    4.7032677   16.7036944    6.7584251  0.00    0.0014492   -0.0005347    0.0000098
 H    4.8349379   16.0753296    5.8767716  0.00    0.0008237    0.0011210   -0.0020509
 H    4.6743534   16.0496611    7.6331308  0.00    0.0006879   -0.0002607    0.0015833
 H    5.5806159   17.3487736    6.8522443  0.00   -0.0004509    0.0003248    0.0011861
 C    3.2042083   18.2970608    7.9778055  0.00    0.0003214    0.0003312    0.0001683
 H    4.0723777   18.9048061    8.2419434  0.00    0.0040852   -0.0008066   -0.0046999
 H    3.0421048   17.5979879    8.8015512  0.00    0.0015867   -0.0017468   -0.0011922
 H    2.3422217   18.9678405    7.9302868  0.00   -0.0000926    0.0004057   -0.0012057
 C    2.1737482   18.7096288    1.8304914  0.00    0.0009085    0.0016695   -0.0007884
 H    1.4245664   17.9288064    2.0052101  0.00    0.0001368   -0.0010593    0.0000479
 C    1.4605430   19.9354634    1.2684101  0.00    0.0005699    0.0003525   -0.0005059
 H    0.7679960   20.3775032    1.9894754  0.00   -0.0008160    0.0011586    0.0004012
 H    0.8935004   19.6662143    0.3755806  0.00    0.0017303   -0.0007902   -0.0019736
 H    2.1665201   20.7154748    0.9773481  0.00    0.0044354    0.0003736    0.0002411
 C    3.1626232   18.1576695    0.8023621  0.00   -0.0000381   -0.0013473   -0.0002083
 H    3.9441282   18.8908483    0.5870189  0.00   -0.0008181    0.0002925    0.0013247
 H    2.6488778   17.9308509   -0.1346891  0.00   -0.0006399   -0.0006901   -0.0010637
 H    3.6409800   17.2437154    1.1557748  0.00    0.0009747   -0.0011753    0.0017522
 C   -0.1890259   16.9676591    7.1168342  0.00   -0.0003882    0.0025448   -0.0035959
 H    0.6644154   17.5067949    7.5631653  0.00   -0.0005875    0.0003405   -0.0013997
 H   -1.0921511   17.4325773    7.5480190  0.00    0.0007206    0.0011545   -0.0008990
 C    1.4376205   14.3298192    7.2676514  0.00    0.0012349   -0.0006992    0.0008460
 H    1.5531587   14.2894510    6.1814335  0.00   -0.0028269    0.0015559   -0.0001033
 H    1.4123739   13.2991904    7.6339961  0.00    0.0009479   -0.0012922    0.0001500
 H    2.3355178   14.7939226    7.6828441  0.00    0.0007340    0.0014411   -0.0001971
 C   -0.1306836   15.2924480    9.6906895  0.00    0.0000845   -0.0012518    0.0004735
 H    0.7315792   15.8470418   10.0705821  0.00   -0.0012704   -0.0009532    0.0024814
 H   -0.0948989   14.2875787   10.1208560  0.00    0.0001067    0.0008052    0.0057128
 H   -1.0324192   15.7827966   10.0673007  0.00    0.0014095   -0.0008705    0.0017585
 C   -1.6136251   14.2194171    7.2592246  0.00   -0.0012344   -0.0005340    0.0003888
 H   -2.5442606   14.6167767    7.6716318  0.00   -0.0005570    0.0010248   -0.0001575
 H   -1.5161358   13.1921851    7.6228247  0.00   -0.0004017   -0.0017749    0.0002128
 H   -1.7213589   14.1744755    6.1723745  0.00    0.0023842    0.0010641    0.0000075
129
 Energy =   -2867.2894244080
 O   -0.1327452   15.5633709    3.8305569  0.00   -0.0013283    0.0017011    0.0028664
Th   -0.2008814   17.7705403    4.8672925  0.00    0.0005123   -0.0025068   -0.0032207
Si   -0.1236823   15.2154557    7.8178665  0.00    0.0002388   -0.0034562   -0.0003532
 N   -2.1736608   16.9611402    4.1976714  0.00   -0.0012842   -0.0011925   -0.0016264
 N    1.8202717   17.0678077    4.2273442  0.00    0.0005107    0.0009345   -0.0010678
 C   -2.5895174   13.1481741    2.5969040  0.00    0.0004788    0.0007781    0.0003863
 H   -2.6508251   12.1509221    2.1855656  0.00    0.0029069   -0.0006976    0.0013124
 C   -3.7572122   13.8740866    2.7880330  0.00    0.0006958    0.0018702    0.0019386
 C   -3.6661855   15.1660927    3.3207348  0.00   -0.0012579    0.0010725   -0.0008691
 H   -4.5566535   15.7656281    3.4653200  0.00   -0.0005991    0.0044191    0.0020952
 C   -2.4368995   15.7053504    3.6597260  0.00    0.0021535   -0.0037155   -0.0001036
 C    2.1597347   15.8383156    3.6740003  0.00    0.0056602   -0.0051202   -0.0022540
 C    3.4197853   15.3783661    3.3308213  0.00   -0.0079988    0.0018232    0.0008563
 H    4.2726301   16.0283684    3.4834390  0.00    0.0012638    0.0054360    0.0025497
 C    3.5884348   14.0962266    2.7932032  0.00    0.0011516    0.0000268    0.0009664
 C    2.4669165   13.3016034    2.5988382  0.00   -0.0045829    0.0036309    0.0021640
 H    2.5889168   12.3110076    2.1854091  0.00   -0.0022870   -0.0032713   -0.0004105
 C   -0.0501589   12.8483570    2.7042498  0.00   -0.0019781   -0.0036427   -0.0010787
 C   -1.3240977   13.6545917    2.9168602  0.00    0.0024984   -0.0044144    0.0002303
 C   -1.3054697   14.9169848    3.4500736  0.00    0.0027120    0.0025174    0.0001689
 C    1.0771667   14.9867434    3.4548049  0.00   -0.0034934   -0.0017313   -0.0006818
 C    1.1724306   13.7294675    2.9180536  0.00    0.0010531   -0.0013839    0.0010976
 C   -0.0150436   11.6917479    3.7171992  0.00   -0.0005454    0.0003302   -0.0011239
 H   -0.0262247   12.0668014    4.7427022  0.00   -0.0000364   -0.0004977   -0.0045546
 H    0.8886711   11.0936605    3.5830588  0.00   -0.0015440   -0.0011142   -0.0022379
 H   -0.8806347   11.0395143    3.5835843  0.00    0.0019417   -0.0001782   -0.0027570
 C   -0.0327104   12.2855509    1.2770968  0.00   -0.0006026   -0.0007444   -0.0002005
 H   -0.8910949   11.6358788    1.1038146  0.00    0.0016281   -0.0022183    0.0014765
 H    0.8636391   11.6892388    1.1045740  0.00   -0.0010662   -0.0026969    0.0011938
 H   -0.0568774   13.0892611    0.5387307  0.00    0.0000562   -0.0030554    0.0019399
 C   -5.1310402   13.3105925    2.4282904  0.00    0.0002470   -0.0012181   -0.0006752
 C   -6.0185146   13.2926534    3.6780058  0.00   -0.0000266    0.0009317    0.0008234
 H   -5.5769250   12.6762333    4.4646302  0.00   -0.0010244   -0.0000296    0.0006155
 H   -7.0009182   12.8806545    3.4345584  0.00    0.0000572   -0.0005495    0.0000640
 H   -6.1739591   14.2955421    4.0810540  0.00   -0.0015516   -0.0002853    0.0008753
 C   -5.7786418   14.1985714    1.3592326  0.00    0.0004090    0.0015816   -0.0000864
 H   -5.9102044   15.2252637    1.7077400  0.00   -0.0007391    0.0004245   -0.0009598
 H   -6.7656172   13.8102199    1.0958709  0.00    0.0005130   -0.0002801   -0.0001745
 H   -5.1715884   14.2240494    0.4510023  0.00   -0.0004847    0.0015788   -0.0012093
 C   -5.0483176   11.8878097    1.8816886  0.00   -0.0014355    0.0004888   -0.0000542
 H   -4.4589882   11.8369116    0.9628421  0.00   -0.0009926   -0.0007367   -0.0010860
 H   -6.0527398   11.5310831    1.6449201  0.00   -0.0007949    0.0012904    0.0003695
 H   -4.6182914   11.1951977    2.6095063  0.00   -0.0016204   -0.0000548    0.0002098
 C    4.9946401   13.6141854    2.4405862  0.00    0.0005362   -0.0009169   -0.0006204
 C    5.6086431   14.5540492    1.3965829  0.00   -0.0003932    0.0009165    0.0002650
 H    6.6163132   14.2198782    1.1374097  0.00   -0.0007902   -0.0001079   -0.0005105
 H    5.6870860   15.5786732    1.7665292  0.00    0.0007095    0.0003098   -0.0008989
 H    5.0108725   14.5678936    0.4819562  0.00    0.0006437    0.0015792   -0.0013433
 C    5.8650048   13.6207487    3.7026601  0.00    0.0000693    0.0008173    0.0002560
 H    5.4485500   12.9639311    4.4700255  0.00    0.0010084    0.0000569    0.0007838
 H    5.9565203   14.6222735    4.1282497  0.00    0.0012638    0.0000029    0.0007620
 H    6.8725727   13.2703272    3.4655074  0.00    0.0000565   -0.0004641    0.0005226
 C    4.9951131   12.1992565    1.8679041  0.00    0.0015432    0.0007350   -0.0000245
 H    4.5991670   11.4704283    2.5794857  0.00    0.0020662    0.0003910    0.0001052
 H    6.0195532   11.9030919    1.6335000  0.00    0.0007887    0.0011312    0.0001496
 H    4.4158291   12.1328275    0.9436341  0.00    0.0015913   -0.0005769   -0.0010321
 C   -3.1618762   17.9850487    4.2654406  0.00    0.0001707   -0.0011067    0.0030834
 C   -3.9336309   18.1646436    5.4375411  0.00   -0.0061762    0.0022396   -0.0017905
 C   -4.8606963   19.2018968    5.4707751  0.00    0.0040004    0.0005237    0.0016397
 H   -5.4622794   19.3440936    6.3607095  0.00   -0.0028127    0.0001170    0.0002606
 C   -5.0389495   20.0444810    4.3911597  0.00    0.0003801    0.0009898   -0.0003137
 H   -5.7739653   20.8399027    4.4370214  0.00    0.0043767   -0.0005481    0.0005956
 C   -4.2785375   19.8692843    3.2493283  0.00    0.0011533    0.0044309    0.0044445
 H   -4.4288990   20.5349033    2.4085583  0.00   -0.0008771   -0.0004165   -0.0000402
 C   -3.3344606   18.8529467    3.1568360  0.00   -0.0031902    0.0014143   -0.0044084
 C   -2.5811420   18.6736462    1.8539720  0.00   -0.0014872    0.0003731    0.0024379
 H   -1.6737602   18.0906350    2.0622506  0.00    0.0016319    0.0000542   -0.0000474
 C   -3.4065563   17.8641572    0.8508603  0.00    0.0017704   -0.0012001    0.0009578
 H   -3.6683220   16.8801199    1.2396410  0.00    0.0011649    0.0001071   -0.0000704
 H   -2.8469704   17.7262804   -0.0774131  0.00   -0.0008272   -0.0000281    0.0002908
 H   -4.3319334   18.3938616    0.6094713  0.00    0.0003121    0.0003338    0.0014001
 C   -2.1609109   19.9983486    1.2241733  0.00   -0.0004780   -0.0004216   -0.0017887
 H   -3.0207485   20.5543302    0.8458075  0.00   -0.0033918   -0.0016201    0.0015170
 H   -1.5045114   19.8155431    0.3721229  0.00   -0.0023998    0.0004197   -0.0009943
 H   -1.6337112   20.6465730    1.9281034  0.00   -0.0007298    0.0016226    0.0007241
 C   -3.8343126   17.2453878    6.6345387  0.00    0.0032286   -0.0026661   -0.0026949
 H   -2.9566646   16.6113015    6.4935976  0.00   -0.0017625    0.0009896    0.0012525
 C   -5.0510335   16.3231120    6.7216855  0.00   -0.0007840   -0.0007347   -0.0006167
 H   -5.9733376   16.9002073    6.8254970  0.00   -0.0007232    0.0009260    0.0005841
 H   -4.9678553   15.6685748    7.5926765  0.00   -0.0016757   -0.0003725   -0.0006026
 H   -5.1413624   15.6912536    5.8375261  0.00   -0.0007153    0.0014493   -0.0011017
 C   -3.6697806   18.0141191    7.9450658  0.00   -0.0013496   -0.0001640    0.0016051
 H   -2.8646742   18.7521502    7.8984682  0.00   -0.0000894   -0.0009023   -0.0022432
 H   -3.4479588   17.3237905    8.7623064  0.00   -0.0026255   -0.0011203   -0.0004276
 H   -4.5822747   18.5490300    8.2172901  0.00   -0.0035390   -0.0006567   -0.0035187
 C    2.7289388   18.1622566    4.2799774  0.00   -0.0007036   -0.0006577    0.0020947
 C    2.8638235   19.0009068    3.1456917  0.00    0.0023108   -0.0008891   -0.0017048
 C    3.7088267   20.1016593    3.2277610  0.00   -0.0020232    0.0043059    0.0021673
 H    3.8288092   20.7456658    2.3646598  0.00    0.0012024    0.0002779   -0.0005831
 C    4.4081439   20.3860432    4.3863712  0.00   -0.0005492   -0.0000526   -0.0005140
 H    5.0643200   21.2478514    4.4273338  0.00   -0.0036339   -0.0005182    0.0001181
 C    4.2758305   19.5629529    5.4884285  0.00   -0.0026294    0.0023116    0.0033863
 H    4.8372257   19.7862269    6.3879427  0.00    0.0018311    0.0003106   -0.0009959
 C    3.4514432   18.4422208    5.4638825  0.00    0.0049743    0.0001290   -0.0003872
 C    3.4206016   17.5334866    6.6727444  0.00   -0.0009389   -0.0004359   -0.0035424
 H    2.5927174   16.8341648    6.5400622  0.00    0.0007947    0.0005672    0.0013026
 C    4.7032440   16.7041193    6.7570486  0.00    0.0006407    0.0008315   -0.0000976
 H    4.8342511   16.0765466    5.8746610  0.00    0.0009351    0.0014282   -0.0007187
 H    4.6746920   16.0494712    7.6313576  0.00    0.0013683   -0.0000209    0.0006833
 H    5.5804553   17.3493205    6.8507271  0.00    0.0006633    0.0003387    0.0015333
 C    3.2037148   18.2961680    7.9783546  0.00    0.0026113    0.0000587   -0.0000922
 H    4.0716870   18.9040808    8.2426213  0.00    0.0043502   -0.0006633   -0.0033242
 H    3.0421210   17.5959195    8.8011184  0.00    0.0020686   -0.0013773    0.0005175
 H    2.3414204   18.9665536    7.9319877  0.00   -0.0006950    0.0004906   -0.0022230
 C    2.1721048   18.7101360    1.8304840  0.00    0.0018711    0.0000857    0.0031501
 H    1.4222315   17.9302317    2.0060199  0.00   -0.0016447   -0.0014649   -0.0007080
 C    1.4604284   19.9360616    1.2668913  0.00    0.0010226   -0.0011111   -0.0020214
 H    0.7688925   20.3804213    1.9874618  0.00   -0.0003786    0.0013827    0.0005784
 H    0.8924547   19.6654561    0.3751028  0.00    0.0014551    0.0003927   -0.0028721
 H    2.1675116   20.7142576    0.9735918  0.00    0.0035997    0.0004795    0.0004481
 C    3.1606164   18.1553782    0.8034219  0.00   -0.0011761   -0.0009909    0.0012578
 H    3.9435010   18.8869690    0.5878270  0.00   -0.0005809    0.0007311    0.0009215
 H    2.6465153   17.9287371   -0.1335593  0.00    0.0011333   -0.0013861   -0.0002844
 H    3.6371845   17.2409979    1.1584219  0.00   -0.0000666   -0.0001283   -0.0000609
 C   -0.1890788   16.9671103    7.1157494  0.00   -0.0013081    0.0016238   -0.0012596
 H    0.6641174   17.5063361    7.5622698  0.00   -0.0000064    0.0019431   -0.0010106
 H   -1.0925106   17.4313455    7.5470049  0.00    0.0007818    0.0028314   -0.0011364
 C    1.4375255   14.3297300    7.2699645  0.00    0.0008664    0.0002561   -0.0005854
 H    1.5526452   14.2897306    6.1836434  0.00   -0.0018022    0.0007625    0.0004405
 H    1.4124622   13.2990577    7.6362304  0.00    0.0008796   -0.0005433    0.0001153
 H    2.3352536   14.7942951    7.6850328  0.00    0.0008997    0.0008237   -0.0004732
 C   -0.1308949   15.2951531    9.6916402  0.00    0.0000520   -0.0017633    0.0011251
 H    0.7313451   15.8498418   10.0714060  0.00   -0.0007860   -0.0012730    0.0022362
 H   -0.0951207   14.2902787   10.1218591  0.00    0.0000571    0.0014437    0.0068326
 H   -1.0325246   15.7856945   10.0682318  0.00    0.0010307   -0.0012935    0.0013731
 C   -1.6135431   14.2194105    7.2612916  0.00   -0.0011505   -0.0002029   -0.0010452
 H   -2.5442814   14.6167367    7.6735522  0.00   -0.0002731    0.0005541   -0.0003973
 H   -1.5157167   13.1921706    7.6248104  0.00   -0.0007745   -0.0013127    0.0000783
 H   -1.7208371   14.1747540    6.1743281  0.00    0.0015757    0.0003306    0.0007607
129
 Energy =   -2867.2894312120
 O   -0.1328644   15.5631958    3.8304260  0.00    0.0053249    0.0016139    0.0025082
Th   -0.2009098   17.7708235    4.8667799  0.00    0.0005805   -0.0045585   -0.0032015
Si   -0.1237832   15.2161564    7.8191714  0.00    0.0002928   -0.0034892    0.0000319
 N   -2.1734037   16.9611214    4.1970171  0.00   -0.0010891    0.0003520   -0.0004826
 N    1.8199837   17.0675503    4.2270680  0.00    0.0018831    0.0024797   -0.0004778
 C   -2.5892261   13.1479128    2.5963991  0.00    0.0001537    0.0054920    0.0031312
 H   -2.6498672   12.1507030    2.1851588  0.00    0.0007800   -0.0019713    0.0004914
 C   -3.7570094   13.8739571    2.7876198  0.00    0.0018335    0.0004381    0.0005286
 C   -3.6662278   15.1659901    3.3202820  0.00    0.0033863    0.0010608    0.0000783
 H   -4.5565438   15.7657138    3.4648064  0.00   -0.0017290    0.0039334    0.0017390
 C   -2.4368160   15.7052964    3.6593433  0.00    0.0013148   -0.0059522   -0.0010876
 C    2.1596942   15.8380274    3.6737212  0.00    0.0018027   -0.0008816   -0.0005896
 C    3.4195406   15.3781947    3.3305919  0.00   -0.0002126    0.0005355    0.0000774
 H    4.2724450   16.0284158    3.4833738  0.00   -0.0005321    0.0030031    0.0016416
 C    3.5881897   14.0959866    2.7928743  0.00    0.0013266    0.0018946    0.0005253
 C    2.4666580   13.3014941    2.5984571  0.00   -0.0041442   -0.0012124    0.0008356
 H    2.5880578   12.3106113    2.1849976  0.00   -0.0010278    0.0006086    0.0009107
 C   -0.0501110   12.8477805    2.7038972  0.00   -0.0026223   -0.0007730   -0.0003230
 C   -1.3238878   13.6542869    2.9165497  0.00    0.0017745   -0.0009151    0.0015523
 C   -1.3052412   14.9168856    3.4498993  0.00   -0.0026473   -0.0022317   -0.0023645
 C    1.0772018   14.9864277    3.4544832  0.00   -0.0097195    0.0013718    0.0017199
 C    1.1722665   13.7292477    2.9177393  0.00    0.0010319   -0.0038044    0.0004646
 C   -0.0150711   11.6910714    3.7169666  0.00    0.0015490    0.0017557   -0.0018647
 H   -0.0262145   12.0661895    4.7425543  0.00   -0.0001379   -0.0014556   -0.0064516
 H    0.8886035   11.0928155    3.5826585  0.00   -0.0022461    0.0000842   -0.0016718
 H   -0.8805181   11.0387655    3.5831287  0.00    0.0010166    0.0000338   -0.0023659
 C   -0.0327285   12.2849059    1.2766725  0.00    0.0021942   -0.0015612    0.0007467
 H   -0.8907668   11.6348926    1.1036980  0.00   -0.0007339   -0.0024717    0.0010248
 H    0.8634740   11.6882166    1.1043668  0.00   -0.0009525   -0.0015436    0.0012473
 H   -0.0568148   13.0881968    0.5377501  0.00   -0.0001619   -0.0033368    0.0035950
 C   -5.1305614   13.3102532    2.4275446  0.00    0.0000573   -0.0012279   -0.0005565
 C   -6.0183401   13.2910578    3.6769971  0.00   -0.0006283    0.0009832    0.0017500
 H   -5.5764655   12.6745656    4.4633485  0.00   -0.0001044   -0.0003611    0.0009402
 H   -7.0001187   12.8778636    3.4332182  0.00   -0.0008226   -0.0000170   -0.0005109
 H   -6.1752109   14.2932573    4.0810545  0.00   -0.0009242    0.0013705   -0.0000625
 C   -5.7782104   14.1974905    1.3578793  0.00   -0.0003610    0.0011894   -0.0006834
 H   -5.9108335   15.2244597    1.7050577  0.00   -0.0003614    0.0005836    0.0009695
 H   -6.7646147   13.8079960    1.0941772  0.00   -0.0004920    0.0002738    0.0001153
 H   -5.1710116   14.2227185    0.4497645  0.00    0.0005612    0.0013910   -0.0012106
 C   -5.0472280   11.8876229    1.8810012  0.00   -0.0020526   -0.0002930   -0.0008683
 H   -4.4578403   11.8369854    0.9622224  0.00   -0.0008042   -0.0011285   -0.0016335
 H   -6.0516622   11.5309843    1.6442339  0.00   -0.0005270    0.0000774   -0.0000014
 H   -4.6170790   11.1951979    2.6088689  0.00   -0.0017219   -0.0006158    0.0003504
 C    4.9941166   13.6137292    2.4398774  0.00    0.0010994   -0.0008514   -0.0004963
 C    5.6082452   14.5527456    1.3951515  0.00    0.0002441    0.0001714   -0.0010417
 H    6.6154076   14.2172949    1.1356130  0.00   -0.0003915    0.0007734    0.0000394
 H    5.6877880   15.5777048    1.7637255  0.00    0.0004495    0.0010264    0.0011620
 H    5.0103613   14.5663374    0.4805625  0.00   -0.0000853    0.0012176   -0.0006263
 C    5.8649270   13.6191406    3.7016416  0.00    0.0006932   -0.0000271    0.0011333
 H    5.4481626   12.9623079    4.4688247  0.00    0.0003948    0.0000437    0.0006451
 H    5.9578928   14.6200654    4.1281102  0.00    0.0007580    0.0020351    0.0001557
 H    6.8719543   13.2673921    3.4641137  0.00    0.0001857    0.0004946    0.0001543
 C    4.9940374   12.1988968    1.8673604  0.00    0.0014094   -0.0005473   -0.0009452
 H    4.5980324   11.4702914    2.5790938  0.00    0.0022885   -0.0001390    0.0001141
 H    6.0184811   11.9028693    1.6329514  0.00    0.0007674   -0.0001196   -0.0002647
 H    4.4146246   12.1325096    0.9431849  0.00    0.0016824   -0.0007468   -0.0012730
 C   -3.1606514   17.9858438    4.2656386  0.00   -0.0021610    0.0004583    0.0058844
 C   -3.9323109   18.1654684    5.4380485  0.00   -0.0055837    0.0033398   -0.0054532
 C   -4.8578433   19.2041361    5.4722887  0.00    0.0059728    0.0008483    0.0010193
 H   -5.4593660   19.3464744    6.3621470  0.00   -0.0029990   -0.0003377    0.0016283
 C   -5.0343768   20.0484176    4.3937497  0.00   -0.0016317   -0.0017541   -0.0012944
 H   -5.7680807   20.8449792    4.4402558  0.00    0.0039884   -0.0005307    0.0008625
 C   -4.2745315   19.8728775    3.2516269  0.00    0.0001065    0.0057101    0.0047294
 H   -4.4243083   20.5393018    2.4115297  0.00   -0.0004917    0.0008773   -0.0016326
 C   -3.3320408   18.8553222    3.1579765  0.00   -0.0028785   -0.0017794   -0.0048608
 C   -2.5791226   18.6758641    1.8549087  0.00   -0.0019523    0.0013544    0.0012175
 H   -1.6707287   18.0948249    2.0636445  0.00    0.0045744   -0.0013966    0.0005729
 C   -3.4027709   17.8628516    0.8530856  0.00    0.0012251   -0.0017477    0.0027566
 H   -3.6625077   16.8789743    1.2439375  0.00    0.0016475    0.0015048   -0.0020042
 H   -2.8427419   17.7246392   -0.0749119  0.00   -0.0012771   -0.0003882    0.0009143
 H   -4.3292757   18.3900239    0.6107189  0.00   -0.0002567    0.0014135    0.0013735
 C   -2.1613139   20.0003001    1.2227530  0.00   -0.0009341   -0.0028186   -0.0010865
 H   -3.0223265   20.5535779    0.8430019  0.00   -0.0023594   -0.0011051    0.0013775
 H   -1.5043218   19.8164350    0.3713446  0.00   -0.0030789    0.0020557   -0.0011170
 H   -1.6354241   20.6510057    1.9254470  0.00   -0.0010023    0.0007811    0.0004780
 C   -3.8342715   17.2450610    6.6340318  0.00    0.0048848   -0.0040695   -0.0017969
 H   -2.9572102   16.6103791    6.4929070  0.00    0.0004034    0.0010549    0.0005910
 C   -5.0511364   16.3228149    6.7195159  0.00   -0.0014148   -0.0001200   -0.0019145
 H   -5.9735770   16.8996985    6.8231089  0.00   -0.0008691    0.0012208    0.0010955
 H   -4.9684493   15.6673299    7.5898302  0.00   -0.0018846   -0.0002273   -0.0006288
 H   -5.1406973   15.6919951    5.8344567  0.00   -0.0008546    0.0016356    0.0003715
 C   -3.6694200   18.0120558    7.9455801  0.00   -0.0014812   -0.0011152    0.0007184
 H   -2.8644954   18.7504285    7.8999712  0.00   -0.0010485   -0.0017351   -0.0029761
 H   -3.4466532   17.3200442    8.7611373  0.00   -0.0038683    0.0003156    0.0010074
 H   -4.5820648   18.5461422    8.2189921  0.00   -0.0029757   -0.0010566   -0.0029252
 C    2.7277052   18.1629432    4.2801070  0.00   -0.0043964   -0.0052113    0.0027052
 C    2.8614066   19.0021604    3.1461994  0.00    0.0036022   -0.0006366   -0.0033065
 C    3.7049014   20.1039254    3.2289158  0.00   -0.0017305    0.0068730   -0.0002797
 H    3.8245783   20.7480461    2.3659126  0.00    0.0006847    0.0010545   -0.0012917
 C    4.4033121   20.3894016    4.3877365  0.00    0.0017751   -0.0034288   -0.0013446
 H    5.0584713   21.2519447    4.4287795  0.00   -0.0037190   -0.0002251    0.0004935
 C    4.2723284   19.5654970    5.4892857  0.00   -0.0035516    0.0019619    0.0044697
 H    4.8335482   19.7892907    6.3887330  0.00    0.0015775   -0.0002164   -0.0000577
 C    3.4495662   18.4434914    5.4642329  0.00    0.0076491    0.0015226    0.0005058
 C    3.4201730   17.5340323    6.6725542  0.00   -0.0001824   -0.0000151   -0.0034596
 H    2.5930084   16.8341697    6.5399371  0.00   -0.0024334   -0.0009217    0.0003979
 C    4.7031601   16.7049374    6.7553641  0.00   -0.0002058    0.0010851   -0.0005608
 H    4.8333121   16.0783284    5.8721102  0.00    0.0016922    0.0013457    0.0005569
 H    4.6751103   16.0494235    7.6291105  0.00    0.0016778    0.0006146   -0.0002863
 H    5.5803915   17.3500969    6.8489710  0.00    0.0006910    0.0005105    0.0016603
 C    3.2032922   18.2951730    7.9790520  0.00    0.0016320   -0.0012104   -0.0004536
 H    4.0710325   18.9031820    8.2437025  0.00    0.0046107   -0.0007473   -0.0023753
 H    3.0421360   17.5932383    8.8005407  0.00    0.0030444    0.0006952    0.0010972
 H    2.3404686   18.9650736    7.9341074  0.00    0.0003707   -0.0000920   -0.0030361
 C    2.1701864   18.7107756    1.8308225  0.00    0.0039945    0.0020783    0.0030264
 H    1.4194726   17.9320230    2.0070992  0.00   -0.0044744   -0.0029235   -0.0005693
 C    1.4603971   19.9368611    1.2650075  0.00   -0.0001007   -0.0037804   -0.0012572
 H    0.7699316   20.3839807    1.9850075  0.00    0.0004393    0.0009966   -0.0000345
 H    0.8913330   19.6645966    0.3743958  0.00    0.0018574    0.0018674   -0.0033715
 H    2.1686587   20.7130383    0.9691700  0.00    0.0030598    0.0005592    0.0008554
 C    3.1581986   18.1527492    0.8049362  0.00   -0.0019984   -0.0008501    0.0020428
 H    3.9427663   18.8823810    0.5889324  0.00   -0.0006598    0.0014364    0.0008225
 H    2.6438969   17.9260822   -0.1320606  0.00    0.0025613   -0.0015103    0.0012410
 H    3.6325410   17.2378609    1.1617613  0.00   -0.0000830    0.0003806   -0.0017024
 C   -0.1892185   16.9669462    7.1148938  0.00   -0.0013452    0.0005760    0.0019344
 H    0.6636979   17.5060174    7.5621281  0.00    0.0001238    0.0029444   -0.0018450
 H   -1.0927936   17.4302782    7.5467515  0.00    0.0005335    0.0044432   -0.0021434
 C    1.4373659   14.3297318    7.2725614  0.00    0.0007449    0.0001874   -0.0004238
 H    1.5521753   14.2898688    6.1862594  0.00   -0.0006835    0.0000035   -0.0004255
 H    1.4123513   13.2990422    7.6389899  0.00    0.0008053    0.0009458   -0.0003224
 H    2.3349344   14.7946692    7.6875762  0.00    0.0010752    0.0003763   -0.0007675
 C   -0.1311309   15.2982195    9.6928092  0.00    0.0000720   -0.0024696    0.0013423
 H    0.7311173   15.8531521   10.0721785  0.00   -0.0005078   -0.0015209    0.0021480
 H   -0.0953753   14.2935505   10.1235912  0.00   -0.0000039    0.0020843    0.0074353
 H   -1.0326846   15.7891143   10.0691082  0.00    0.0008066   -0.0016466    0.0011738
 C   -1.6134119   14.2193921    7.2636148  0.00   -0.0010482   -0.0000056   -0.0013295
 H   -2.5442689   14.6165650    7.6757845  0.00   -0.0000199    0.0002796   -0.0006040
 H   -1.5150683   13.1922246    7.6272498  0.00   -0.0012004   -0.0008715   -0.0001524
 H   -1.7203469   14.1748164    6.1766476  0.00    0.0007118   -0.0003700    0.0003137
129
 Energy =   -2867.2894361550
 O   -0.1327705   15.5633537    3.8309294  0.00    0.0001135   -0.0001661    0.0007311
Th   -0.2009073   17.7707343    4.8666942  0.00    0.0004232   -0.0017417   -0.0018991
Si   -0.1237386   15.2155639    7.8188205  0.00    0.0004505   -0.0019883    0.0015206
 N   -2.1737320   16.9613355    4.1971114  0.00   -0.0006860   -0.0025508   -0.0008100
 N    1.8202145   17.0678266    4.2268789  0.00    0.0023654    0.0018566    0.0013195
 C   -2.5892058   13.1481371    2.5968371  0.00   -0.0008691    0.0025727    0.0022552
 H   -2.6493173   12.1506764    2.1857896  0.00   -0.0012300    0.0000080    0.0008331
 C   -3.7570830   13.8741614    2.7880720  0.00    0.0009995    0.0019287    0.0001809
 C   -3.6663097   15.1663775    3.3205360  0.00    0.0041347   -0.0018294   -0.0000887
 H   -4.5563002   15.7666654    3.4655414  0.00   -0.0007776    0.0016513    0.0006025
 C   -2.4367223   15.7052108    3.6594754  0.00   -0.0005537   -0.0002323    0.0003316
 C    2.1595991   15.8380677    3.6738073  0.00   -0.0005681   -0.0010071   -0.0005232
 C    3.4194893   15.3785028    3.3308139  0.00   -0.0005878   -0.0001880    0.0003762
 H    4.2718992   16.0293652    3.4840789  0.00   -0.0002541    0.0008764    0.0004774
 C    3.5882842   14.0962232    2.7933119  0.00   -0.0017776   -0.0008344   -0.0010212
 C    2.4665227   13.3015461    2.5988039  0.00    0.0008001    0.0020221    0.0016590
 H    2.5874764   12.3106084    2.1854400  0.00    0.0011227   -0.0000682    0.0002856
 C   -0.0501354   12.8474673    2.7038978  0.00   -0.0020494    0.0015726    0.0003441
 C   -1.3237731   13.6542638    2.9168694  0.00    0.0013114   -0.0011972    0.0005149
 C   -1.3051553   14.9169102    3.4500609  0.00   -0.0011728   -0.0005446   -0.0002175
 C    1.0768924   14.9865266    3.4547245  0.00   -0.0014267   -0.0017989    0.0001913
 C    1.1721447   13.7291094    2.9179778  0.00   -0.0007424    0.0011123    0.0021386
 C   -0.0150761   11.6904626    3.7164282  0.00    0.0009830    0.0012384   -0.0028989
 H   -0.0262514   12.0651752    4.7420598  0.00   -0.0001361   -0.0018827   -0.0047101
 H    0.8883960   11.0921107    3.5815023  0.00   -0.0011042    0.0002841   -0.0008356
 H   -0.8803771   11.0381619    3.5818405  0.00    0.0000684    0.0000347   -0.0012106
 C   -0.0327273   12.2842687    1.2768867  0.00    0.0013963   -0.0023134    0.0007010
 H   -0.8905297   11.6338077    1.1045042  0.00   -0.0018441   -0.0016475    0.0004201
 H    0.8632037   11.6870916    1.1051042  0.00    0.0004947   -0.0008144    0.0008231
 H   -0.0568123   13.0870120    0.5374277  0.00   -0.0001618   -0.0031900    0.0034323
 C   -5.1307857   13.3108063    2.4280311  0.00    0.0002447   -0.0003651   -0.0002668
 C   -6.0185483   13.2917539    3.6775682  0.00   -0.0008358    0.0012774    0.0015737
 H   -5.5770129   12.6751573    4.4639636  0.00    0.0010737   -0.0010408    0.0010639
 H   -7.0003387   12.8786644    3.4338514  0.00   -0.0014930   -0.0001911   -0.0010879
 H   -6.1753934   14.2938103    4.0819308  0.00   -0.0008605    0.0020303   -0.0005599
 C   -5.7783150   14.1982479    1.3583800  0.00   -0.0004857    0.0014393   -0.0005994
 H   -5.9109392   15.2252936    1.7053255  0.00   -0.0004648    0.0002768    0.0016554
 H   -6.7646737   13.8087130    1.0947657  0.00   -0.0013769    0.0001600   -0.0000033
 H   -5.1714536   14.2236094    0.4500566  0.00    0.0014701    0.0005832   -0.0008441
 C   -5.0482989   11.8881556    1.8814733  0.00   -0.0028738   -0.0002653   -0.0011675
 H   -4.4592841   11.8369540    0.9625178  0.00   -0.0002615   -0.0007275   -0.0016890
 H   -6.0531622   11.5324169    1.6450025  0.00    0.0002294   -0.0004340   -0.0000859
 H   -4.6186216   11.1954005    2.6092456  0.00   -0.0011764   -0.0008320    0.0007757
 C    4.9943110   13.6143045    2.4403264  0.00    0.0019134    0.0006863   -0.0001559
 C    5.6083465   14.5535562    1.3956512  0.00    0.0004731    0.0003964   -0.0009538
 H    6.6154746   14.2180908    1.1361705  0.00    0.0004514    0.0006606    0.0001117
 H    5.6878686   15.5785570    1.7640588  0.00    0.0006138    0.0010178    0.0018543
 H    5.0108579   14.5673567    0.4808217  0.00   -0.0011506    0.0003250   -0.0002319
 C    5.8650826   13.6198477    3.7022190  0.00    0.0008842    0.0002398    0.0008106
 H    5.4486453   12.9628905    4.4694120  0.00   -0.0007555   -0.0006623    0.0007277
 H    5.9578915   14.6206282    4.1289872  0.00    0.0007957    0.0027278   -0.0002397
 H    6.8721705   13.2682557    3.4648350  0.00    0.0006025    0.0004862   -0.0004830
 C    4.9952275   12.1995684    1.8677333  0.00    0.0014078   -0.0008801   -0.0012252
 H    4.5996977   11.4706459    2.5793318  0.00    0.0016491   -0.0006574    0.0006019
 H    6.0200317   11.9044537    1.6336552  0.00    0.0003943   -0.0005258   -0.0002933
 H    4.4162759   12.1326348    0.9433366  0.00    0.0009911   -0.0003833   -0.0013319
 C   -3.1616368   17.9855372    4.2655294  0.00   -0.0041545    0.0000209    0.0039917
 C   -3.9337654   18.1650394    5.4377161  0.00   -0.0034426    0.0038262   -0.0053869
 C   -4.8595993   19.2034713    5.4718031  0.00    0.0055803   -0.0000067   -0.0011310
 H   -5.4617822   19.3456730    6.3611815  0.00   -0.0024350   -0.0004691    0.0030646
 C   -5.0362395   20.0474558    4.3930720  0.00    0.0002925   -0.0021725   -0.0004005
 H   -5.7699354   20.8438193    4.4392600  0.00    0.0019885    0.0015594    0.0014138
 C   -4.2764912   19.8717207    3.2510128  0.00   -0.0010626    0.0060182    0.0019496
 H   -4.4272568   20.5373010    2.4103702  0.00    0.0006140    0.0012822   -0.0005549
 C   -3.3338547   18.8544129    3.1574678  0.00    0.0003580   -0.0024678   -0.0035727
 C   -2.5807778   18.6750189    1.8545233  0.00    0.0008533   -0.0006462    0.0026915
 H   -1.6730160   18.0929057    2.0632537  0.00    0.0039411    0.0000038    0.0006422
 C   -3.4045035   17.8633195    0.8518019  0.00    0.0009610   -0.0013336    0.0023528
 H   -3.6648818   16.8792472    1.2416933  0.00    0.0021013    0.0012964   -0.0017751
 H   -2.8444292   17.7258599   -0.0763432  0.00   -0.0015632   -0.0007345    0.0020538
 H   -4.3306290   18.3912489    0.6098469  0.00   -0.0013987    0.0011199    0.0006729
 C   -2.1615698   19.9994671    1.2235483  0.00   -0.0012939   -0.0021110   -0.0018633
 H   -3.0224219   20.5538876    0.8450442  0.00   -0.0011123   -0.0008665    0.0004593
 H   -1.5052072   19.8155228    0.3715821  0.00   -0.0037250    0.0029080   -0.0000880
 H   -1.6346466   20.6489106    1.9267419  0.00   -0.0018980    0.0004376   -0.0007823
 C   -3.8351048   17.2453648    6.6340658  0.00    0.0053461   -0.0058769   -0.0011958
 H   -2.9578694   16.6108665    6.4932185  0.00    0.0010358    0.0009776   -0.0000800
 C   -5.0514764   16.3226474    6.7205939  0.00   -0.0025393    0.0010299   -0.0019092
 H   -5.9740211   16.8993361    6.8244966  0.00   -0.0011029    0.0009405    0.0009180
 H   -4.9681820   15.6676118    7.5912058  0.00   -0.0017769   -0.0005377   -0.0012025
 H   -5.1413055   15.6916227    5.8357249  0.00   -0.0008506    0.0011586    0.0003296
 C   -3.6701479   18.0132237    7.9450111  0.00   -0.0026398   -0.0008409   -0.0001525
 H   -2.8646426   18.7509938    7.8988984  0.00   -0.0020133   -0.0016823   -0.0022913
 H   -3.4480930   17.3215135    8.7609911  0.00   -0.0038994    0.0007061    0.0016746
 H   -4.5828770   18.5479722    8.2171314  0.00   -0.0010108   -0.0013847   -0.0013084
 C    2.7286953   18.1627304    4.2800494  0.00   -0.0021576   -0.0040865   -0.0001575
 C    2.8630000   19.0016992    3.1459410  0.00    0.0010103   -0.0012620   -0.0017037
 C    3.7065550   20.1033854    3.2287359  0.00   -0.0013545    0.0054530   -0.0035131
 H    3.8269961   20.7470562    2.3654631  0.00   -0.0002058    0.0012785   -0.0004955
 C    4.4050370   20.3886864    4.3874261  0.00    0.0021786   -0.0001949   -0.0022071
 H    5.0603455   21.2511264    4.4282128  0.00   -0.0036336   -0.0000483    0.0010442
 C    4.2741859   19.5648156    5.4888593  0.00   -0.0014117    0.0010499    0.0058908
 H    4.8363177   19.7882596    6.3878667  0.00    0.0002738   -0.0003541    0.0003136
 C    3.4512609   18.4430023    5.4638731  0.00    0.0030950   -0.0003341    0.0006248
 C    3.4211511   17.5339729    6.6724065  0.00    0.0014935    0.0005149   -0.0015423
 H    2.5938368   16.8344325    6.5400006  0.00   -0.0040996   -0.0022602   -0.0006006
 C    4.7036957   16.7043498    6.7565478  0.00   -0.0002074    0.0018194   -0.0006989
 H    4.8341181   16.0774196    5.8735842  0.00    0.0021347    0.0007680    0.0006072
 H    4.6746973   16.0493945    7.6307304  0.00    0.0017142    0.0002756   -0.0013317
 H    5.5811364   17.3491612    6.8506502  0.00    0.0007827    0.0005897    0.0011788
 C    3.2041372   18.2958101    7.9784638  0.00    0.0024095   -0.0011388   -0.0014319
 H    4.0723227   18.9036688    8.2423430  0.00    0.0023643   -0.0010167   -0.0010084
 H    3.0428034   17.5940720    8.8001052  0.00    0.0033887    0.0015100    0.0014501
 H    2.3413060   18.9657474    7.9328970  0.00    0.0014352   -0.0002414   -0.0022336
 C    2.1716186   18.7105459    1.8306185  0.00    0.0020878    0.0009485    0.0030174
 H    1.4215265   17.9310436    2.0065831  0.00   -0.0040267   -0.0010225   -0.0004052
 C    1.4609996   19.9366640    1.2658576  0.00   -0.0004404   -0.0037397   -0.0016029
 H    0.7694523   20.3820704    1.9859823  0.00    0.0015763    0.0011721   -0.0011439
 H    0.8929381   19.6649806    0.3743328  0.00    0.0022228    0.0023943   -0.0020388
 H    2.1689644   20.7139012    0.9718717  0.00    0.0017922   -0.0003520    0.0003316
 C    3.1594487   18.1538030    0.8039194  0.00   -0.0017572   -0.0006659    0.0018776
 H    3.9431660   18.8843108    0.5879239  0.00    0.0002941    0.0010609    0.0002456
 H    2.6448435   17.9271601   -0.1329946  0.00    0.0030677   -0.0013709    0.0024436
 H    3.6348410   17.2392298    1.1601168  0.00   -0.0003835    0.0000965   -0.0016872
 C   -0.1891177   16.9670359    7.1150480  0.00   -0.0013446   -0.0024528    0.0033911
 H    0.6638908   17.5057453    7.5625084  0.00    0.0007679    0.0030295   -0.0020103
 H   -1.0923979   17.4304460    7.5474737  0.00    0.0000327    0.0040804   -0.0025255
 C    1.4374602   14.3297014    7.2714268  0.00   -0.0003941   -0.0003820    0.0004191
 H    1.5512831   14.2905263    6.1850366  0.00    0.0002180   -0.0005208   -0.0012012
 H    1.4130379   13.2987703    7.6373861  0.00    0.0008536    0.0020662   -0.0006130
 H    2.3350845   14.7949283    7.6859849  0.00    0.0010830    0.0001455   -0.0007857
 C   -0.1310051   15.2965182    9.6927201  0.00   -0.0002328   -0.0009082    0.0013827
 H    0.7310569   15.8514622   10.0724649  0.00    0.0000275   -0.0010562    0.0016407
 H   -0.0952416   14.2920431   10.1239539  0.00   -0.0000485    0.0014900    0.0056410
 H   -1.0325026   15.7873652   10.0692037  0.00    0.0003446   -0.0013077    0.0009504
 C   -1.6134958   14.2193476    7.2626049  0.00   -0.0001510    0.0000623   -0.0006170
 H   -2.5443564   14.6169363    7.6743753  0.00   -0.0000240   -0.0001217   -0.0006701
 H   -1.5157465   13.1919691    7.6258805  0.00   -0.0012501   -0.0002404   -0.0002313
 H   -1.7196608   14.1753665    6.1755659  0.00    0.0000295   -0.0007928   -0.0003275
129
 Energy =   -2867.2894423030
 O   -0.1326779   15.5633417    3.8310372  0.00   -0.0059203   -0.0018094   -0.0005500
Th   -0.2008980   17.7706828    4.8661072  0.00   -0.0001509   -0.0016052    0.0014699
Si   -0.1238180   15.2159095    7.8197186  0.00    0.0002879   -0.0007887    0.0027346
 N   -2.1738078   16.9613695    4.1965191  0.00   -0.0007009   -0.0008828    0.0011686
 N    1.8202755   17.0677684    4.2266427  0.00    0.0001937   -0.0002733    0.0016826
 C   -2.5890910   13.1483048    2.5966546  0.00    0.0003547   -0.0040766   -0.0002134
 H   -2.6486171   12.1506915    2.1853917  0.00   -0.0026073    0.0028086    0.0020707
 C   -3.7570246   13.8740746    2.7877614  0.00   -0.0023431    0.0023676    0.0001813
 C   -3.6663148   15.1663080    3.3202088  0.00   -0.0003486    0.0001014    0.0004544
 H   -4.5563261   15.7669609    3.4654257  0.00    0.0023093   -0.0014456   -0.0005753
 C   -2.4367659   15.7050702    3.6591171  0.00   -0.0009349    0.0026454    0.0014662
 C    2.1595736   15.8379140    3.6735537  0.00   -0.0000847   -0.0008925    0.0001373
 C    3.4195804   15.3783903    3.3306221  0.00   -0.0032933   -0.0010348    0.0001279
 H    4.2716954   16.0295275    3.4842193  0.00    0.0005922    0.0000223   -0.0002726
 C    3.5883193   14.0960845    2.7930410  0.00   -0.0037510   -0.0023789   -0.0011987
 C    2.4662689   13.3014156    2.5985702  0.00    0.0038868    0.0056600    0.0029046
 H    2.5867540   12.3105664    2.1850842  0.00    0.0025202   -0.0014691   -0.0002682
 C   -0.0502125   12.8471723    2.7037626  0.00   -0.0001157    0.0009116   -0.0000126
 C   -1.3236453   13.6541533    2.9168256  0.00    0.0000174   -0.0017626   -0.0005617
 C   -1.3051754   14.9167736    3.4498463  0.00    0.0019377    0.0033727    0.0022738
 C    1.0766094   14.9864793    3.4546626  0.00    0.0058544   -0.0032599   -0.0009361
 C    1.1719729   13.7289082    2.9179419  0.00   -0.0010111    0.0035084    0.0023799
 C   -0.0150294   11.6899337    3.7158561  0.00   -0.0013485   -0.0000032   -0.0027720
 H   -0.0262610   12.0641625    4.7415073  0.00   -0.0000808   -0.0012247   -0.0023276
 H    0.8881921   11.0914264    3.5806888  0.00    0.0007486    0.0003151   -0.0010778
 H   -0.8802248   11.0375256    3.5809370  0.00   -0.0002996    0.0006040   -0.0009175
 C   -0.0326430   12.2834822    1.2769586  0.00   -0.0016482   -0.0023547    0.0010163
 H   -0.8903735   11.6327159    1.1049237  0.00   -0.0015327   -0.0005301    0.0003413
 H    0.8630608   11.6860395    1.1055046  0.00    0.0022925   -0.0009155    0.0006975
 H   -0.0567919   13.0858563    0.5372197  0.00   -0.0000738   -0.0023788    0.0021545
 C   -5.1306738   13.3104340    2.4274663  0.00    0.0004619   -0.0002975   -0.0002952
 C   -6.0186686   13.2906001    3.6770077  0.00   -0.0004206    0.0013995    0.0007885
 H   -5.5766459   12.6741653    4.4633152  0.00    0.0008843   -0.0007684    0.0003985
 H   -7.0000696   12.8764785    3.4331376  0.00   -0.0005510    0.0009656   -0.0009256
 H   -6.1764427   14.2923551    4.0818269  0.00   -0.0006199    0.0019229   -0.0014771
 C   -5.7781102   14.1975224    1.3573054  0.00   -0.0002112    0.0015363    0.0001463
 H   -5.9113493   15.2247317    1.7036418  0.00   -0.0005786   -0.0005418    0.0023456
 H   -6.7640842   13.8072602    1.0931859  0.00   -0.0011195    0.0009782    0.0003933
 H   -5.1707752   14.2229710    0.4492422  0.00    0.0012064    0.0000960   -0.0001680
 C   -5.0479531   11.8877888    1.8807855  0.00   -0.0017628    0.0002785   -0.0003302
 H   -4.4588708   11.8366728    0.9618571  0.00   -0.0004325   -0.0007326   -0.0016196
 H   -6.0528384   11.5321705    1.6443388  0.00    0.0001903   -0.0009579   -0.0003366
 H   -4.6182324   11.1950488    2.6085799  0.00   -0.0014524   -0.0007579    0.0004543
 C    4.9942589   13.6138905    2.4397764  0.00    0.0011393   -0.0000652   -0.0003993
 C    5.6081597   14.5526789    1.3944934  0.00    0.0003261    0.0017653    0.0007702
 H    6.6148768   14.2164623    1.1344799  0.00    0.0010518    0.0012036    0.0003329
 H    5.6883494   15.5779242    1.7622903  0.00    0.0007213   -0.0003184    0.0022696
 H    5.0102264   14.5665620    0.4799509  0.00   -0.0014345   -0.0002686   -0.0000330
 C    5.8652552   13.6186771    3.7016542  0.00    0.0003015    0.0019372    0.0004218
 H    5.4482859   12.9619792    4.4687915  0.00   -0.0008324   -0.0007641    0.0003406
 H    5.9589861   14.6192723    4.1288287  0.00    0.0006210    0.0020028   -0.0013763
 H    6.8719680   13.2660251    3.4641871  0.00    0.0005327    0.0012768   -0.0005629
 C    4.9949159   12.1990930    1.8671574  0.00    0.0014756    0.0000487   -0.0002768
 H    4.5994729   11.4702812    2.5788926  0.00    0.0015874   -0.0010585    0.0005355
 H    6.0197695   11.9041551    1.6330725  0.00    0.0001190   -0.0010547   -0.0004518
 H    4.4159098   12.1321327    0.9428321  0.00    0.0007082   -0.0003985   -0.0017172
 C   -3.1611650   17.9862979    4.2657978  0.00   -0.0016742   -0.0003620   -0.0033380
 C   -3.9332095   18.1658770    5.4378317  0.00    0.0007875   -0.0011393    0.0018492
 C   -4.8577060   19.2052319    5.4729255  0.00   -0.0007906    0.0013363    0.0003615
 H   -5.4602160   19.3474604    6.3623245  0.00    0.0002384   -0.0014960    0.0008223
 C   -5.0337748   20.0499249    4.3947047  0.00    0.0017762   -0.0001210   -0.0000916
 H   -5.7665533   20.8470065    4.4412857  0.00    0.0005955    0.0021532    0.0019821
 C   -4.2739033   19.8747516    3.2527405  0.00    0.0002849   -0.0000202   -0.0018146
 H   -4.4241912   20.5408202    2.4124245  0.00    0.0006650    0.0018979   -0.0004291
 C   -3.3324703   18.8561991    3.1581674  0.00   -0.0006917   -0.0000664    0.0007901
 C   -2.5794787   18.6768406    1.8552686  0.00    0.0037364   -0.0044238    0.0020085
 H   -1.6705662   18.0961912    2.0643793  0.00    0.0014874    0.0013580    0.0003065
 C   -3.4020441   17.8623213    0.8538826  0.00   -0.0001740    0.0004701    0.0005560
 H   -3.6607676   16.8785600    1.2453528  0.00    0.0012811   -0.0001445   -0.0017044
 H   -2.8421255   17.7241904   -0.0742879  0.00   -0.0011106   -0.0002365    0.0026129
 H   -4.3290744   18.3884481    0.6112391  0.00   -0.0007149    0.0010795    0.0012485
 C   -2.1622269   20.0008195    1.2222590  0.00   -0.0009998    0.0003826   -0.0004012
 H   -3.0238245   20.5534766    0.8427183  0.00   -0.0006073   -0.0011703    0.0008331
 H   -1.5055411   19.8163236    0.3706918  0.00   -0.0036872    0.0029968   -0.0006726
 H   -1.6361394   20.6522805    1.9243665  0.00   -0.0024690   -0.0009632   -0.0013681
 C   -3.8350997   17.2450829    6.6336742  0.00    0.0027186   -0.0032168   -0.0023938
 H   -2.9581079   16.6104112    6.4927710  0.00    0.0019026    0.0005465   -0.0009578
 C   -5.0518821   16.3227046    6.7186103  0.00   -0.0011138    0.0001373   -0.0002318
 H   -5.9744148   16.8993717    6.8225197  0.00   -0.0010936    0.0014414    0.0008660
 H   -4.9693368   15.6665388    7.5885506  0.00   -0.0015986    0.0005694   -0.0021808
 H   -5.1410049   15.6927989    5.8329564  0.00   -0.0017823    0.0001267   -0.0000094
 C   -3.6702589   18.0115563    7.9454672  0.00   -0.0022562   -0.0014875   -0.0006311
 H   -2.8647770   18.7494108    7.9000601  0.00   -0.0025678   -0.0016359   -0.0022175
 H   -3.4476679   17.3186316    8.7603174  0.00   -0.0046762    0.0018142    0.0020128
 H   -4.5830849   18.5457365    8.2185374  0.00   -0.0003425   -0.0016500   -0.0016636
 C    2.7278943   18.1631399    4.2802202  0.00    0.0031641    0.0013809   -0.0004515
 C    2.8616925   19.0026800    3.1462840  0.00   -0.0015250   -0.0013443   -0.0000819
 C    3.7039560   20.1053813    3.2293906  0.00    0.0003876    0.0010975   -0.0033368
 H    3.8241971   20.7490871    2.3661559  0.00   -0.0005462    0.0018516   -0.0007453
 C    4.4024235   20.3906825    4.3880728  0.00    0.0010054    0.0022533   -0.0009692
 H    5.0569391   21.2537215    4.4288707  0.00   -0.0031432   -0.0000949    0.0014137
 C    4.2719807   19.5668925    5.4896513  0.00   -0.0004390   -0.0022647    0.0018997
 H    4.8342486   19.7906495    6.3884482  0.00   -0.0001099   -0.0005268    0.0012212
 C    3.4503888   18.4440303    5.4641742  0.00   -0.0004555    0.0001328   -0.0004788
 C    3.4210452   17.5345486    6.6722128  0.00   -0.0010182   -0.0025163    0.0002519
 H    2.5938402   16.8346293    6.5399847  0.00   -0.0021961   -0.0006666   -0.0011625
 C    4.7038373   16.7052527    6.7550028  0.00    0.0007579    0.0013790   -0.0002034
 H    4.8336579   16.0794180    5.8712376  0.00    0.0030537   -0.0001345    0.0006164
 H    4.6756823   16.0492957    7.6284921  0.00    0.0010210    0.0007352   -0.0016452
 H    5.5813099   17.3500532    6.8492417  0.00    0.0001221    0.0007018    0.0009131
 C    3.2041981   18.2949873    7.9791166  0.00    0.0036582    0.0000035   -0.0019232
 H    4.0723597   18.9029390    8.2433707  0.00    0.0004938   -0.0019506   -0.0012241
 H    3.0433856   17.5920213    8.7998272  0.00    0.0037416    0.0023712    0.0018074
 H    2.3408884   18.9644136    7.9346117  0.00    0.0023233   -0.0000850   -0.0023268
 C    2.1705043   18.7111094    1.8310204  0.00   -0.0010032   -0.0018934    0.0010487
 H    1.4193932   17.9323843    2.0073261  0.00   -0.0023237    0.0007997   -0.0001850
 C    1.4611862   19.9370845    1.2642875  0.00    0.0002588   -0.0011008   -0.0011303
 H    0.7704062   20.3847090    1.9838824  0.00    0.0019068    0.0002950   -0.0017280
 H    0.8924517   19.6644312    0.3734411  0.00    0.0027873    0.0025614   -0.0017594
 H    2.1699543   20.7131403    0.9684863  0.00    0.0002704   -0.0022262    0.0013539
 C    3.1579946   18.1518832    0.8053950  0.00    0.0003819   -0.0000823    0.0017514
 H    3.9428849   18.8811004    0.5891484  0.00   -0.0000331    0.0010020    0.0003189
 H    2.6439333   17.9247753   -0.1316859  0.00    0.0020263   -0.0009535    0.0025435
 H    3.6318521   17.2370704    1.1629500  0.00    0.0002788    0.0000285   -0.0019582
 C   -0.1893312   16.9672237    7.1150462  0.00   -0.0012042   -0.0027268    0.0038440
 H    0.6634602   17.5059101    7.5629835  0.00    0.0009806    0.0028700   -0.0029749
 H   -1.0925313   17.4304503    7.5478688  0.00   -0.0000630    0.0039134   -0.0035119
 C    1.4373776   14.3296291    7.2731985  0.00   -0.0002062    0.0007179   -0.0008036
 H    1.5512514   14.2901039    6.1868151  0.00    0.0005012   -0.0006935   -0.0010071
 H    1.4127065   13.2988987    7.6395546  0.00    0.0009443    0.0013109   -0.0004850
 H    2.3349615   14.7949535    7.6877221  0.00    0.0010720    0.0001305   -0.0009152
 C   -0.1311174   15.2982294    9.6936603  0.00   -0.0001416   -0.0004957    0.0015094
 H    0.7309139   15.8535285   10.0729453  0.00    0.0001958   -0.0008144    0.0014849
 H   -0.0953847   14.2943553   10.1262617  0.00   -0.0000797    0.0008383    0.0046708
 H   -1.0325408   15.7895096   10.0697030  0.00   -0.0000572   -0.0010573    0.0009773
 C   -1.6133828   14.2190858    7.2641700  0.00    0.0000226    0.0001616   -0.0009619
 H   -2.5443171   14.6164914    7.6759198  0.00   -0.0001042   -0.0000279   -0.0007357
 H   -1.5151532   13.1918592    7.6277630  0.00   -0.0014732   -0.0001991   -0.0003503
 H   -1.7195362   14.1747836    6.1771486  0.00   -0.0001882   -0.0008828   -0.0004407
129
 Energy =   -2867.2894469500
 O   -0.1329306   15.5632095    3.8312369  0.00    0.0042663   -0.0009329   -0.0011722
Th   -0.2008713   17.7704534    4.8658692  0.00   -0.0010438   -0.0004688    0.0046132
Si   -0.1238233   15.2156852    7.8200625  0.00   -0.0004897    0.0008102    0.0029625
 N   -2.1740485   16.9613815    4.1963644  0.00   -0.0008729    0.0030526    0.0023274
 N    1.8204466   17.0678648    4.2266256  0.00    0.0007923   -0.0039779    0.0005411
 C   -2.5891213   13.1482681    2.5967479  0.00   -0.0026156    0.0014764    0.0014250
 H   -2.6485457   12.1508708    2.1854964  0.00   -0.0036049   -0.0007066    0.0006510
 C   -3.7571998   13.8742547    2.7878280  0.00    0.0001045   -0.0020680   -0.0010996
 C   -3.6664865   15.1664416    3.3201990  0.00    0.0027836    0.0000701    0.0012829
 H   -4.5561858   15.7673804    3.4656778  0.00    0.0008918   -0.0017314   -0.0010798
 C   -2.4368187   15.7051207    3.6591217  0.00   -0.0019959    0.0004467   -0.0000781
 C    2.1596578   15.8377568    3.6734734  0.00   -0.0055585    0.0051262    0.0035520
 C    3.4193870   15.3784411    3.3306437  0.00    0.0067882   -0.0012485   -0.0008700
 H    4.2715098   16.0299493    3.4845658  0.00   -0.0026282   -0.0035267   -0.0016062
 C    3.5882841   14.0960160    2.7930362  0.00    0.0018019    0.0026870    0.0004042
 C    2.4663378   13.3016494    2.5987635  0.00   -0.0004626   -0.0051634   -0.0011770
 H    2.5866311   12.3104976    2.1850296  0.00    0.0024574    0.0036625    0.0019866
 C   -0.0502812   12.8469418    2.7037544  0.00    0.0006606    0.0017066    0.0007528
 C   -1.3236475   13.6539342    2.9169212  0.00   -0.0004473    0.0047977    0.0009250
 C   -1.3051022   14.9168780    3.4499087  0.00   -0.0045166   -0.0043147   -0.0002309
 C    1.0767084   14.9862825    3.4546783  0.00   -0.0014473    0.0040559    0.0034968
 C    1.1718601   13.7289213    2.9181964  0.00    0.0017491   -0.0026012   -0.0020804
 C   -0.0150963   11.6894763    3.7152477  0.00    0.0001087   -0.0013360   -0.0017287
 H   -0.0263014   12.0632253    4.7409055  0.00   -0.0002199   -0.0006850    0.0003541
 H    0.8880635   11.0909147    3.5798078  0.00    0.0009037    0.0006952   -0.0009290
 H   -0.8801424   11.0370756    3.5799667  0.00   -0.0015719    0.0001414   -0.0007618
 C   -0.0327047   12.2827534    1.2772515  0.00    0.0002640   -0.0026038    0.0010150
 H   -0.8903739   11.6318399    1.1055342  0.00   -0.0017596   -0.0002742    0.0001650
 H    0.8630712   11.6851602    1.1061276  0.00    0.0011773    0.0000738    0.0006448
 H   -0.0568031   13.0848679    0.5374488  0.00   -0.0002141   -0.0011119   -0.0002359
 C   -5.1308193   13.3104955    2.4274257  0.00   -0.0015307    0.0019498    0.0003777
 C   -6.0189139   13.2905442    3.6771224  0.00   -0.0001399   -0.0002531   -0.0006371
 H   -5.5766409   12.6741148    4.4634003  0.00    0.0004502    0.0001218   -0.0004093
 H   -7.0001846   12.8759232    3.4332379  0.00    0.0004136    0.0017077   -0.0007554
 H   -6.1771399   14.2921909    4.0820069  0.00   -0.0002462    0.0021031   -0.0016600
 C   -5.7781184   14.1976873    1.3570800  0.00   -0.0004102   -0.0005407   -0.0000831
 H   -5.9116544   15.2248348    1.7033092  0.00   -0.0005397    0.0001831    0.0028444
 H   -6.7639709   13.8071738    1.0926047  0.00   -0.0002626    0.0015137    0.0007544
 H   -5.1704743   14.2232126    0.4491476  0.00    0.0006239   -0.0000320    0.0007638
 C   -5.0484762   11.8878911    1.8806541  0.00    0.0019510   -0.0006763   -0.0001908
 H   -4.4593965   11.8365684    0.9616171  0.00   -0.0011268   -0.0004326   -0.0001900
 H   -6.0533575   11.5324609    1.6442807  0.00   -0.0010887   -0.0011618   -0.0006547
 H   -4.6188987   11.1949842    2.6084818  0.00   -0.0016072   -0.0000580   -0.0003587
 C    4.9944974   13.6139928    2.4397328  0.00   -0.0003357    0.0003698   -0.0000655
 C    5.6081741   14.5528320    1.3942754  0.00    0.0000258    0.0008246    0.0001937
 H    6.6147259   14.2163914    1.1338335  0.00    0.0008872    0.0014414    0.0007033
 H    5.6886803   15.5780528    1.7619619  0.00    0.0006440    0.0001919    0.0026748
 H    5.0099287   14.5667894    0.4798526  0.00   -0.0009266   -0.0004008    0.0010316
 C    5.8654759   13.6186667    3.7017552  0.00   -0.0004074    0.0008802    0.0002805
 H    5.4482132   12.9619849    4.4688726  0.00   -0.0004116    0.0002322   -0.0006010
 H    5.9595953   14.6191963    4.1290145  0.00    0.0003344    0.0019877   -0.0016380
 H    6.8720728   13.2655261    3.4644092  0.00    0.0002117    0.0017678   -0.0007484
 C    4.9954824   12.1991988    1.8670448  0.00   -0.0000825   -0.0001597   -0.0000370
 H    4.6002908   11.4702876    2.5788609  0.00    0.0012997   -0.0008389    0.0000492
 H    6.0203770   11.9044968    1.6330130  0.00    0.0007513   -0.0011236   -0.0005915
 H    4.4165623   12.1320413    0.9426183  0.00    0.0007886   -0.0002162   -0.0008055
 C   -3.1614669   17.9865228    4.2657470  0.00   -0.0010756   -0.0025140   -0.0022112
 C   -3.9335404   18.1660460    5.4378430  0.00    0.0037903   -0.0015859    0.0017899
 C   -4.8577459   19.2056647    5.4731936  0.00   -0.0019874   -0.0013131    0.0000138
 H   -5.4606894   19.3476110    6.3624176  0.00    0.0014480   -0.0012780    0.0002046
 C   -5.0337319   20.0502464    4.3949111  0.00    0.0010736    0.0027650    0.0013483
 H   -5.7666074   20.8472474    4.4414490  0.00    0.0008577    0.0023940    0.0021550
 C   -4.2736962   19.8754615    3.2530755  0.00   -0.0012553   -0.0010296   -0.0045469
 H   -4.4241978   20.5414456    2.4126488  0.00    0.0012611    0.0017115    0.0008188
 C   -3.3326751   18.8566310    3.1582586  0.00    0.0039826   -0.0009779    0.0011292
 C   -2.5793767   18.6771130    1.8555133  0.00   -0.0000771   -0.0004355   -0.0007211
 H   -1.6702027   18.0970383    2.0645156  0.00    0.0024480    0.0002571    0.0011830
 C   -3.4020088   17.8621007    0.8545721  0.00   -0.0009017    0.0021130    0.0001514
 H   -3.6602325   16.8784972    1.2463587  0.00    0.0002724   -0.0021018   -0.0007274
 H   -2.8425115   17.7236440   -0.0736887  0.00    0.0002288    0.0000742    0.0013659
 H   -4.3292950   18.3879561    0.6119402  0.00    0.0004319    0.0003098    0.0018080
 C   -2.1628231   20.0011351    1.2217995  0.00   -0.0014505   -0.0009225    0.0024917
 H   -3.0246615   20.5534031    0.8424069  0.00   -0.0015223   -0.0010138    0.0004486
 H   -1.5064574   19.8166356    0.3701211  0.00   -0.0023034    0.0024604   -0.0017722
 H   -1.6367617   20.6529550    1.9235889  0.00   -0.0023000   -0.0007169   -0.0014318
 C   -3.8352951   17.2449046    6.6334663  0.00   -0.0043904    0.0012803    0.0006180
 H   -2.9583585   16.6104842    6.4928554  0.00    0.0043309   -0.0019768   -0.0021952
 C   -5.0524596   16.3228575    6.7179322  0.00   -0.0000578    0.0006287   -0.0004573
 H   -5.9749588   16.8996208    6.8220955  0.00   -0.0000250    0.0013926    0.0003239
 H   -4.9702931   15.6661623    7.5874394  0.00   -0.0011111    0.0001094   -0.0013498
 H   -5.1413946   15.6935747    5.8319082  0.00   -0.0026000   -0.0009097   -0.0006754
 C   -3.6708975   18.0111931    7.9455678  0.00   -0.0010991   -0.0020231   -0.0034011
 H   -2.8652383   18.7488533    7.9000939  0.00   -0.0028384   -0.0012534   -0.0011412
 H   -3.4485841   17.3181349    8.7603255  0.00   -0.0041441    0.0013683    0.0023912
 H   -4.5837193   18.5453882    8.2184746  0.00   -0.0006538   -0.0013110   -0.0016178
 C    2.7280907   18.1633053    4.2803082  0.00    0.0033212    0.0005582   -0.0020153
 C    2.8617589   19.0028201    3.1463229  0.00   -0.0020574    0.0018269    0.0010855
 C    3.7037284   20.1059162    3.2293413  0.00    0.0015545   -0.0034083   -0.0007648
 H    3.8242034   20.7494817    2.3660761  0.00   -0.0010631    0.0023475   -0.0011165
 C    4.4024480   20.3909531    4.3880026  0.00   -0.0027233   -0.0001294    0.0015901
 H    5.0568992   21.2538456    4.4286850  0.00   -0.0014273    0.0023812    0.0017838
 C    4.2719470   19.5672922    5.4899230  0.00    0.0016422   -0.0009722   -0.0044452
 H    4.8347097   19.7910205    6.3883958  0.00   -0.0008338   -0.0004695    0.0018287
 C    3.4507023   18.4442314    5.4642211  0.00   -0.0032163    0.0001540    0.0007021
 C    3.4213925   17.5346699    6.6721537  0.00   -0.0003370   -0.0023922    0.0008415
 H    2.5940208   16.8347996    6.5401576  0.00   -0.0008110   -0.0003049   -0.0014470
 C    4.7043330   16.7056774    6.7545429  0.00    0.0005853   -0.0011023   -0.0005132
 H    4.8341377   16.0803448    5.8704271  0.00    0.0034255   -0.0003482    0.0007712
 H    4.6764805   16.0491926    7.6276356  0.00    0.0005414    0.0006806   -0.0014474
 H    5.5817813   17.3503722    6.8491708  0.00    0.0002964    0.0017082    0.0004594
 C    3.2049748   18.2949017    7.9792089  0.00    0.0001321   -0.0008689   -0.0016448
 H    4.0731616   18.9027181    8.2433401  0.00    0.0011367   -0.0007476   -0.0009520
 H    3.0444022   17.5917082    8.7998790  0.00    0.0037511    0.0032056    0.0007935
 H    2.3413723   18.9641295    7.9348128  0.00    0.0040845   -0.0005870   -0.0014595
 C    2.1705800   18.7111768    1.8311656  0.00   -0.0027722   -0.0027014   -0.0014997
 H    1.4191039   17.9326402    2.0072463  0.00   -0.0011355    0.0016061    0.0004109
 C    1.4616017   19.9371028    1.2637504  0.00    0.0011208    0.0007938    0.0010248
 H    0.7708069   20.3851474    1.9831573  0.00    0.0020580   -0.0001663   -0.0024694
 H    0.8931387   19.6645615    0.3727343  0.00    0.0022642    0.0017255   -0.0017101
 H    2.1705736   20.7130757    0.9680758  0.00    0.0002006   -0.0028957    0.0011415
 C    3.1582290   18.1515512    0.8059784  0.00    0.0017463    0.0012177    0.0004265
 H    3.9431708   18.8807740    0.5896151  0.00   -0.0004103    0.0000875    0.0007517
 H    2.6447527   17.9239447   -0.1312166  0.00    0.0004656   -0.0004693    0.0017615
 H    3.6319267   17.2368803    1.1637562  0.00    0.0012744   -0.0012056   -0.0007509
 C   -0.1894942   16.9672480    7.1154365  0.00    0.0013007   -0.0023307    0.0020318
 H    0.6634038   17.5061575    7.5631543  0.00    0.0001495    0.0016584   -0.0034821
 H   -1.0924254   17.4310167    7.5481160  0.00   -0.0012051    0.0032622   -0.0030500
 C    1.4373747   14.3295699    7.2733909  0.00    0.0002394    0.0011784   -0.0011193
 H    1.5509804   14.2898823    6.1869648  0.00    0.0006939   -0.0006332   -0.0005518
 H    1.4127240   13.2989289    7.6398882  0.00    0.0009951    0.0006874   -0.0003650
 H    2.3350724   14.7949219    7.6877213  0.00    0.0004820   -0.0000139   -0.0011627
 C   -0.1311014   15.2980437    9.6940865  0.00    0.0004550   -0.0006029    0.0024429
 H    0.7308648   15.8534304   10.0733484  0.00    0.0004749   -0.0000836    0.0010942
 H   -0.0953657   14.2946394   10.1277616  0.00   -0.0001123   -0.0000567    0.0029353
 H   -1.0324405   15.7894056   10.0700400  0.00   -0.0010352   -0.0000598    0.0010195
 C   -1.6133628   14.2188387    7.2643146  0.00    0.0009888   -0.0008185    0.0004573
 H   -2.5443547   14.6162320    7.6759254  0.00   -0.0002310    0.0000482   -0.0007928
 H   -1.5151083   13.1915988    7.6280611  0.00   -0.0016013    0.0007436   -0.0007319
 H   -1.7192445   14.1744022    6.1773097  0.00   -0.0004938   -0.0007919   -0.0010660
129
 Energy =   -2867.2894541450
 O   -0.1329303   15.5629085    3.8313218  0.00   -0.0003881    0.0011126   -0.0001690
Th   -0.2008894   17.7702736    4.8656293  0.00   -0.0008007   -0.0011804    0.0061942
Si   -0.1238721   15.2155584    7.8208270  0.00   -0.0006748    0.0014285    0.0028036
 N   -2.1741858   16.9614923    4.1962257  0.00   -0.0000071    0.0000147    0.0014083
 N    1.8205214   17.0676635    4.2266526  0.00    0.0007253    0.0021605    0.0027791
 C   -2.5892996   13.1483415    2.5968815  0.00   -0.0004443   -0.0005798    0.0002440
 H   -2.6487486   12.1509410    2.1855647  0.00   -0.0038133   -0.0001768    0.0009152
 C   -3.7573054   13.8743450    2.7877502  0.00   -0.0011365   -0.0007571   -0.0001809
 C   -3.6664397   15.1665706    3.3201785  0.00   -0.0015021   -0.0021203    0.0000905
 H   -4.5559720   15.7677446    3.4657541  0.00    0.0001611   -0.0020206   -0.0013680
 C   -2.4369382   15.7050808    3.6590551  0.00    0.0020947    0.0027816    0.0013954
 C    2.1595215   15.8377476    3.6735306  0.00   -0.0018239    0.0008682    0.0012229
 C    3.4193772   15.3784308    3.3305923  0.00    0.0028619   -0.0007033    0.0005393
 H    4.2711429   16.0301959    3.4847814  0.00   -0.0003361   -0.0028696   -0.0018014
 C    3.5883555   14.0961080    2.7929855  0.00    0.0003627   -0.0008590   -0.0006563
 C    2.4662816   13.3015764    2.5988583  0.00    0.0044940   -0.0029881   -0.0013502
 H    2.5867218   12.3105505    2.1850328  0.00    0.0024648    0.0027463    0.0016917
 C   -0.0503609   12.8467404    2.7037399  0.00    0.0019415    0.0019353    0.0002276
 C   -1.3236779   13.6538425    2.9169966  0.00   -0.0028737    0.0020110   -0.0000962
 C   -1.3052971   14.9166964    3.4499125  0.00    0.0000745   -0.0013977    0.0009736
 C    1.0766253   14.9862079    3.4548494  0.00    0.0004747   -0.0012229    0.0004656
 C    1.1719208   13.7287068    2.9182855  0.00   -0.0020175    0.0004347   -0.0002426
 C   -0.0151638   11.6891134    3.7146938  0.00    0.0005180   -0.0019149    0.0004789
 H   -0.0263703   12.0627427    4.7402576  0.00   -0.0003039   -0.0011452    0.0028834
 H    0.8879799   11.0905312    3.5792174  0.00    0.0009292    0.0010487   -0.0012080
 H   -0.8801482   11.0367290    3.5792861  0.00   -0.0022157   -0.0000703   -0.0008774
 C   -0.0327509   12.2820361    1.2775034  0.00    0.0007203   -0.0009610    0.0003899
 H   -0.8904877   11.6311357    1.1058805  0.00   -0.0011121    0.0000709    0.0004530
 H    0.8631660   11.6844866    1.1065245  0.00   -0.0001016    0.0007265    0.0010216
 H   -0.0568328   13.0841729    0.5378881  0.00   -0.0002343   -0.0010290   -0.0027274
 C   -5.1309612   13.3106054    2.4272428  0.00   -0.0012516    0.0013965    0.0003239
 C   -6.0191378   13.2902837    3.6770514  0.00    0.0002007   -0.0002096   -0.0016257
 H   -5.5764794   12.6738835    4.4632804  0.00   -0.0001394    0.0015857   -0.0013682
 H   -7.0001486   12.8750115    3.4330524  0.00    0.0008811    0.0019174   -0.0005856
 H   -6.1781210   14.2919015    4.0819278  0.00    0.0003609    0.0008698   -0.0019240
 C   -5.7780701   14.1977230    1.3566140  0.00   -0.0003636   -0.0010486    0.0004577
 H   -5.9121508   15.2248214    1.7028370  0.00   -0.0002530    0.0000429    0.0026039
 H   -6.7637055   13.8068536    1.0917565  0.00    0.0000860    0.0016654    0.0005945
 H   -5.1699732   14.2233344    0.4488805  0.00   -0.0001510    0.0001735    0.0021106
 C   -5.0484963   11.8879581    1.8803858  0.00    0.0002598   -0.0003309   -0.0004961
 H   -4.4594735   11.8366213    0.9612742  0.00   -0.0010357   -0.0004827    0.0006494
 H   -6.0534098   11.5324242    1.6439690  0.00   -0.0001966   -0.0003353   -0.0004205
 H   -4.6191525   11.1950742    2.6083353  0.00   -0.0008984   -0.0004144   -0.0004817
 C    4.9946343   13.6140509    2.4395476  0.00   -0.0004290    0.0016471    0.0005799
 C    5.6080945   14.5528928    1.3938371  0.00    0.0002489   -0.0010185    0.0002000
 H    6.6144366   14.2160499    1.1329122  0.00    0.0003191    0.0017436    0.0007389
 H    5.6891981   15.5780558    1.7614949  0.00    0.0002978    0.0005198    0.0026584
 H    5.0093943   14.5668403    0.4796078  0.00   -0.0002791    0.0000308    0.0024070
 C    5.8656481   13.6185195    3.7017244  0.00   -0.0003175   -0.0002340   -0.0012782
 H    5.4479899   12.9618538    4.4687720  0.00   -0.0000267    0.0017050   -0.0012761
 H    5.9605023   14.6190384    4.1289290  0.00   -0.0002435    0.0014312   -0.0017032
 H    6.8720635   13.2646768    3.4643634  0.00   -0.0005638    0.0021259   -0.0005803
 C    4.9956210   12.1992495    1.8668447  0.00   -0.0005128   -0.0005382   -0.0004688
 H    4.6006609   11.4703752    2.5788727  0.00    0.0009743   -0.0007013   -0.0008232
 H    6.0204892   11.9044623    1.6327235  0.00    0.0006962   -0.0005183   -0.0004296
 H    4.4166995   12.1320628    0.9423261  0.00    0.0010963   -0.0004200    0.0007577
 C   -3.1613980   17.9866892    4.2657985  0.00   -0.0008056    0.0011273   -0.0036573
 C   -3.9333023   18.1663301    5.4380283  0.00    0.0046106   -0.0032499    0.0010341
 C   -4.8570800   19.2062497    5.4737188  0.00   -0.0035772   -0.0000003   -0.0003224
 H   -5.4605140   19.3478826    6.3627946  0.00    0.0029959   -0.0012639   -0.0011596
 C   -5.0327807   20.0511148    4.3955256  0.00    0.0006872    0.0018005    0.0017226
 H   -5.7658342   20.8479136    4.4420641  0.00    0.0008964    0.0031486    0.0023941
 C   -4.2726993   19.8766779    3.2536573  0.00    0.0012494   -0.0039405   -0.0032662
 H   -4.4232275   20.5427260    2.4133541  0.00    0.0014570    0.0025702    0.0006242
 C   -3.3319535   18.8574178    3.1585145  0.00    0.0016095   -0.0003207    0.0054333
 C   -2.5787343   18.6777901    1.8559076  0.00    0.0017533    0.0008583   -0.0026670
 H   -1.6686859   18.0987953    2.0647722  0.00    0.0002569    0.0007802    0.0010884
 C   -3.4013848   17.8616812    0.8559903  0.00   -0.0013704    0.0003695    0.0002863
 H   -3.6588113   16.8782310    1.2485805  0.00   -0.0004390   -0.0023465   -0.0000200
 H   -2.8425182   17.7224293   -0.0723813  0.00    0.0015764    0.0007701   -0.0004676
 H   -4.3290486   18.3869565    0.6134474  0.00    0.0006131   -0.0001078    0.0020709
 C   -2.1637094   20.0017555    1.2209992  0.00   -0.0026659   -0.0004681    0.0013315
 H   -3.0261623   20.5529323    0.8413735  0.00   -0.0018466   -0.0015903    0.0009891
 H   -1.5076237   19.8175268    0.3691001  0.00   -0.0016103    0.0014565   -0.0018206
 H   -1.6381285   20.6546766    1.9219607  0.00   -0.0013528    0.0001606   -0.0003778
 C   -3.8355109   17.2445328    6.6332089  0.00   -0.0043212    0.0012311    0.0016269
 H   -2.9583499   16.6101602    6.4928874  0.00    0.0018439   -0.0015861   -0.0026441
 C   -5.0531785   16.3231116    6.7165782  0.00   -0.0006196    0.0003307   -0.0012354
 H   -5.9755128   16.9002424    6.8210168  0.00    0.0014001    0.0011342   -0.0001874
 H   -4.9718510   15.6654854    7.5853675  0.00   -0.0005478   -0.0006567   -0.0003760
 H   -5.1419713   15.6947946    5.8299032  0.00   -0.0034066   -0.0013994   -0.0012532
 C   -3.6716603   18.0101660    7.9457026  0.00   -0.0007891   -0.0015659   -0.0025264
 H   -2.8660539   18.7478448    7.9004502  0.00   -0.0024358   -0.0007153   -0.0000795
 H   -3.4496320   17.3169910    8.7604538  0.00   -0.0036309    0.0009411    0.0015624
 H   -4.5845458   18.5441431    8.2186856  0.00   -0.0010753   -0.0006705   -0.0021485
 C    2.7279791   18.1634997    4.2804131  0.00    0.0001164   -0.0020394   -0.0016337
 C    2.8611306   19.0031817    3.1465093  0.00   -0.0023617    0.0019519   -0.0000300
 C    3.7028275   20.1065047    3.2294268  0.00    0.0023795   -0.0021990    0.0006247
 H    3.8235548   20.7501158    2.3660774  0.00   -0.0019393    0.0007622    0.0009592
 C    4.4015644   20.3914815    4.3881845  0.00   -0.0035533   -0.0014813    0.0005263
 H    5.0560930   21.2542029    4.4287213  0.00   -0.0008036    0.0036990    0.0020089
 C    4.2712126   19.5679400    5.4902935  0.00    0.0016724   -0.0005366   -0.0053041
 H    4.8343424   19.7916905    6.3886338  0.00   -0.0021000   -0.0006983    0.0007319
 C    3.4503399   18.4445856    5.4644749  0.00   -0.0027032    0.0007469   -0.0004871
 C    3.4215140   17.5346401    6.6721134  0.00    0.0017935   -0.0009368    0.0015747
 H    2.5940544   16.8347979    6.5404684  0.00   -0.0002275   -0.0010354   -0.0019592
 C    4.7049192   16.7063631    6.7534395  0.00    0.0010910   -0.0016239   -0.0007351
 H    4.8347708   16.0820268    5.8687151  0.00    0.0038582   -0.0012409   -0.0004532
 H    4.6778866   16.0490168    7.6257929  0.00   -0.0000079   -0.0005062   -0.0001774
 H    5.5821686   17.3513167    6.8484775  0.00   -0.0005422    0.0022036    0.0001367
 C    3.2058284   18.2944825    7.9794149  0.00   -0.0009017   -0.0008157   -0.0006818
 H    4.0740755   18.9022163    8.2433704  0.00    0.0013605    0.0001343   -0.0014738
 H    3.0458766   17.5911888    8.8001259  0.00    0.0032234    0.0027536    0.0003767
 H    2.3420369   18.9634872    7.9353778  0.00    0.0041990   -0.0001936   -0.0004427
 C    2.1700726   18.7111619    1.8313304  0.00   -0.0023266   -0.0003589   -0.0023060
 H    1.4179293   17.9332686    2.0072457  0.00   -0.0007902    0.0008558    0.0010770
 C    1.4621026   19.9371962    1.2627471  0.00    0.0010139    0.0004821    0.0002987
 H    0.7716667   20.3864506    1.9816358  0.00    0.0008633   -0.0001107   -0.0019742
 H    0.8936886   19.6646526    0.3716606  0.00    0.0024129    0.0010375   -0.0007109
 H    2.1715583   20.7124317    0.9665992  0.00    0.0016527   -0.0024064    0.0009770
 C    3.1582178   18.1507460    0.8071500  0.00    0.0018150   -0.0000695   -0.0005122
 H    3.9433588   18.8797162    0.5907982  0.00    0.0000471    0.0001933    0.0009800
 H    2.6456412   17.9223902   -0.1302444  0.00   -0.0010519    0.0000399    0.0003784
 H    3.6314301   17.2361241    1.1655096  0.00    0.0021452   -0.0015479    0.0006737
 C   -0.1896648   16.9669999    7.1156068  0.00    0.0009140   -0.0008051    0.0009356
 H    0.6632514   17.5065851    7.5626117  0.00    0.0003093    0.0008210   -0.0031872
 H   -1.0924795   17.4317702    7.5476010  0.00   -0.0008458    0.0019938   -0.0027264
 C    1.4373502   14.3295083    7.2740637  0.00    0.0002107    0.0008446   -0.0000994
 H    1.5507595   14.2894227    6.1876535  0.00    0.0007547   -0.0004378   -0.0010518
 H    1.4126956   13.2989777    7.6408786  0.00    0.0009401    0.0006021   -0.0003914
 H    2.3351719   14.7948032    7.6882176  0.00    0.0004118    0.0002892   -0.0014603
 C   -0.1310905   15.2983067    9.6949016  0.00    0.0001584   -0.0002745    0.0029090
 H    0.7308349   15.8538078   10.0740217  0.00    0.0008263    0.0010190    0.0007566
 H   -0.0953829   14.2954941   10.1297875  0.00   -0.0000793   -0.0016574    0.0017668
 H   -1.0324065   15.7898034   10.0706845  0.00   -0.0013369    0.0008940    0.0007992
 C   -1.6132476   14.2184308    7.2649545  0.00    0.0005772   -0.0000659    0.0006167
 H   -2.5443928   14.6157512    7.6763773  0.00    0.0001429   -0.0000223   -0.0011424
 H   -1.5149564   13.1912982    7.6289004  0.00   -0.0014466    0.0002845   -0.0005219
 H   -1.7189427   14.1737512    6.1779178  0.00   -0.0003341   -0.0006248   -0.0006391
129
 Energy =   -2867.2894641850
 O   -0.1331038   15.5623637    3.8314945  0.00   -0.0009744    0.0025418    0.0003687
Th   -0.2009498   17.7695663    4.8655332  0.00   -0.0008906    0.0008585    0.0093696
Si   -0.1240672   15.2156245    7.8234969  0.00   -0.0005871    0.0021389    0.0018000
 N   -2.1743630   16.9616386    4.1956935  0.00    0.0018782   -0.0012278    0.0001477
 N    1.8206391   17.0674121    4.2269241  0.00   -0.0024966   -0.0011422    0.0018274
 C   -2.5894415   13.1484066    2.5969970  0.00   -0.0034636   -0.0019816   -0.0020588
 H   -2.6489876   12.1511070    2.1856051  0.00   -0.0039341   -0.0012266    0.0005239
 C   -3.7575493   13.8745582    2.7873826  0.00    0.0009661   -0.0022267    0.0007133
 C   -3.6663901   15.1666073    3.3199207  0.00   -0.0034064   -0.0004125    0.0003058
 H   -4.5554197   15.7684458    3.4655204  0.00   -0.0019500   -0.0028491   -0.0020689
 C   -2.4369279   15.7050844    3.6588552  0.00    0.0001243    0.0022244    0.0014556
 C    2.1592522   15.8375136    3.6735640  0.00    0.0014417   -0.0013845    0.0008628
 C    3.4191996   15.3782584    3.3304647  0.00   -0.0018987   -0.0004230    0.0012307
 H    4.2702245   16.0306058    3.4850745  0.00    0.0038362   -0.0026828   -0.0026124
 C    3.5883068   14.0960529    2.7926160  0.00    0.0031539    0.0008582    0.0008513
 C    2.4663394   13.3014364    2.5989174  0.00    0.0000274   -0.0012851   -0.0013944
 H    2.5866562   12.3106826    2.1849495  0.00    0.0032663   -0.0006205    0.0003959
 C   -0.0504464   12.8462844    2.7035300  0.00    0.0009243   -0.0014483    0.0002571
 C   -1.3238428   13.6535514    2.9170004  0.00   -0.0010062    0.0013471   -0.0003484
 C   -1.3055454   14.9163976    3.4499473  0.00    0.0030821   -0.0003774    0.0015209
 C    1.0763789   14.9857528    3.4550743  0.00    0.0024113    0.0001461    0.0001685
 C    1.1717778   13.7282844    2.9184269  0.00    0.0004131   -0.0000277   -0.0017510
 C   -0.0152736   11.6880666    3.7134727  0.00   -0.0007619   -0.0015860    0.0036050
 H   -0.0265502   12.0613778    4.7389065  0.00   -0.0003330   -0.0015951    0.0074977
 H    0.8878122   11.0895080    3.5778254  0.00    0.0015140    0.0011975   -0.0015783
 H   -0.8802814   11.0357379    3.5776891  0.00   -0.0018674    0.0005500   -0.0008324
 C   -0.0327762   12.2802321    1.2778532  0.00   -0.0007743    0.0025714   -0.0007211
 H   -0.8907470   11.6292742    1.1065280  0.00    0.0015318    0.0016274    0.0014269
 H    0.8633386   11.6827504    1.1072874  0.00   -0.0014499    0.0011587    0.0014737
 H   -0.0568883   13.0820975    0.5382099  0.00   -0.0001669   -0.0000605   -0.0068269
 C   -5.1309733   13.3106789    2.4264027  0.00   -0.0017265   -0.0008495   -0.0003503
 C   -6.0195033   13.2888762    3.6762017  0.00    0.0010884    0.0008376   -0.0028700
 H   -5.5758195   12.6726542    4.4622088  0.00   -0.0010508    0.0041669   -0.0026784
 H   -6.9995195   12.8715705    3.4317742  0.00    0.0001910    0.0021610   -0.0007379
 H   -6.1809893   14.2901232    4.0814000  0.00    0.0022728   -0.0010707   -0.0027779
 C   -5.7777297   14.1971523    1.3548873  0.00    0.0001067   -0.0000464    0.0022870
 H   -5.9136517   15.2242619    1.7006259  0.00    0.0009389   -0.0009747    0.0023830
 H   -6.7625256   13.8050442    1.0889665  0.00   -0.0008616    0.0014971    0.0002836
 H   -5.1684835   14.2229640    0.4477720  0.00   -0.0013477    0.0006483    0.0042271
 C   -5.0479000   11.8880114    1.8793302  0.00   -0.0008639   -0.0003274    0.0002691
 H   -4.4589197   11.8367279    0.9601642  0.00   -0.0004589   -0.0004596    0.0016967
 H   -6.0527016   11.5322051    1.6428291  0.00   -0.0004269    0.0001570   -0.0006696
 H   -4.6189694   11.1952139    2.6075844  0.00    0.0003338   -0.0007137   -0.0011268
 C    4.9945826   13.6140436    2.4387781  0.00   -0.0003941   -0.0008299   -0.0001191
 C    5.6076902   14.5522027    1.3921084  0.00    0.0001033   -0.0000424    0.0021926
 H    6.6132252   14.2140308    1.1299326  0.00    0.0010631    0.0016918    0.0008095
 H    5.6907813   15.5775147    1.7592504  0.00   -0.0010784   -0.0010196    0.0022105
 H    5.0078136   14.5661812    0.4785304  0.00    0.0004597    0.0008262    0.0041551
 C    5.8659522   13.6173111    3.7009533  0.00   -0.0009065    0.0010518   -0.0023159
 H    5.4472130   12.9609074    4.4678094  0.00    0.0005010    0.0041055   -0.0020057
 H    5.9632802   14.6176826    4.1283505  0.00   -0.0021036   -0.0007692   -0.0026457
 H    6.8715640   13.2613412    3.4634023  0.00   -0.0001703    0.0025317   -0.0010927
 C    4.9951639   12.1991023    1.8660325  0.00    0.0007692   -0.0000641    0.0003360
 H    4.6007900   11.4704174    2.5785785  0.00   -0.0003225   -0.0010408   -0.0019486
 H    6.0199647   11.9041594    1.6317143  0.00    0.0006695    0.0000725   -0.0004309
 H    4.4162530   12.1318815    0.9414863  0.00    0.0003210   -0.0007991    0.0019326
 C   -3.1606660   17.9876803    4.2658765  0.00    0.0031783    0.0004116    0.0015454
 C   -3.9318016   18.1672766    5.4386551  0.00    0.0010394    0.0006403   -0.0005828
 C   -4.8540271   19.2088481    5.4756797  0.00   -0.0016489   -0.0042572   -0.0027077
 H   -5.4584196   19.3495505    6.3643300  0.00    0.0049772   -0.0004483   -0.0015768
 C   -5.0281129   20.0551204    4.3982951  0.00   -0.0019664    0.0018044    0.0019405
 H   -5.7609702   20.8521639    4.4453292  0.00    0.0025794    0.0033234    0.0023407
 C   -4.2680740   19.8811872    3.2562159  0.00   -0.0014654   -0.0023594   -0.0036032
 H   -4.4185428   20.5483055    2.4164578  0.00    0.0038253    0.0001908    0.0040965
 C   -3.3289930   18.8604985    3.1600262  0.00    0.0026064    0.0014336    0.0025196
 C   -2.5759844   18.6806528    1.8571695  0.00    0.0005338    0.0006086   -0.0010350
 H   -1.6633602   18.1052725    2.0662170  0.00   -0.0034849    0.0012046    0.0003928
 C   -3.3980409   17.8598702    0.8607293  0.00    0.0003126   -0.0024437   -0.0010625
 H   -3.6525150   16.8769151    1.2563013  0.00   -0.0017789   -0.0023442    0.0006634
 H   -2.8402265   17.7186123   -0.0678448  0.00    0.0026429    0.0021734   -0.0025755
 H   -4.3271230   18.3825409    0.6179310  0.00    0.0009657   -0.0005281    0.0023888
 C   -2.1662786   20.0041480    1.2182914  0.00   -0.0011592    0.0021333   -0.0013798
 H   -3.0307684   20.5511565    0.8373540  0.00   -0.0031951   -0.0017690    0.0016992
 H   -1.5104363   19.8201964    0.3661233  0.00   -0.0009102   -0.0000488   -0.0011582
 H   -1.6424324   20.6612519    1.9165161  0.00   -0.0005758    0.0001791    0.0011439
 C   -3.8360135   17.2433975    6.6323364  0.00   -0.0016171   -0.0004100    0.0009885
 H   -2.9585310   16.6088354    6.4923499  0.00   -0.0040845   -0.0005588   -0.0031540
 C   -5.0550368   16.3235978    6.7119510  0.00   -0.0004666   -0.0021157   -0.0013514
 H   -5.9768033   16.9016687    6.8170306  0.00    0.0030122    0.0010790   -0.0010391
 H   -4.9759429   15.6632104    7.5787891  0.00    0.0003076   -0.0009249    0.0005049
 H   -5.1433150   15.6980719    5.8233173  0.00   -0.0048237   -0.0021733   -0.0013643
 C   -3.6733327   18.0064360    7.9462126  0.00   -0.0010942   -0.0000185    0.0001868
 H   -2.8681016   18.7444695    7.9022837  0.00   -0.0014102    0.0003052    0.0014295
 H   -3.4516747   17.3122419    8.7602070  0.00   -0.0025338    0.0000671    0.0003685
 H   -4.5864860   18.5394317    8.2200043  0.00   -0.0020140    0.0006348   -0.0031139
 C    2.7268848   18.1640044    4.2807264  0.00   -0.0003935    0.0037708   -0.0023783
 C    2.8582437   19.0046981    3.1470943  0.00   -0.0007341    0.0027898    0.0021209
 C    3.6987912   20.1091600    3.2300978  0.00    0.0009575   -0.0070293    0.0038126
 H    3.8198628   20.7528053    2.3667595  0.00   -0.0035527    0.0002213    0.0021499
 C    4.3969443   20.3943024    4.3892262  0.00   -0.0022072   -0.0008170   -0.0003286
 H    5.0511772   21.2571555    4.4296568  0.00   -0.0004578    0.0054475    0.0024938
 C    4.2675446   19.5707018    5.4914755  0.00    0.0048372    0.0006042   -0.0054029
 H    4.8313925   19.7947064    6.3896077  0.00   -0.0056404   -0.0011708   -0.0024507
 C    3.4484347   18.4462018    5.4651769  0.00   -0.0048236   -0.0034427   -0.0009985
 C    3.4216716   17.5348112    6.6719621  0.00    0.0017385    0.0007472   -0.0014491
 H    2.5941789   16.8346188    6.5409390  0.00    0.0034096   -0.0005427   -0.0026083
 C    4.7063365   16.7083842    6.7496838  0.00    0.0024616   -0.0023046   -0.0006594
 H    4.8361027   16.0869679    5.8630256  0.00    0.0045107   -0.0026576   -0.0013787
 H    4.6815290   16.0485094    7.6200024  0.00   -0.0006612   -0.0021660    0.0018826
 H    5.5829098   17.3542794    6.8456797  0.00   -0.0024747    0.0022526   -0.0004962
 C    3.2075810   18.2928114    7.9802819  0.00    0.0015643    0.0005631    0.0008223
 H    4.0759780   18.9005326    8.2439452  0.00    0.0004512    0.0010102   -0.0025987
 H    3.0497080   17.5886217    8.8004632  0.00    0.0015459    0.0010532    0.0014109
 H    2.3433162   18.9610992    7.9380295  0.00    0.0029173    0.0013929    0.0009214
 C    2.1678808   18.7115937    1.8318217  0.00   -0.0030204   -0.0015171   -0.0024548
 H    1.4134807   17.9356669    2.0079966  0.00    0.0022130    0.0014798    0.0013545
 C    1.4633015   19.9376417    1.2593102  0.00    0.0016635    0.0026157   -0.0010107
 H    0.7743413   20.3914838    1.9765374  0.00   -0.0013793   -0.0005537   -0.0006734
 H    0.8945092   19.6643644    0.3687173  0.00    0.0015974   -0.0006047   -0.0002502
 H    2.1747255   20.7099472    0.9606390  0.00    0.0038024   -0.0013182    0.0008288
 C    3.1570498   18.1473484    0.8108264  0.00    0.0019944   -0.0023142   -0.0019240
 H    3.9435904   18.8747480    0.5943431  0.00    0.0003249    0.0001834    0.0014695
 H    2.6463963   17.9172920   -0.1269913  0.00   -0.0036419    0.0009063   -0.0024869
 H    3.6280445   17.2325947    1.1716270  0.00    0.0030117   -0.0010297    0.0023384
 C   -0.1901420   16.9661535    7.1158662  0.00    0.0007722    0.0019787   -0.0017256
 H    0.6627753   17.5074919    7.5609327  0.00    0.0004015   -0.0006333   -0.0020527
 H   -1.0929151   17.4330446    7.5458984  0.00   -0.0003449   -0.0002029   -0.0016479
 C    1.4372264   14.3293483    7.2770997  0.00   -0.0000176    0.0007033   -0.0002016
 H    1.5502218   14.2881818    6.1906309  0.00    0.0008374    0.0000773   -0.0001386
 H    1.4124941   13.2991468    7.6447764  0.00    0.0008475    0.0001082   -0.0002732
 H    2.3352613   14.7946622    7.6907516  0.00    0.0004320    0.0008132   -0.0018901
 C   -0.1311948   15.3005725    9.6975534  0.00   -0.0004463    0.0016396    0.0044530
 H    0.7306981   15.8566070   10.0759960  0.00    0.0007571    0.0021340   -0.0001764
 H   -0.0955589   14.2991320   10.1352539  0.00   -0.0000187   -0.0049194   -0.0000239
 H   -1.0324678   15.7926975   10.0726744  0.00   -0.0012245    0.0018378    0.0001777
 C   -1.6129044   14.2174390    7.2677413  0.00    0.0003778    0.0010385    0.0004163
 H   -2.5444403   14.6144269    7.6786424  0.00    0.0002167    0.0000924   -0.0014691
 H   -1.5142069   13.1906072    7.6322610  0.00   -0.0012838   -0.0005385   -0.0001357
 H   -1.7181320   14.1720191    6.1806122  0.00   -0.0001075   -0.0001504    0.0005728
129
 Energy =   -2867.2894721450
 O   -0.1331663   15.5624165    3.8315184  0.00    0.0008179    0.0011080    0.0008236
Th   -0.2010460   17.7694615    4.8663273  0.00    0.0000403    0.0007329    0.0031841
Si   -0.1241515   15.2157607    7.8248073  0.00    0.0001138    0.0009651    0.0008118
 N   -2.1741524   16.9617437    4.1956511  0.00    0.0023705   -0.0024237    0.0005635
 N    1.8204101   17.0672184    4.2272558  0.00   -0.0023073    0.0043701    0.0012916
 C   -2.5895453   13.1483771    2.5969470  0.00    0.0033944    0.0000269   -0.0011966
 H   -2.6491673   12.1510802    2.1858167  0.00   -0.0033440   -0.0024193   -0.0003857
 C   -3.7573617   13.8745533    2.7872414  0.00   -0.0024735    0.0017827    0.0023103
 C   -3.6662467   15.1667095    3.3199175  0.00   -0.0046152   -0.0034358   -0.0021664
 H   -4.5552826   15.7684192    3.4650558  0.00   -0.0034971   -0.0016380   -0.0014302
 C   -2.4369668   15.7052156    3.6589243  0.00    0.0045221   -0.0004128    0.0018628
 C    2.1590461   15.8375383    3.6738111  0.00    0.0059624   -0.0045920   -0.0011109
 C    3.4190169   15.3781616    3.3305021  0.00   -0.0019355    0.0040820    0.0023429
 H    4.2700931   16.0305206    3.4848321  0.00    0.0036401   -0.0026064   -0.0022605
 C    3.5881386   14.0962030    2.7925470  0.00    0.0021671   -0.0021996    0.0003034
 C    2.4662261   13.3014989    2.5989308  0.00    0.0007556   -0.0020131   -0.0023988
 H    2.5867369   12.3107153    2.1851110  0.00    0.0026763   -0.0005406    0.0001349
 C   -0.0504467   12.8462007    2.7034018  0.00   -0.0000757   -0.0000140    0.0005508
 C   -1.3237940   13.6536775    2.9169432  0.00   -0.0031811   -0.0033983   -0.0001798
 C   -1.3054711   14.9163575    3.4501107  0.00    0.0003534    0.0034985    0.0001284
 C    1.0763921   14.9857072    3.4552115  0.00   -0.0023936    0.0005847   -0.0007033
 C    1.1717401   13.7282671    2.9183105  0.00   -0.0001372    0.0004580    0.0006306
 C   -0.0153579   11.6879946    3.7135551  0.00    0.0000806   -0.0000218    0.0037344
 H   -0.0266305   12.0615959    4.7390516  0.00   -0.0003327   -0.0026084    0.0051646
 H    0.8879372   11.0895845    3.5779067  0.00   -0.0002520    0.0013273   -0.0011524
 H   -0.8805210   11.0357829    3.5777762  0.00   -0.0007077    0.0005678   -0.0006031
 C   -0.0328260   12.2801462    1.2776367  0.00    0.0002827    0.0030912   -0.0011390
 H   -0.8908221   11.6292577    1.1062735  0.00    0.0015547    0.0010647    0.0016353
 H    0.8634042   11.6827485    1.1070656  0.00   -0.0024039    0.0011096    0.0017227
 H   -0.0569081   13.0818208    0.5376626  0.00   -0.0002012   -0.0002063   -0.0050225
 C   -5.1306711   13.3106870    2.4259780  0.00    0.0002092   -0.0018103   -0.0002928
 C   -6.0193018   13.2883316    3.6754732  0.00   -0.0003446    0.0000211   -0.0026232
 H   -5.5755018   12.6721383    4.4613449  0.00   -0.0006363    0.0039594   -0.0015799
 H   -6.9988868   12.8703781    3.4306927  0.00   -0.0010430    0.0019825   -0.0007177
 H   -6.1818283   14.2892583    4.0808159  0.00    0.0030995    0.0005028   -0.0023500
 C   -5.7774477   14.1967948    1.3543382  0.00   -0.0011354   -0.0010047    0.0017044
 H   -5.9142196   15.2238174    1.6997858  0.00    0.0017580    0.0001999    0.0029344
 H   -6.7619510   13.8041023    1.0882161  0.00   -0.0011648    0.0016206    0.0002885
 H   -5.1680690   14.2225350    0.4473745  0.00   -0.0008724    0.0013123    0.0035407
 C   -5.0470405   11.8880949    1.8789561  0.00   -0.0013084   -0.0007376   -0.0000710
 H   -4.4579838   11.8369658    0.9598383  0.00   -0.0002989   -0.0006557    0.0017587
 H   -6.0516692   11.5320746    1.6423621  0.00   -0.0014331   -0.0003034   -0.0009784
 H   -4.6181119   11.1954413    2.6073331  0.00    0.0005179   -0.0008877   -0.0013033
 C    4.9941390   13.6139629    2.4384107  0.00    0.0004505   -0.0002858    0.0002548
 C    5.6073810   14.5517604    1.3915718  0.00    0.0009950   -0.0016555    0.0013613
 H    6.6126653   14.2129508    1.1291841  0.00    0.0009726    0.0019151    0.0008666
 H    5.6913548   15.5770420    1.7583848  0.00   -0.0020340    0.0000989    0.0028519
 H    5.0073072   14.5656004    0.4781525  0.00    0.0003750    0.0016068    0.0037333
 C    5.8657586   13.6168348    3.7002864  0.00    0.0002744   -0.0004279   -0.0026209
 H    5.4468912   12.9604866    4.4670531  0.00    0.0003045    0.0040883   -0.0010258
 H    5.9641601   14.6169842    4.1277294  0.00   -0.0031075    0.0007688   -0.0021102
 H    6.8710056   13.2601760    3.4623564  0.00    0.0005580    0.0025381   -0.0009917
 C    4.9942875   12.1990623    1.8657771  0.00    0.0003535   -0.0008471   -0.0001455
 H    4.5999427   11.4704759    2.5784467  0.00   -0.0004346   -0.0010209   -0.0021743
 H    6.0189338   11.9039186    1.6313395  0.00    0.0016464   -0.0001505   -0.0006727
 H    4.4152515   12.1319156    0.9412963  0.00    0.0003429   -0.0009770    0.0020988
 C   -3.1599542   17.9880316    4.2660731  0.00    0.0059482    0.0062497    0.0013323
 C   -3.9308744   18.1677108    5.4388778  0.00    0.0001759   -0.0041364   -0.0009042
 C   -4.8524084   19.2096881    5.4763317  0.00   -0.0014586    0.0001927   -0.0008220
 H   -5.4567729   19.3501572    6.3649988  0.00    0.0046685    0.0000079   -0.0012075
 C   -5.0254594   20.0572131    4.3997651  0.00   -0.0048885   -0.0015837   -0.0026542
 H   -5.7576692   20.8548987    4.4473796  0.00    0.0028999    0.0022943    0.0020266
 C   -4.2659890   19.8830272    3.2571856  0.00    0.0024506   -0.0050446    0.0039780
 H   -4.4159701   20.5506835    2.4180727  0.00    0.0033004    0.0022463    0.0007313
 C   -3.3272460   18.8618094    3.1607174  0.00   -0.0043139    0.0004320    0.0023887
 C   -2.5746520   18.6817545    1.8577392  0.00   -0.0008923    0.0012476   -0.0018166
 H   -1.6612096   18.1079492    2.0669825  0.00   -0.0020622   -0.0004092    0.0001869
 C   -3.3961729   17.8588183    0.8625294  0.00    0.0007107   -0.0013582   -0.0006612
 H   -3.6495802   16.8760020    1.2592602  0.00   -0.0016485   -0.0014592   -0.0001779
 H   -2.8382639   17.7172659   -0.0659448  0.00    0.0019484    0.0019468   -0.0029207
 H   -4.3258407   18.3804277    0.6195595  0.00    0.0015250   -0.0006958    0.0021455
 C   -2.1672244   20.0051854    1.2171150  0.00   -0.0010288    0.0003849   -0.0000351
 H   -3.0328728   20.5499115    0.8356608  0.00   -0.0031714   -0.0001855    0.0015668
 H   -1.5114357   19.8211778    0.3649585  0.00   -0.0002426   -0.0000196   -0.0014459
 H   -1.6443730   20.6641067    1.9143710  0.00   -0.0001862   -0.0005160    0.0011866
 C   -3.8360444   17.2426828    6.6318378  0.00   -0.0031495    0.0024232   -0.0004850
 H   -2.9588501   16.6079883    6.4915710  0.00   -0.0026801   -0.0018906   -0.0027412
 C   -5.0556087   16.3234556    6.7100018  0.00    0.0004732   -0.0021085   -0.0007326
 H   -5.9769678   16.9020423    6.8153500  0.00    0.0021729    0.0011190   -0.0010516
 H   -4.9770921   15.6623357    7.5762979  0.00    0.0001830   -0.0012320    0.0009358
 H   -5.1440654   15.6987547    5.8207933  0.00   -0.0043716   -0.0021440   -0.0009444
 C   -3.6738170   18.0046646    7.9463404  0.00   -0.0004507   -0.0001702    0.0001394
 H   -2.8689104   18.7430804    7.9031523  0.00   -0.0010307   -0.0001732    0.0014535
 H   -3.4523403   17.3099649    8.7599473  0.00   -0.0019966    0.0000334    0.0004280
 H   -4.5871298   18.5371183    8.2202937  0.00   -0.0032294    0.0015929   -0.0029360
 C    2.7262055   18.1644328    4.2807172  0.00   -0.0083985   -0.0007493    0.0025742
 C    2.8566861   19.0054389    3.1473883  0.00    0.0014273   -0.0021634   -0.0015418
 C    3.6968996   20.1098960    3.2305165  0.00    0.0000132    0.0010146    0.0017788
 H    3.8178716   20.7538203    2.3672366  0.00   -0.0040271   -0.0010670    0.0033845
 C    4.3942703   20.3958664    4.3898868  0.00    0.0030297   -0.0029847   -0.0013935
 H    5.0479849   21.2591731    4.4306861  0.00   -0.0010666    0.0044710    0.0016451
 C    4.2657460   19.5717755    5.4917563  0.00   -0.0003007   -0.0012382   -0.0025937
 H    4.8291703   19.7958420    6.3900214  0.00   -0.0042884   -0.0003980   -0.0014130
 C    3.4470838   18.4467771    5.4653988  0.00    0.0028568   -0.0010421   -0.0032547
 C    3.4215868   17.5347365    6.6716835  0.00    0.0017819    0.0006454   -0.0018415
 H    2.5944032   16.8342010    6.5406523  0.00    0.0031504   -0.0007852   -0.0020960
 C    4.7068428   16.7089340    6.7480634  0.00    0.0003731   -0.0027453   -0.0004096
 H    4.8367955   16.0883671    5.8607661  0.00    0.0040118   -0.0022324   -0.0003848
 H    4.6825524   16.0482600    7.6178343  0.00   -0.0002867   -0.0015779    0.0015472
 H    5.5828347   17.3554674    6.8443478  0.00   -0.0011803    0.0021544   -0.0003558
 C    3.2081186   18.2919364    7.9805558  0.00   -0.0002657   -0.0003478    0.0001562
 H    4.0763329   18.8997689    8.2438457  0.00    0.0028214    0.0024932   -0.0019760
 H    3.0512721   17.5873708    8.8006125  0.00    0.0007278    0.0009615    0.0011857
 H    2.3436798   18.9600408    7.9392434  0.00    0.0026676    0.0011052    0.0008137
 C    2.1666938   18.7116222    1.8319369  0.00    0.0014413    0.0004225   -0.0003711
 H    1.4116093   17.9366316    2.0086410  0.00    0.0012622   -0.0003134    0.0008742
 C    1.4637117   19.9378058    1.2578338  0.00    0.0011677    0.0007952   -0.0002801
 H    0.7754759   20.3936925    1.9744460  0.00   -0.0017061   -0.0012851   -0.0006643
 H    0.8946393   19.6638997    0.3676773  0.00    0.0008977   -0.0002925   -0.0011206
 H    2.1763194   20.7083837    0.9579133  0.00    0.0041163    0.0008042    0.0007957
 C    3.1562637   18.1455644    0.8121398  0.00   -0.0001578   -0.0011120   -0.0015728
 H    3.9435350   18.8722239    0.5955989  0.00   -0.0005603   -0.0001248    0.0015731
 H    2.6456566   17.9153659   -0.1256794  0.00   -0.0026342    0.0005187   -0.0028396
 H    3.6262399   17.2306527    1.1739889  0.00    0.0027492   -0.0003357    0.0016593
 C   -0.1902447   16.9654400    7.1155749  0.00   -0.0001626    0.0032844   -0.0004187
 H    0.6626868   17.5075574    7.5595802  0.00    0.0005529   -0.0004820   -0.0003022
 H   -1.0933071   17.4328522    7.5444559  0.00    0.0002338   -0.0001879   -0.0001962
 C    1.4371903   14.3292667    7.2786455  0.00   -0.0000074    0.0011213    0.0000880
 H    1.5500418   14.2878568    6.1921425  0.00    0.0008107    0.0002819    0.0001490
 H    1.4126224   13.2991310    7.6465192  0.00    0.0006804    0.0001493   -0.0002168
 H    2.3352539   14.7947579    7.6920906  0.00    0.0002907    0.0006279   -0.0020052
 C   -0.1313225   15.3021759    9.6988260  0.00   -0.0000451   -0.0015644    0.0033874
 H    0.7306723   15.8583442   10.0768216  0.00    0.0005974    0.0019925    0.0001552
 H   -0.0956866   14.3006933   10.1367342  0.00   -0.0000949   -0.0027490   -0.0000067
 H   -1.0326263   15.7944646   10.0735690  0.00   -0.0013864    0.0018545    0.0005947
 C   -1.6127838   14.2171925    7.2691761  0.00    0.0004511    0.0004590    0.0005937
 H   -2.5444468   14.6140536    7.6798424  0.00   -0.0001554    0.0002954   -0.0012887
 H   -1.5140312   13.1903725    7.6337931  0.00   -0.0012261   -0.0000744   -0.0001670
 H   -1.7178045   14.1715931    6.1820221  0.00   -0.0000933    0.0000377    0.0006620
129
 Energy =   -2867.2894757200
 O   -0.1330754   15.5627504    3.8317549  0.00   -0.0011085    0.0003292    0.0005821
Th   -0.2011074   17.7696250    4.8672362  0.00    0.0011609    0.0014021    0.0014282
Si   -0.1240701   15.2153305    7.8241571  0.00    0.0006377   -0.0000917    0.0009040
 N   -2.1740440   16.9616993    4.1962772  0.00    0.0010262    0.0019104   -0.0003269
 N    1.8203474   17.0676581    4.2275832  0.00   -0.0040009   -0.0064863   -0.0015378
 C   -2.5894713   13.1484824    2.5972830  0.00   -0.0047684   -0.0024109   -0.0012932
 H   -2.6497422   12.1508922    2.1864762  0.00   -0.0017757    0.0005059    0.0004035
 C   -3.7575155   13.8747993    2.7877771  0.00    0.0038273   -0.0046562   -0.0015821
 C   -3.6662125   15.1665688    3.3201983  0.00   -0.0004227    0.0065324    0.0030488
 H   -4.5553454   15.7683025    3.4652605  0.00   -0.0022277   -0.0017092   -0.0011960
 C   -2.4366512   15.7053890    3.6594666  0.00   -0.0055554   -0.0036423   -0.0018795
 C    2.1590994   15.8375889    3.6741531  0.00    0.0006432    0.0027289    0.0017730
 C    3.4189820   15.3785109    3.3309072  0.00   -0.0030354   -0.0049525   -0.0012737
 H    4.2701723   16.0303885    3.4847159  0.00    0.0061400    0.0011434   -0.0007328
 C    3.5881845   14.0962963    2.7929134  0.00    0.0010754    0.0025307    0.0012060
 C    2.4664705   13.3014926    2.5991080  0.00   -0.0039561    0.0049626    0.0021130
 H    2.5872289   12.3108324    2.1857164  0.00    0.0023723   -0.0044470   -0.0018502
 C   -0.0504235   12.8465606    2.7035727  0.00   -0.0013001   -0.0009114    0.0001858
 C   -1.3239852   13.6537676    2.9171408  0.00    0.0024058    0.0026950    0.0012398
 C   -1.3054742   14.9166866    3.4504623  0.00    0.0029258   -0.0040542   -0.0009081
 C    1.0762615   14.9858966    3.4554661  0.00    0.0035733    0.0004611   -0.0001062
 C    1.1717647   13.7285644    2.9185232  0.00    0.0013807   -0.0024639   -0.0017248
 C   -0.0153551   11.6882842    3.7139390  0.00   -0.0013111    0.0015994    0.0025940
 H   -0.0266679   12.0618400    4.7396134  0.00   -0.0001626   -0.0029784    0.0023808
 H    0.8880190   11.0901102    3.5780701  0.00   -0.0002430    0.0002911   -0.0006224
 H   -0.8807095   11.0362162    3.5780145  0.00    0.0009609    0.0008719   -0.0002266
 C   -0.0328184   12.2806954    1.2775894  0.00   -0.0013790    0.0033301    0.0003235
 H   -0.8908695   11.6298576    1.1062979  0.00    0.0016609    0.0008074    0.0016549
 H    0.8633087   11.6833382    1.1071077  0.00   -0.0007193   -0.0001879    0.0012513
 H   -0.0569432   13.0821370    0.5372509  0.00   -0.0000527   -0.0001547   -0.0030134
 C   -5.1307748   13.3111008    2.4265776  0.00   -0.0009160   -0.0022472   -0.0008700
 C   -6.0192713   13.2895378    3.6758872  0.00   -0.0000628    0.0018834    0.0000833
 H   -5.5759962   12.6733919    4.4619755  0.00   -0.0003733    0.0028504   -0.0006511
 H   -6.9992044   12.8727004    3.4312527  0.00   -0.0028307    0.0003051   -0.0011112
 H   -6.1807219   14.2908335    4.0808095  0.00    0.0023750   -0.0001352   -0.0019491
 C   -5.7777347   14.1975555    1.3555183  0.00    0.0001598    0.0021555    0.0020783
 H   -5.9137769   15.2245202    1.7017129  0.00    0.0015409   -0.0009947    0.0016023
 H   -6.7625511   13.8056441    1.0898948  0.00   -0.0025155    0.0002751   -0.0003653
 H   -5.1688247   14.2234669    0.4483539  0.00   -0.0002960    0.0014895    0.0021512
 C   -5.0477346   11.8884301    1.8796051  0.00   -0.0017650   -0.0004698    0.0005085
 H   -4.4588548   11.8369725    0.9604988  0.00    0.0005367   -0.0003853    0.0004612
 H   -6.0525261   11.5327479    1.6430984  0.00   -0.0012568   -0.0001875   -0.0008092
 H   -4.6189731   11.1955702    2.6078625  0.00    0.0005517   -0.0007713   -0.0007477
 C    4.9942428   13.6144878    2.4390109  0.00    0.0005469   -0.0029046   -0.0009847
 C    5.6076298   14.5526177    1.3927926  0.00    0.0002776    0.0024864    0.0023705
 H    6.6132592   14.2146849    1.1309989  0.00    0.0019183    0.0006434    0.0001207
 H    5.6908320   15.5778192    1.7603985  0.00   -0.0017846   -0.0015771    0.0012351
 H    5.0080052   14.5666958    0.4792188  0.00   -0.0002171    0.0016874    0.0019543
 C    5.8656544   13.6180166    3.7007214  0.00    0.0004120    0.0026245    0.0002940
 H    5.4473684   12.9616887    4.4676893  0.00    0.0000234    0.0028756   -0.0001138
 H    5.9629747   14.6185080    4.1278033  0.00   -0.0024894   -0.0006204   -0.0019643
 H    6.8712343   13.2626086    3.4628909  0.00    0.0020137    0.0009407   -0.0012803
 C    4.9949337   12.1995117    1.8663016  0.00    0.0022907   -0.0001342    0.0005327
 H    4.6007159   11.4706175    2.5786779  0.00   -0.0005981   -0.0008507   -0.0011881
 H    6.0197690   11.9046853    1.6320117  0.00    0.0008800    0.0001350   -0.0004891
 H    4.4161670   12.1321443    0.9417968  0.00   -0.0006346   -0.0006404    0.0004851
 C   -3.1604227   17.9877030    4.2659373  0.00    0.0034338   -0.0048392    0.0059245
 C   -3.9318096   18.1667284    5.4384744  0.00   -0.0061014    0.0063062   -0.0035143
 C   -4.8546501   19.2079925    5.4750798  0.00    0.0036066   -0.0046145   -0.0027095
 H   -5.4586236   19.3483903    6.3637818  0.00    0.0020054    0.0007731    0.0011056
 C   -5.0285041   20.0547888    4.3980749  0.00   -0.0003153   -0.0012956    0.0004990
 H   -5.7605199   20.8526542    4.4458604  0.00    0.0025639    0.0014745    0.0008937
 C   -4.2688167   19.8800253    3.2556874  0.00   -0.0031851    0.0050047    0.0007341
 H   -4.4192062   20.5474716    2.4160924  0.00    0.0041787   -0.0014610    0.0042869
 C   -3.3291340   18.8599885    3.1601226  0.00    0.0012814    0.0015831   -0.0050253
 C   -2.5763934   18.6799965    1.8570003  0.00   -0.0003689   -0.0004346    0.0025627
 H   -1.6640744   18.1044761    2.0662036  0.00   -0.0013281    0.0004338   -0.0000792
 C   -3.3986727   17.8597076    0.8603328  0.00    0.0020714   -0.0038877   -0.0001249
 H   -3.6536932   16.8764190    1.2552441  0.00   -0.0001417    0.0004894   -0.0002075
 H   -2.8404219   17.7192492   -0.0682355  0.00    0.0002479    0.0014459   -0.0015059
 H   -4.3274445   18.3830602    0.6181836  0.00   -0.0002921   -0.0006809    0.0007437
 C   -2.1669575   20.0036005    1.2185284  0.00   -0.0011828    0.0016373   -0.0039008
 H   -3.0320596   20.5501619    0.8384419  0.00   -0.0027576   -0.0003742    0.0010224
 H   -1.5117224   19.8202143    0.3656682  0.00   -0.0010955    0.0001452    0.0002501
 H   -1.6430660   20.6605308    1.9167861  0.00    0.0000779    0.0008532    0.0012413
 C   -3.8365348   17.2430092    6.6320120  0.00    0.0062238   -0.0066300   -0.0022040
 H   -2.9588832   16.6083218    6.4915183  0.00   -0.0070901    0.0015140   -0.0007121
 C   -5.0554128   16.3232319    6.7119010  0.00   -0.0016636   -0.0024719   -0.0012128
 H   -5.9765893   16.9020020    6.8174638  0.00    0.0007647    0.0005328   -0.0007494
 H   -4.9759525   15.6632416    7.5790324  0.00   -0.0003246   -0.0011134   -0.0000090
 H   -5.1449416   15.6973197    5.8235237  0.00   -0.0030536   -0.0002648   -0.0001450
 C   -3.6741079   18.0062706    7.9455120  0.00   -0.0031066    0.0007711    0.0034271
 H   -2.8690901   18.7444658    7.9018496  0.00   -0.0000176    0.0001186    0.0013376
 H   -3.4536275   17.3127429    8.7604469  0.00   -0.0015672   -0.0000636   -0.0010224
 H   -4.5874487   18.5395311    8.2180599  0.00   -0.0023948    0.0012026   -0.0022205
 C    2.7266524   18.1638964    4.2806528  0.00    0.0012815    0.0058917   -0.0021342
 C    2.8583378   19.0044200    3.1469013  0.00    0.0028116    0.0000829    0.0038031
 C    3.6997339   20.1082796    3.2298739  0.00   -0.0041062   -0.0057991    0.0027024
 H    3.8206541   20.7519253    2.3667163  0.00   -0.0028111    0.0018137   -0.0002499
 C    4.3973043   20.3938613    4.3890988  0.00    0.0026042    0.0032299   -0.0007698
 H    5.0508865   21.2575280    4.4303192  0.00   -0.0025312    0.0008675    0.0009634
 C    4.2682359   19.5697581    5.4907564  0.00    0.0029773    0.0020193    0.0015310
 H    4.8315114   19.7935352    6.3892500  0.00   -0.0040587   -0.0003587   -0.0025284
 C    3.4485486   18.4458176    5.4647878  0.00   -0.0017567   -0.0066561   -0.0003807
 C    3.4221849   17.5342065    6.6715593  0.00   -0.0001809   -0.0003226   -0.0037638
 H    2.5947537   16.8339337    6.5402313  0.00    0.0035832    0.0001113   -0.0012367
 C    4.7069266   16.7077641    6.7497039  0.00    0.0024770    0.0008938   -0.0001832
 H    4.8379096   16.0860744    5.8633316  0.00    0.0030088   -0.0012825   -0.0006636
 H    4.6814825   16.0482691    7.6203478  0.00    0.0005581   -0.0018371    0.0010653
 H    5.5828583   17.3545897    6.8461533  0.00   -0.0021278   -0.0001372   -0.0001803
 C    3.2083678   18.2926587    7.9796325  0.00    0.0061900    0.0009669    0.0011990
 H    4.0769576   18.9006143    8.2422302  0.00    0.0006254    0.0007107   -0.0023739
 H    3.0513994   17.5893966    8.8006984  0.00    0.0002257   -0.0002204    0.0011901
 H    2.3446726   18.9613647    7.9374197  0.00   -0.0006183    0.0019853    0.0008549
 C    2.1682577   18.7110468    1.8316221  0.00   -0.0003081   -0.0004032   -0.0006126
 H    1.4141143   17.9351300    2.0080975  0.00    0.0010156   -0.0000465    0.0003858
 C    1.4638978   19.9372508    1.2594379  0.00    0.0025764    0.0003489   -0.0028008
 H    0.7745884   20.3907734    1.9763446  0.00   -0.0022728    0.0003436    0.0004046
 H    0.8958832   19.6644501    0.3682666  0.00    0.0006207   -0.0004551   -0.0009457
 H    2.1760204   20.7091227    0.9617525  0.00    0.0036692    0.0011200   -0.0000505
 C    3.1578229   18.1473897    0.8104498  0.00   -0.0004430   -0.0033009    0.0002059
 H    3.9438333   18.8754675    0.5942592  0.00    0.0001034   -0.0003502    0.0006990
 H    2.6464273   17.9177180   -0.1271461  0.00   -0.0009511    0.0001212   -0.0021274
 H    3.6295932   17.2326962    1.1710027  0.00    0.0006901    0.0015443    0.0008595
 C   -0.1900127   16.9653716    7.1157782  0.00   -0.0006720   -0.0000133   -0.0001920
 H    0.6631471   17.5073900    7.5592666  0.00    0.0012163    0.0003486    0.0005133
 H   -1.0930941   17.4330039    7.5443211  0.00   -0.0001535    0.0002479    0.0003974
 C    1.4372766   14.3293994    7.2768193  0.00    0.0001472    0.0003813   -0.0004560
 H    1.5499235   14.2883972    6.1902235  0.00   -0.0000663    0.0005639    0.0010853
 H    1.4132951   13.2990362    7.6441454  0.00    0.0004192    0.0004756    0.0000833
 H    2.3354589   14.7948710    7.6899533  0.00    0.0004723    0.0009316   -0.0014633
 C   -0.1311885   15.3000678    9.6983923  0.00   -0.0008154    0.0018019    0.0015415
 H    0.7308710   15.8562354   10.0765408  0.00   -0.0009333    0.0006135    0.0001869
 H   -0.0955457   14.2981443   10.1352410  0.00   -0.0000327   -0.0023781    0.0007885
 H   -1.0327130   15.7922499   10.0732024  0.00    0.0009308    0.0003347    0.0003494
 C   -1.6128251   14.2174071    7.2676214  0.00   -0.0008220    0.0015501   -0.0010002
 H   -2.5444962   14.6145785    7.6779898  0.00   -0.0001000    0.0003269   -0.0009640
 H   -1.5149943   13.1904133    7.6317335  0.00   -0.0004785   -0.0012139    0.0006954
 H   -1.7177642   14.1722107    6.1803650  0.00    0.0007149    0.0003336    0.0017728
129
 Energy =   -2867.2894834310
 O   -0.1331142   15.5630887    3.8320051  0.00    0.0004693   -0.0025386    0.0000055
Th   -0.2011890   17.7697795    4.8683338  0.00    0.0016247    0.0005054   -0.0057737
Si   -0.1240763   15.2152513    7.8252427  0.00    0.0007535   -0.0008865   -0.0002606
 N   -2.1738085   16.9619721    4.1964479  0.00    0.0008930   -0.0023957   -0.0007170
 N    1.8199648   17.0675826    4.2279013  0.00   -0.0001771    0.0033542   -0.0008841
 C   -2.5895405   13.1484951    2.5973279  0.00    0.0024585    0.0019720    0.0018633
 H   -2.6499162   12.1508762    2.1869833  0.00   -0.0010401   -0.0012627   -0.0010128
 C   -3.7572987   13.8747720    2.7878426  0.00   -0.0008643    0.0036622    0.0001012
 C   -3.6661950   15.1669603    3.3203850  0.00    0.0007716   -0.0057899   -0.0016994
 H   -4.5553914   15.7683060    3.4649160  0.00   -0.0047543    0.0009974   -0.0000342
 C   -2.4367351   15.7054819    3.6596671  0.00    0.0004299    0.0008889    0.0002118
 C    2.1589681   15.8378110    3.6745894  0.00    0.0023307   -0.0029220   -0.0019962
 C    3.4187822   15.3784875    3.3310705  0.00    0.0023473    0.0043972    0.0013893
 H    4.2703441   16.0304413    3.4844855  0.00    0.0017890   -0.0013901   -0.0007748
 C    3.5880439   14.0965702    2.7930800  0.00   -0.0009013   -0.0026141   -0.0011398
 C    2.4662530   13.3017936    2.5992588  0.00   -0.0001153   -0.0014758   -0.0004982
 H    2.5872827   12.3107993    2.1860558  0.00    0.0012816   -0.0001672   -0.0005910
 C   -0.0504732   12.8466304    2.7035546  0.00   -0.0016403    0.0019166    0.0011398
 C   -1.3238805   13.6540920    2.9172849  0.00   -0.0005375   -0.0048031   -0.0009057
 C   -1.3052892   14.9167812    3.4507232  0.00   -0.0019022    0.0010441   -0.0005901
 C    1.0762786   14.9860945    3.4557199  0.00   -0.0005283   -0.0012585   -0.0009562
 C    1.1716551   13.7286659    2.9185104  0.00    0.0005551    0.0019273    0.0019697
 C   -0.0154741   11.6883324    3.7141859  0.00    0.0000069    0.0023239    0.0000919
 H   -0.0267636   12.0617122    4.7400749  0.00   -0.0001660   -0.0030716   -0.0002549
 H    0.8880874   11.0903435    3.5779232  0.00   -0.0020920    0.0003872    0.0004291
 H   -0.8809180   11.0364110    3.5779138  0.00    0.0017356    0.0005329    0.0005032
 C   -0.0328990   12.2809177    1.2774238  0.00    0.0000271    0.0015861    0.0003733
 H   -0.8907908   11.6299337    1.1063609  0.00    0.0004416    0.0000833    0.0012928
 H    0.8631954   11.6833797    1.1071789  0.00   -0.0009717    0.0001028    0.0011706
 H   -0.0569726   13.0817461    0.5362490  0.00   -0.0001083    0.0001722    0.0003246
 C   -5.1305256   13.3111221    2.4263508  0.00    0.0004219   -0.0013171   -0.0001186
 C   -6.0191409   13.2894529    3.6752895  0.00   -0.0021135    0.0001591    0.0001440
 H   -5.5759093   12.6735151    4.4613566  0.00    0.0002593    0.0011993    0.0012225
 H   -6.9989046   12.8723391    3.4303309  0.00   -0.0026134    0.0006355   -0.0004922
 H   -6.1809314   14.2905090    4.0802370  0.00    0.0020878    0.0024437   -0.0013259
 C   -5.7776143   14.1975140    1.3554782  0.00   -0.0014599   -0.0000384    0.0005423
 H   -5.9139874   15.2243446    1.7015905  0.00    0.0015272    0.0006366    0.0024039
 H   -6.7623585   13.8052399    1.0897222  0.00   -0.0012089    0.0011197    0.0001438
 H   -5.1687266   14.2235153    0.4484273  0.00    0.0005370    0.0018182    0.0004702
 C   -5.0473327   11.8885432    1.8794659  0.00   -0.0012680   -0.0012662   -0.0004313
 H   -4.4583174   11.8370591    0.9604491  0.00    0.0002804   -0.0002861    0.0002045
 H   -6.0521072   11.5329593    1.6428761  0.00   -0.0014090   -0.0008399   -0.0008925
 H   -4.6184863   11.1956910    2.6076831  0.00    0.0000252   -0.0007182   -0.0005749
 C    4.9938928   13.6144509    2.4388325  0.00    0.0012390    0.0000235    0.0004031
 C    5.6074893   14.5525283    1.3927769  0.00    0.0010470   -0.0003630    0.0004073
 H    6.6130618   14.2142241    1.1308946  0.00    0.0006763    0.0013202    0.0004100
 H    5.6910130   15.5775974    1.7602488  0.00   -0.0018558    0.0004130    0.0023315
 H    5.0077922   14.5666639    0.4793240  0.00   -0.0003976    0.0020097    0.0007419
 C    5.8655230   13.6180084    3.7001992  0.00    0.0017451   -0.0000959   -0.0000737
 H    5.4472613   12.9618805    4.4672039  0.00   -0.0001501    0.0016187    0.0012342
 H    5.9631930   14.6182847    4.1272281  0.00   -0.0024241    0.0022729   -0.0011353
 H    6.8709468   13.2623394    3.4619870  0.00    0.0017855    0.0011396   -0.0005742
 C    4.9945256   12.1995707    1.8662292  0.00    0.0006755   -0.0012648   -0.0004823
 H    4.6002262   11.4705887    2.5784762  0.00   -0.0000947   -0.0006151   -0.0007417
 H    6.0193286   11.9048514    1.6318772  0.00    0.0013345   -0.0003733   -0.0006397
 H    4.4156055   12.1320943    0.9418188  0.00   -0.0002254   -0.0003707    0.0002234
 C   -3.1598689   17.9879992    4.2662369  0.00    0.0001541    0.0000417   -0.0002989
 C   -3.9316928   18.1669226    5.4383362  0.00   -0.0015512   -0.0014617    0.0000834
 C   -4.8540510   19.2081949    5.4751744  0.00    0.0012594    0.0016792   -0.0001543
 H   -5.4576745   19.3485726    6.3640251  0.00    0.0009275    0.0008948    0.0017010
 C   -5.0272714   20.0560319    4.3989334  0.00   -0.0006584   -0.0031106   -0.0024858
 H   -5.7580144   20.8550412    4.4475489  0.00    0.0015411   -0.0002015    0.0002722
 C   -4.2680695   19.8810103    3.2562100  0.00    0.0020824    0.0002758    0.0069591
 H   -4.4177489   20.5487901    2.4172164  0.00    0.0026966    0.0019292   -0.0006176
 C   -3.3284511   18.8606668    3.1604535  0.00   -0.0025734    0.0007242   -0.0017988
 C   -2.5759587   18.6804041    1.8573757  0.00   -0.0019517    0.0010135   -0.0001855
 H   -1.6634014   18.1057158    2.0668454  0.00    0.0017041   -0.0010283    0.0001190
 C   -3.3976349   17.8587933    0.8611272  0.00    0.0012841    0.0002319   -0.0000224
 H   -3.6522104   16.8755632    1.2564083  0.00    0.0004328    0.0000123   -0.0004268
 H   -2.8390931   17.7188271   -0.0674045  0.00   -0.0008898    0.0004802   -0.0008589
 H   -4.3267599   18.3816770    0.6190114  0.00    0.0005572   -0.0014057    0.0002606
 C   -2.1679017   20.0040432    1.2177864  0.00   -0.0009458   -0.0006783    0.0002607
 H   -3.0339874   20.5490899    0.8379132  0.00   -0.0022505    0.0013049    0.0001403
 H   -1.5129125   19.8205785    0.3648194  0.00   -0.0003766    0.0005351   -0.0003815
 H   -1.6444419   20.6618723    1.9156786  0.00   -0.0004163   -0.0001094   -0.0002655
 C   -3.8367259   17.2422811    6.6313920  0.00   -0.0018757    0.0005167   -0.0017485
 H   -2.9596570   16.6076486    6.4904791  0.00   -0.0007608   -0.0021403   -0.0004330
 C   -5.0559613   16.3227785    6.7107195  0.00   -0.0004471   -0.0009486    0.0000937
 H   -5.9766591   16.9021295    6.8166569  0.00   -0.0005215    0.0002123   -0.0005996
 H   -4.9765379   15.6626063    7.5777275  0.00   -0.0008467   -0.0012955   -0.0003499
 H   -5.1461559   15.6972250    5.8221743  0.00   -0.0020108   -0.0002971   -0.0002273
 C   -3.6748636   18.0051550    7.9453761  0.00   -0.0017662    0.0001832   -0.0001385
 H   -2.8698783   18.7434854    7.9022281  0.00   -0.0004913   -0.0007775    0.0014855
 H   -3.4548854   17.3113732    8.7601446  0.00   -0.0011248   -0.0003316   -0.0000307
 H   -4.5883791   18.5383234    8.2172956  0.00   -0.0027388    0.0013551   -0.0013519
 C    2.7262106   18.1644040    4.2805859  0.00   -0.0035478   -0.0057830    0.0031785
 C    2.8578089   19.0047635    3.1470890  0.00   -0.0003304   -0.0039309   -0.0019819
 C    3.6988972   20.1084191    3.2302108  0.00   -0.0016500    0.0058860   -0.0027190
 H    3.8195416   20.7524628    2.3670685  0.00   -0.0031538   -0.0005235    0.0018804
 C    4.3960459   20.3949078    4.3894241  0.00    0.0039364    0.0002325   -0.0001505
 H    5.0485136   21.2594288    4.4313104  0.00   -0.0020874   -0.0005245   -0.0004734
 C    4.2676221   19.5702495    5.4906097  0.00   -0.0040424   -0.0027173    0.0027486
 H    4.8301470   19.7940204    6.3892429  0.00   -0.0006698    0.0008347    0.0008572
 C    3.4480619   18.4458652    5.4646270  0.00    0.0049548    0.0016159   -0.0016751
 C    3.4224852   17.5339779    6.6709898  0.00    0.0014967   -0.0010206   -0.0007240
 H    2.5954346   16.8334750    6.5395234  0.00    0.0016030   -0.0007586   -0.0003053
 C    4.7075664   16.7077817    6.7488316  0.00   -0.0004819   -0.0008569   -0.0001769
 H    4.8391512   16.0863208    5.8622393  0.00    0.0020947    0.0001026    0.0009673
 H    4.6819519   16.0479413    7.6193916  0.00    0.0013012   -0.0001542   -0.0008649
 H    5.5828526   17.3551847    6.8456822  0.00    0.0004684    0.0000127    0.0001015
 C    3.2092792   18.2920646    7.9795443  0.00    0.0009083    0.0001231   -0.0007951
 H    4.0776578   18.9002799    8.2413955  0.00    0.0033667    0.0018915   -0.0010839
 H    3.0530629   17.5886777    8.8007482  0.00    0.0001965    0.0004851   -0.0000798
 H    2.3453471   18.9607358    7.9380210  0.00    0.0009408    0.0002681    0.0007225
 C    2.1678991   18.7108495    1.8316252  0.00    0.0039177    0.0014555    0.0015583
 H    1.4135435   17.9354343    2.0086598  0.00   -0.0006364   -0.0013491   -0.0002111
 C    1.4645851   19.9372026    1.2584977  0.00    0.0008487   -0.0007076   -0.0001896
 H    0.7752721   20.3916814    1.9750478  0.00   -0.0004041   -0.0006996   -0.0014516
 H    0.8966437   19.6640343    0.3674129  0.00    0.0003909    0.0002596   -0.0015570
 H    2.1777383   20.7080101    0.9605919  0.00    0.0024096    0.0022540   -0.0003458
 C    3.1575604   18.1461059    0.8109523  0.00   -0.0022034    0.0002603   -0.0001322
 H    3.9438795   18.8740009    0.5947630  0.00   -0.0011576   -0.0015422    0.0004883
 H    2.6457347   17.9166874   -0.1266173  0.00    0.0013720   -0.0005096   -0.0007080
 H    3.6290258   17.2314833    1.1720419  0.00    0.0001659    0.0011328    0.0001367
 C   -0.1900700   16.9647857    7.1156727  0.00   -0.0001445   -0.0000737    0.0022546
 H    0.6632459   17.5073370    7.5582492  0.00    0.0006848    0.0003196    0.0017721
 H   -1.0933613   17.4328026    7.5432764  0.00   -0.0001675    0.0006131    0.0019478
 C    1.4373139   14.3293782    7.2776301  0.00    0.0002037    0.0002313    0.0007194
 H    1.5497280   14.2883397    6.1910353  0.00   -0.0004030    0.0007219    0.0005367
 H    1.4137760   13.2989660    7.6449459  0.00    0.0001524    0.0010523    0.0001373
 H    2.3355623   14.7950846    7.6903607  0.00    0.0004384    0.0007902   -0.0010797
 C   -0.1312869   15.3007963    9.6996200  0.00    0.0000024   -0.0020165   -0.0010104
 H    0.7308707   15.8572251   10.0772094  0.00   -0.0013934   -0.0001217    0.0008941
 H   -0.0956258   14.2986127   10.1364928  0.00   -0.0001844    0.0019764    0.0000920
 H   -1.0328804   15.7932186   10.0738762  0.00    0.0008747   -0.0000628    0.0011970
 C   -1.6127668   14.2172809    7.2684120  0.00   -0.0000268   -0.0005430    0.0011053
 H   -2.5445154   14.6144842    7.6784159  0.00   -0.0009144    0.0007540   -0.0003525
 H   -1.5153131   13.1901071    7.6324638  0.00   -0.0002111    0.0006582    0.0003902
 H   -1.7174221   14.1720649    6.1812109  0.00    0.0007988    0.0005623    0.0002505
129
 Energy =   -2867.2894961520
 O   -0.1332459   15.5627350    3.8324195  0.00    0.0005952   -0.0016647   -0.0001561
Th   -0.2012483   17.7693733    4.8690045  0.00    0.0009121    0.0010499   -0.0038924
Si   -0.1242269   15.2152995    7.8285607  0.00    0.0004247   -0.0008366   -0.0008045
 N   -2.1736742   16.9620470    4.1960421  0.00    0.0006171    0.0014869   -0.0010802
 N    1.8196505   17.0673185    4.2282981  0.00   -0.0002557    0.0002139   -0.0025789
 C   -2.5897622   13.1486316    2.5975139  0.00    0.0015859   -0.0034530   -0.0009380
 H   -2.6505541   12.1508385    2.1873272  0.00   -0.0003349    0.0005152   -0.0005698
 C   -3.7574776   13.8750248    2.7876066  0.00   -0.0022180   -0.0031303   -0.0018975
 C   -3.6662785   15.1668425    3.3201599  0.00   -0.0026733    0.0069540    0.0022554
 H   -4.5554191   15.7688628    3.4644172  0.00   -0.0017270   -0.0025778   -0.0011831
 C   -2.4368258   15.7056254    3.6596782  0.00   -0.0008450   -0.0060199   -0.0021320
 C    2.1588339   15.8374754    3.6748500  0.00    0.0009466    0.0025931    0.0006475
 C    3.4186963   15.3785803    3.3311938  0.00    0.0019157   -0.0052714   -0.0023671
 H    4.2700142   16.0305631    3.4844171  0.00    0.0049793    0.0008200   -0.0003523
 C    3.5880969   14.0965422    2.7928421  0.00   -0.0040084   -0.0004681    0.0002570
 C    2.4660757   13.3016431    2.5993007  0.00    0.0043068    0.0034509    0.0008041
 H    2.5875043   12.3108269    2.1861655  0.00    0.0005458   -0.0025901   -0.0017058
 C   -0.0507212   12.8462305    2.7034871  0.00    0.0006272    0.0021220    0.0004368
 C   -1.3239882   13.6537303    2.9173559  0.00   -0.0013968    0.0026381    0.0012229
 C   -1.3054429   14.9166234    3.4509602  0.00   -0.0014326   -0.0030593   -0.0014659
 C    1.0761184   14.9857988    3.4561077  0.00    0.0005600   -0.0022190   -0.0009842
 C    1.1715308   13.7284417    2.9187282  0.00   -0.0017921   -0.0015236   -0.0005333
 C   -0.0157307   11.6873364    3.7132278  0.00    0.0009097    0.0021598    0.0013852
 H   -0.0270347   12.0595867    4.7394390  0.00   -0.0002099   -0.0027064    0.0009198
 H    0.8878571   11.0895265    3.5761756  0.00   -0.0024355    0.0003924    0.0010370
 H   -0.8811115   11.0355807    3.5760564  0.00    0.0013380    0.0000332    0.0010438
 C   -0.0330489   12.2794352    1.2777169  0.00    0.0011107    0.0029278    0.0003607
 H   -0.8908252   11.6281089    1.1073988  0.00    0.0000992    0.0003127    0.0013180
 H    0.8630985   11.6816022    1.1083303  0.00   -0.0017076    0.0009209    0.0012167
 H   -0.0570688   13.0792282    0.5354995  0.00   -0.0001347    0.0010277    0.0001808
 C   -5.1305754   13.3109611    2.4253883  0.00    0.0008365   -0.0005866   -0.0000840
 C   -6.0196532   13.2881983    3.6739810  0.00   -0.0018435    0.0000715    0.0000103
 H   -5.5753129   12.6729767    4.4600061  0.00   -0.0008446    0.0012147    0.0015898
 H   -6.9985529   12.8691627    3.4285358  0.00   -0.0018851    0.0015280    0.0003625
 H   -6.1833251   14.2889178    4.0790761  0.00    0.0022814    0.0023154   -0.0020182
 C   -5.7774564   14.1970042    1.3540695  0.00   -0.0008082   -0.0000195    0.0004213
 H   -5.9152188   15.2237406    1.6999864  0.00    0.0015371    0.0001133    0.0027029
 H   -6.7614795   13.8036159    1.0869859  0.00   -0.0002454    0.0018613    0.0006140
 H   -5.1672860   14.2235824    0.4478592  0.00   -0.0004227    0.0021117    0.0004572
 C   -5.0469744   11.8884123    1.8783314  0.00   -0.0007663   -0.0009521   -0.0006483
 H   -4.4577198   11.8369464    0.9594593  0.00    0.0002753   -0.0000656    0.0002279
 H   -6.0517234   11.5327901    1.6415022  0.00   -0.0006873   -0.0007235   -0.0008195
 H   -4.6182683   11.1956093    2.6066410  0.00    0.0000731   -0.0012506   -0.0002864
 C    4.9938836   13.6142460    2.4379929  0.00    0.0006081   -0.0004421    0.0000998
 C    5.6072408   14.5518970    1.3913898  0.00    0.0004871   -0.0007526    0.0000225
 H    6.6121228   14.2124273    1.1280783  0.00   -0.0002764    0.0018932    0.0009070
 H    5.6922801   15.5769456    1.7585647  0.00   -0.0020017    0.0003799    0.0028602
 H    5.0061474   14.5664369    0.4788347  0.00    0.0004900    0.0024668    0.0005193
 C    5.8659413   13.6170263    3.6990492  0.00    0.0017840   -0.0004841   -0.0000821
 H    5.4465045   12.9616799    4.4660857  0.00    0.0008613    0.0016110    0.0018266
 H    5.9654806   14.6171293    4.1260599  0.00   -0.0027279    0.0025606   -0.0016500
 H    6.8706590   13.2594088    3.4605047  0.00    0.0011000    0.0018351    0.0000458
 C    4.9943227   12.1992775    1.8653643  0.00   -0.0001842   -0.0009473   -0.0005806
 H    4.6003272   11.4703091    2.5777837  0.00   -0.0001618   -0.0007869   -0.0006193
 H    6.0191171   11.9046310    1.6307171  0.00    0.0007260   -0.0001571   -0.0005116
 H    4.4151306   12.1316238    0.9411176  0.00   -0.0001872   -0.0001245    0.0004091
 C   -3.1586250   17.9891805    4.2665819  0.00    0.0010565    0.0009311   -0.0004040
 C   -3.9303799   18.1678155    5.4387634  0.00   -0.0019388   -0.0017611   -0.0031234
 C   -4.8510205   19.2105634    5.4768282  0.00   -0.0000401   -0.0002517    0.0005104
 H   -5.4547962   19.3502519    6.3656697  0.00    0.0008817    0.0017114    0.0021313
 C   -5.0227344   20.0602326    4.4018207  0.00    0.0015855   -0.0017357    0.0006551
 H   -5.7517283   20.8607056    4.4518195  0.00    0.0008163    0.0000659   -0.0000593
 C   -4.2634613   19.8857371    3.2591514  0.00    0.0027165    0.0007508    0.0027336
 H   -4.4119938   20.5549881    2.4210238  0.00    0.0033561    0.0012220    0.0011972
 C   -3.3254408   18.8640368    3.1620260  0.00   -0.0011849   -0.0022623    0.0001413
 C   -2.5733125   18.6833058    1.8588129  0.00   -0.0004695    0.0013451   -0.0003231
 H   -1.6581758   18.1123598    2.0686654  0.00   -0.0015526    0.0008437   -0.0006845
 C   -3.3938214   17.8565099    0.8659405  0.00    0.0007604   -0.0013926    0.0001192
 H   -3.6455660   16.8737114    1.2641510  0.00    0.0009682    0.0012189   -0.0008094
 H   -2.8362674   17.7153019   -0.0629212  0.00   -0.0003732    0.0010396   -0.0017017
 H   -4.3245182   18.3766823    0.6239285  0.00    0.0005470   -0.0022237   -0.0004885
 C   -2.1710512   20.0066150    1.2148009  0.00   -0.0017062   -0.0003104   -0.0007058
 H   -3.0399282   20.5468699    0.8341474  0.00   -0.0008541    0.0005083    0.0009301
 H   -1.5165554   19.8234017    0.3613815  0.00   -0.0000585   -0.0002465    0.0004146
 H   -1.6493926   20.6686382    1.9100315  0.00   -0.0001997    0.0002410   -0.0002844
 C   -3.8375557   17.2407882    6.6300213  0.00   -0.0008826   -0.0014455   -0.0000995
 H   -2.9605771   16.6057848    6.4890284  0.00   -0.0035696   -0.0011900    0.0000932
 C   -5.0581144   16.3227677    6.7056388  0.00   -0.0019365   -0.0001619   -0.0002155
 H   -5.9777959   16.9037299    6.8124313  0.00    0.0000623   -0.0008756   -0.0006840
 H   -4.9808615   15.6599591    7.5707680  0.00   -0.0001984   -0.0016286    0.0002387
 H   -5.1487560   15.7000909    5.8151594  0.00   -0.0019852   -0.0005403   -0.0000566
 C   -3.6772643   18.0010617    7.9457178  0.00   -0.0023941    0.0003672   -0.0001199
 H   -2.8725088   18.7396593    7.9042574  0.00    0.0001960    0.0000004    0.0030461
 H   -3.4581268   17.3062322    8.7598393  0.00   -0.0007267   -0.0008861   -0.0012983
 H   -4.5912928   18.5334847    8.2175353  0.00   -0.0021543    0.0015853   -0.0017812
 C    2.7246619   18.1650707    4.2809686  0.00   -0.0027939   -0.0025682    0.0000984
 C    2.8548604   19.0062076    3.1477397  0.00    0.0013270   -0.0026915   -0.0010880
 C    3.6946882   20.1110265    3.2310425  0.00   -0.0017463    0.0021146    0.0000148
 H    3.8148473   20.7554057    2.3681542  0.00   -0.0039529   -0.0001602    0.0012568
 C    4.3915216   20.3979992    4.3904432  0.00   -0.0002619    0.0010002    0.0002769
 H    5.0423065   21.2637489    4.4329201  0.00   -0.0016389   -0.0006781   -0.0007786
 C    4.2639842   19.5728547    5.4914087  0.00   -0.0010846   -0.0006949    0.0014961
 H    4.8262593   19.7970939    6.3900721  0.00   -0.0009838    0.0008782    0.0009978
 C    3.4462586   18.4472640    5.4649095  0.00    0.0037685   -0.0023535    0.0002009
 C    3.4230381   17.5339070    6.6702582  0.00    0.0034114    0.0007831    0.0002424
 H    2.5963250   16.8329207    6.5392469  0.00    0.0021844   -0.0012586   -0.0000109
 C    4.7094399   16.7094900    6.7448121  0.00    0.0005957   -0.0004376    0.0004273
 H    4.8418011   16.0908996    5.8564064  0.00    0.0018808   -0.0004906    0.0003739
 H    4.6857496   16.0471541    7.6134992  0.00    0.0010045   -0.0003167   -0.0004572
 H    5.5834883   17.3584689    6.8429421  0.00    0.0000275   -0.0008327    0.0000522
 C    3.2118737   18.2902649    7.9801937  0.00    0.0007098   -0.0005447   -0.0004041
 H    4.0804033   18.8987501    8.2410654  0.00    0.0027500    0.0019813   -0.0018401
 H    3.0579160   17.5860975    8.8012445  0.00   -0.0001340    0.0004742   -0.0017621
 H    2.3474091   18.9583364    7.9408274  0.00    0.0003673    0.0007112    0.0018237
 C    2.1658319   18.7110531    1.8321525  0.00    0.0021489    0.0023160    0.0001621
 H    1.4092306   17.9378015    2.0097388  0.00    0.0009897   -0.0006671   -0.0003430
 C    1.4663805   19.9377300    1.2546585  0.00    0.0009702   -0.0007359   -0.0008546
 H    0.7780530   20.3967150    1.9693316  0.00   -0.0002148   -0.0010069   -0.0021163
 H    0.8982480   19.6636268    0.3638490  0.00    0.0012617   -0.0000421    0.0002331
 H    2.1822953   20.7052166    0.9546260  0.00    0.0015058    0.0018145   -0.0001904
 C    3.1563282   18.1421241    0.8145897  0.00   -0.0023832   -0.0008547   -0.0005638
 H    3.9440226   18.8685561    0.5985345  0.00   -0.0007022   -0.0016447   -0.0001278
 H    2.6460794   17.9113320   -0.1234710  0.00    0.0008608   -0.0001309   -0.0010913
 H    3.6258855   17.2276081    1.1784353  0.00   -0.0004829    0.0016382    0.0004207
 C   -0.1905505   16.9639014    7.1161365  0.00   -0.0001248   -0.0006294    0.0003055
 H    0.6629614   17.5083580    7.5561990  0.00    0.0006719   -0.0006106    0.0034397
 H   -1.0939027   17.4343048    7.5412378  0.00    0.0003681   -0.0011942    0.0035972
 C    1.4372382   14.3293593    7.2808171  0.00    0.0002051    0.0001312    0.0014479
 H    1.5491795   14.2871743    6.1942088  0.00   -0.0013179    0.0014191    0.0005026
 H    1.4139780   13.2992564    7.6489487  0.00    0.0001074    0.0006152    0.0005689
 H    2.3358523   14.7952074    7.6925318  0.00    0.0005621    0.0014806   -0.0006930
 C   -0.1314542   15.3030087    9.7032254  0.00   -0.0001712   -0.0012151   -0.0027814
 H    0.7307020   15.8604057   10.0795292  0.00   -0.0020447   -0.0002122    0.0007833
 H   -0.0958485   14.3019790   10.1429124  0.00   -0.0002224    0.0026932   -0.0024205
 H   -1.0330731   15.7964469   10.0762153  0.00    0.0015118   -0.0001758    0.0012138
 C   -1.6123647   14.2162771    7.2714721  0.00   -0.0004851    0.0002805    0.0010719
 H   -2.5446440   14.6132630    7.6804827  0.00   -0.0009506    0.0011072   -0.0000935
 H   -1.5150394   13.1892678    7.6359503  0.00    0.0003285    0.0004994    0.0010712
 H   -1.7164283   14.1703143    6.1841888  0.00    0.0017461    0.0013359    0.0009702
129
 Energy =   -2867.2895003720
 O   -0.1332255   15.5628429    3.8324955  0.00   -0.0018768   -0.0021864   -0.0005544
Th   -0.2012503   17.7695889    4.8691948  0.00    0.0002181   -0.0001660   -0.0043547
Si   -0.1242117   15.2152316    7.8292781  0.00    0.0000835   -0.0003653   -0.0010218
 N   -2.1735955   16.9623014    4.1959288  0.00    0.0000709   -0.0010223   -0.0017595
 N    1.8195089   17.0674941    4.2282774  0.00    0.0003844   -0.0006878   -0.0019827
 C   -2.5897026   13.1486143    2.5974819  0.00   -0.0032184    0.0023826    0.0010645
 H   -2.6506043   12.1509171    2.1874038  0.00    0.0001198   -0.0013444   -0.0014074
 C   -3.7576089   13.8750679    2.7875024  0.00    0.0019967    0.0007651    0.0002408
 C   -3.6665127   15.1672182    3.3201937  0.00    0.0024644   -0.0043857   -0.0017734
 H   -4.5556290   15.7689306    3.4641793  0.00   -0.0042224    0.0000925   -0.0002948
 C   -2.4368626   15.7056312    3.6596396  0.00   -0.0039084    0.0013107    0.0000726
 C    2.1589288   15.8377072    3.6749775  0.00   -0.0007570   -0.0024340   -0.0016161
 C    3.4187657   15.3785577    3.3311837  0.00    0.0034522    0.0026939    0.0004419
 H    4.2703121   16.0306965    3.4843193  0.00    0.0015173   -0.0019939   -0.0009441
 C    3.5879759   14.0966610    2.7928438  0.00    0.0025783   -0.0021867   -0.0011353
 C    2.4661771   13.3018574    2.5993085  0.00   -0.0024692   -0.0023379   -0.0005102
 H    2.5874672   12.3108266    2.1861514  0.00    0.0005748    0.0005844   -0.0005379
 C   -0.0507434   12.8464987    2.7035966  0.00   -0.0004854    0.0007863   -0.0001659
 C   -1.3240945   13.6539839    2.9174653  0.00    0.0011828   -0.0033677   -0.0012113
 C   -1.3055530   14.9166860    3.4509821  0.00    0.0013428    0.0007701    0.0005800
 C    1.0761115   14.9859254    3.4561850  0.00    0.0020534   -0.0015406   -0.0009499
 C    1.1714670   13.7285356    2.9187532  0.00    0.0020132    0.0011994    0.0004695
 C   -0.0157448   11.6874371    3.7132363  0.00   -0.0007201    0.0016546   -0.0002065
 H   -0.0270865   12.0591483    4.7396111  0.00   -0.0001086   -0.0017836    0.0010410
 H    0.8877082   11.0896338    3.5758351  0.00   -0.0012705   -0.0001076    0.0013298
 H   -0.8810980   11.0356543    3.5757307  0.00    0.0016096    0.0004466    0.0014240
 C   -0.0330326   12.2795808    1.2778303  0.00   -0.0010438    0.0011444    0.0011699
 H   -0.8907437   11.6280006    1.1078112  0.00    0.0004224    0.0012003    0.0011093
 H    0.8629255   11.6815206    1.1087589  0.00   -0.0002496    0.0007309    0.0007305
 H   -0.0570871   13.0789513    0.5351781  0.00   -0.0000480    0.0016838    0.0007996
 C   -5.1304656   13.3108423    2.4251389  0.00   -0.0015388   -0.0013827   -0.0004862
 C   -6.0197659   13.2878474    3.6735946  0.00   -0.0002931    0.0010558    0.0005783
 H   -5.5752042   12.6728117    4.4596639  0.00   -0.0013616    0.0010513    0.0014406
 H   -6.9985334   12.8686051    3.4280434  0.00   -0.0020479    0.0015857    0.0004944
 H   -6.1834869   14.2885917    4.0786870  0.00    0.0018470    0.0018151   -0.0021874
 C   -5.7774326   14.1967946    1.3537630  0.00    0.0004064    0.0009987    0.0010155
 H   -5.9152672   15.2235599    1.6997204  0.00    0.0013377   -0.0006687    0.0024059
 H   -6.7613199   13.8032761    1.0865049  0.00   -0.0006968    0.0017962    0.0006267
 H   -5.1670529   14.2235122    0.4477093  0.00   -0.0005511    0.0020610    0.0001207
 C   -5.0466848   11.8882744    1.8780515  0.00   -0.0004262   -0.0007231   -0.0000425
 H   -4.4572844   11.8369199    0.9592908  0.00    0.0002480   -0.0001565   -0.0002668
 H   -6.0514072   11.5326058    1.6411122  0.00   -0.0003292   -0.0007731   -0.0007073
 H   -4.6178744   11.1955001    2.6063827  0.00   -0.0004717   -0.0009699   -0.0005590
 C    4.9938262   13.6141142    2.4377839  0.00   -0.0009617   -0.0006232    0.0002106
 C    5.6071944   14.5516059    1.3910583  0.00   -0.0006091    0.0012880    0.0014429
 H    6.6119482   14.2120167    1.1276170  0.00    0.0004109    0.0017797    0.0007132
 H    5.6923204   15.5767348    1.7582549  0.00   -0.0017929   -0.0009958    0.0023394
 H    5.0058872   14.5662912    0.4786827  0.00    0.0004809    0.0022668   -0.0000346
 C    5.8660554   13.6166878    3.6986979  0.00    0.0001680    0.0015088    0.0006180
 H    5.4464032   12.9615756    4.4658157  0.00    0.0012936    0.0012409    0.0017476
 H    5.9656549   14.6168665    4.1256870  0.00   -0.0023010    0.0015443   -0.0020509
 H    6.8706302   13.2588929    3.4600152  0.00    0.0017150    0.0016969    0.0002494
 C    4.9940045   12.1991020    1.8651512  0.00    0.0004865   -0.0006536   -0.0000866
 H    4.5999504   11.4701497    2.5775683  0.00    0.0001750   -0.0006460   -0.0005571
 H    6.0188129   11.9044259    1.6304057  0.00   -0.0000675   -0.0001801   -0.0003667
 H    4.4146927   12.1314915    0.9410208  0.00   -0.0002740   -0.0000869   -0.0002401
 C   -3.1583957   17.9896284    4.2666241  0.00   -0.0009179   -0.0033624   -0.0001153
 C   -3.9304243   18.1678638    5.4386267  0.00   -0.0008031    0.0005126   -0.0003659
 C   -4.8504821   19.2111636    5.4771992  0.00    0.0002991   -0.0010973    0.0010055
 H   -5.4538777   19.3511036    6.3662457  0.00    0.0003279    0.0011565    0.0021362
 C   -5.0216342   20.0614653    4.4026538  0.00    0.0021863   -0.0011793   -0.0000397
 H   -5.7496260   20.8628500    4.4532173  0.00    0.0003029   -0.0009271   -0.0004531
 C   -4.2624209   19.8869060    3.2599333  0.00    0.0009879    0.0012506    0.0015806
 H   -4.4103535   20.5568199    2.4222002  0.00    0.0030434    0.0005367    0.0011796
 C   -3.3251214   18.8646376    3.1623357  0.00    0.0016200    0.0001383   -0.0018870
 C   -2.5729823   18.6838763    1.8590411  0.00   -0.0006902   -0.0001733    0.0003215
 H   -1.6574651   18.1137511    2.0692670  0.00   -0.0008721    0.0005293   -0.0008873
 C   -3.3926971   17.8557111    0.8665848  0.00    0.0010202    0.0007521   -0.0005494
 H   -3.6437788   16.8729851    1.2652352  0.00    0.0010483    0.0004138   -0.0006926
 H   -2.8349975   17.7146886   -0.0623002  0.00   -0.0009916    0.0007904   -0.0005760
 H   -4.3237492   18.3750892    0.6243993  0.00   -0.0000741   -0.0018781   -0.0008792
 C   -2.1717818   20.0070182    1.2141637  0.00   -0.0004797    0.0000826   -0.0001486
 H   -3.0411561   20.5463268    0.8333585  0.00   -0.0008401    0.0010527    0.0005784
 H   -1.5172365   19.8237102    0.3607630  0.00   -0.0004770   -0.0000708    0.0006941
 H   -1.6504488   20.6698487    1.9089225  0.00   -0.0004612   -0.0002266   -0.0005948
 C   -3.8379813   17.2403311    6.6295854  0.00   -0.0003022   -0.0011299   -0.0007409
 H   -2.9611377   16.6052827    6.4883311  0.00   -0.0025570   -0.0015511    0.0005043
 C   -5.0585891   16.3223497    6.7047216  0.00   -0.0012654   -0.0006286    0.0001426
 H   -5.9780006   16.9035537    6.8116506  0.00   -0.0015690   -0.0006703   -0.0003198
 H   -4.9814161   15.6591719    7.5696599  0.00   -0.0004634   -0.0008575   -0.0006000
 H   -5.1494216   15.7000209    5.8139875  0.00   -0.0015472   -0.0002887    0.0003488
 C   -3.6777894   18.0000373    7.9456305  0.00   -0.0019462    0.0007954   -0.0000979
 H   -2.8729115   18.7385936    7.9047199  0.00   -0.0004079   -0.0003877    0.0025857
 H   -3.4587418   17.3048377    8.7594934  0.00   -0.0011823   -0.0006061   -0.0014146
 H   -4.5918499   18.5324706    8.2174149  0.00   -0.0017700    0.0012366   -0.0014584
 C    2.7242811   18.1652561    4.2809902  0.00    0.0030625   -0.0009394    0.0001652
 C    2.8545551   19.0064039    3.1477453  0.00   -0.0002207   -0.0002618    0.0006838
 C    3.6937567   20.1117692    3.2313280  0.00   -0.0020866   -0.0001087   -0.0004127
 H    3.8133891   20.7563766    2.3686482  0.00   -0.0033923    0.0004930   -0.0000578
 C    4.3903419   20.3990565    4.3907626  0.00   -0.0003164    0.0009444    0.0010539
 H    5.0402156   21.2655387    4.4335849  0.00   -0.0015405   -0.0019101   -0.0010567
 C    4.2632456   19.5735736    5.4915530  0.00   -0.0010060   -0.0011740    0.0007692
 H    4.8250426   19.7982229    6.3903478  0.00   -0.0000017    0.0005346    0.0016142
 C    3.4462424   18.4474415    5.4648482  0.00    0.0005245   -0.0001985   -0.0008670
 C    3.4234617   17.5338786    6.6699268  0.00    0.0006176   -0.0015897    0.0013532
 H    2.5968021   16.8327792    6.5388215  0.00    0.0023351   -0.0008632    0.0001957
 C    4.7098302   16.7094597    6.7441528  0.00    0.0017170    0.0009441    0.0001898
 H    4.8424594   16.0912266    5.8555445  0.00    0.0014741   -0.0005141    0.0003273
 H    4.6862529   16.0468633    7.6126209  0.00    0.0009858   -0.0003677   -0.0002349
 H    5.5836273   17.3587417    6.8424942  0.00    0.0006381   -0.0013831    0.0001582
 C    3.2123496   18.2896391    7.9802102  0.00    0.0031579    0.0021499   -0.0006135
 H    4.0808361   18.8985211    8.2408521  0.00    0.0011643    0.0004867   -0.0018201
 H    3.0589650   17.5852433    8.8011077  0.00   -0.0001349   -0.0001578   -0.0012820
 H    2.3476889   18.9574759    7.9415535  0.00    0.0001140    0.0007471    0.0011179
 C    2.1656405   18.7110527    1.8322004  0.00    0.0003299    0.0009560   -0.0005647
 H    1.4086130   17.9382686    2.0101846  0.00    0.0011205   -0.0003731   -0.0006962
 C    1.4668793   19.9377092    1.2538291  0.00    0.0014358   -0.0001115   -0.0005973
 H    0.7786822   20.3975126    1.9680838  0.00   -0.0000902   -0.0009426   -0.0017994
 H    0.8986099   19.6632870    0.3632242  0.00    0.0014027   -0.0000669   -0.0002117
 H    2.1833383   20.7045803    0.9532759  0.00    0.0004036    0.0013307    0.0001261
 C    3.1557473   18.1409313    0.8149360  0.00   -0.0009792    0.0005062    0.0002064
 H    3.9438981   18.8668693    0.5988695  0.00   -0.0007166   -0.0015505   -0.0006438
 H    2.6454961   17.9101650   -0.1231435  0.00    0.0009857   -0.0003197   -0.0006807
 H    3.6248755   17.2264131    1.1793147  0.00   -0.0007620    0.0013568    0.0000008
 C   -0.1906485   16.9636568    7.1162339  0.00    0.0003607   -0.0000095    0.0009158
 H    0.6628568   17.5083799    7.5561360  0.00    0.0001163   -0.0010358    0.0032902
 H   -1.0940383   17.4342607    7.5411065  0.00    0.0006149   -0.0014277    0.0036571
 C    1.4373067   14.3293464    7.2816351  0.00    0.0004323    0.0001079    0.0008992
 H    1.5491856   14.2870503    6.1950172  0.00   -0.0015321    0.0014094    0.0004572
 H    1.4142386   13.2992750    7.6498357  0.00    0.0000571    0.0005250    0.0007266
 H    2.3359589   14.7953520    7.6930627  0.00    0.0005776    0.0015043   -0.0002752
 C   -0.1315111   15.3035403    9.7039659  0.00   -0.0004655    0.0014869   -0.0029699
 H    0.7305524   15.8613173   10.0799989  0.00   -0.0021006   -0.0007674    0.0006557
 H   -0.0959406   14.3029169   10.1443670  0.00   -0.0001530    0.0013629   -0.0024152
 H   -1.0330914   15.7973751   10.0766619  0.00    0.0018658   -0.0008572    0.0009434
 C   -1.6123320   14.2161060    7.2722625  0.00   -0.0007845    0.0005151    0.0008472
 H   -2.5446783   14.6132025    7.6810423  0.00   -0.0007363    0.0010434    0.0000886
 H   -1.5152140   13.1890850    7.6367321  0.00    0.0005280    0.0004572    0.0012832
 H   -1.7162886   14.1701198    6.1849758  0.00    0.0018163    0.0013177    0.0007733
129
 Energy =   -2867.2895059420
 O   -0.1332998   15.5626178    3.8324850  0.00    0.0018499   -0.0013886   -0.0003320
Th   -0.2012316   17.7695946    4.8692495  0.00   -0.0003929   -0.0020200   -0.0035387
Si   -0.1242165   15.2153055    7.8299517  0.00   -0.0002635    0.0001522   -0.0011146
 N   -2.1734796   16.9622651    4.1957108  0.00   -0.0008451   -0.0015147   -0.0018223
 N    1.8193522   17.0673785    4.2281292  0.00    0.0025741   -0.0004359   -0.0019082
 C   -2.5899690   13.1485431    2.5974282  0.00    0.0029849   -0.0002601    0.0006495
 H   -2.6509486   12.1507696    2.1873396  0.00    0.0005630    0.0000747   -0.0008184
 C   -3.7576348   13.8749410    2.7873852  0.00   -0.0032219    0.0009604   -0.0000553
 C   -3.6667166   15.1671539    3.3200885  0.00   -0.0007775   -0.0026048   -0.0013167
 H   -4.5561743   15.7687516    3.4638529  0.00   -0.0009318   -0.0011576   -0.0004704
 C   -2.4371218   15.7055279    3.6595692  0.00    0.0012917    0.0005222    0.0001609
 C    2.1590516   15.8375694    3.6749577  0.00    0.0011023   -0.0005783   -0.0013205
 C    3.4190619   15.3784952    3.3311527  0.00    0.0015361    0.0005078   -0.0001910
 H    4.2708762   16.0304301    3.4840481  0.00    0.0000760   -0.0018734   -0.0006277
 C    3.5881403   14.0965059    2.7927444  0.00   -0.0012059   -0.0012036   -0.0003620
 C    2.4661758   13.3017386    2.5992065  0.00    0.0016056   -0.0016097   -0.0005218
 H    2.5877560   12.3107302    2.1860341  0.00   -0.0002921    0.0007914   -0.0004243
 C   -0.0507840   12.8465642    2.7036407  0.00   -0.0000909    0.0002290    0.0005113
 C   -1.3241531   13.6538745    2.9174521  0.00   -0.0016053   -0.0023859   -0.0010308
 C   -1.3055540   14.9165257    3.4509731  0.00   -0.0030171    0.0013166    0.0003699
 C    1.0762959   14.9857702    3.4561491  0.00   -0.0009155   -0.0007496   -0.0000798
 C    1.1715552   13.7284411    2.9187003  0.00    0.0003660    0.0005642    0.0004101
 C   -0.0158155   11.6873416    3.7132022  0.00   -0.0004995    0.0008995   -0.0009012
 H   -0.0271568   12.0581977    4.7399136  0.00   -0.0000628   -0.0007257   -0.0001337
 H    0.8875097   11.0895094    3.5753876  0.00   -0.0004357   -0.0002907    0.0015222
 H   -0.8810280   11.0355102    3.5753159  0.00    0.0007672    0.0003355    0.0013990
 C   -0.0330895   12.2795439    1.2779633  0.00   -0.0007910   -0.0001736    0.0004856
 H   -0.8906203   11.6276930    1.1083034  0.00   -0.0006363    0.0012963    0.0007342
 H    0.8627118   11.6812018    1.1092551  0.00    0.0006715    0.0009204    0.0003373
 H   -0.0571168   13.0784492    0.5347165  0.00   -0.0000634    0.0012764    0.0023543
 C   -5.1305987   13.3105605    2.4248611  0.00    0.0005782   -0.0000718    0.0005359
 C   -6.0199435   13.2876321    3.6732214  0.00   -0.0007526    0.0003107    0.0003070
 H   -5.5752310   12.6728815    4.4593851  0.00   -0.0016257    0.0003990    0.0017842
 H   -6.9987513   12.8682851    3.4276536  0.00   -0.0007797    0.0021699    0.0011116
 H   -6.1834743   14.2884366    4.0781178  0.00    0.0009541    0.0023746   -0.0018832
 C   -5.7774581   14.1966692    1.3536347  0.00   -0.0000504    0.0001917    0.0003052
 H   -5.9152068   15.2233302    1.6997903  0.00    0.0008039   -0.0000428    0.0026196
 H   -6.7613364   13.8032192    1.0860575  0.00    0.0000033    0.0020878    0.0009061
 H   -5.1668871   14.2236256    0.4477758  0.00   -0.0002929    0.0020351   -0.0007684
 C   -5.0467462   11.8880265    1.8777648  0.00    0.0000587   -0.0007336   -0.0002738
 H   -4.4571713   11.8367645    0.9591220  0.00    0.0000475   -0.0001679   -0.0006214
 H   -6.0514521   11.5323706    1.6406666  0.00    0.0000453   -0.0008865   -0.0005959
 H   -4.6178464   11.1952227    2.6060382  0.00   -0.0010322   -0.0007637   -0.0004933
 C    4.9938330   13.6138688    2.4375858  0.00    0.0010949   -0.0010366   -0.0001494
 C    5.6071998   14.5514301    1.3909340  0.00   -0.0007932    0.0006300    0.0008649
 H    6.6119411   14.2119174    1.1272075  0.00   -0.0002545    0.0018351    0.0010071
 H    5.6922356   15.5764584    1.7582780  0.00   -0.0012413   -0.0001707    0.0026432
 H    5.0056761   14.5663540    0.4787474  0.00    0.0003569    0.0021288   -0.0007961
 C    5.8662237   13.6165238    3.6983731  0.00   -0.0001445    0.0008649    0.0003706
 H    5.4464040   12.9617146    4.4656292  0.00    0.0017261    0.0006160    0.0019640
 H    5.9656155   14.6167611    4.1251498  0.00   -0.0013852    0.0022257   -0.0017335
 H    6.8708107   13.2586452    3.4596196  0.00    0.0006869    0.0020350    0.0008053
 C    4.9940724   12.1988393    1.8649189  0.00   -0.0001939   -0.0001127    0.0000081
 H    4.5999587   11.4698384    2.5772311  0.00    0.0005250   -0.0007308   -0.0000465
 H    6.0188796   11.9042236    1.6300567  0.00   -0.0002813   -0.0002321   -0.0002889
 H    4.4146128   12.1312447    0.9409140  0.00   -0.0002400    0.0000080   -0.0009371
 C   -3.1580421   17.9897448    4.2666752  0.00   -0.0015497   -0.0021059   -0.0025827
 C   -3.9303236   18.1679079    5.4384779  0.00   -0.0005446   -0.0037193    0.0024401
 C   -4.8498445   19.2115290    5.4775334  0.00   -0.0002411    0.0010693    0.0010381
 H   -5.4527221   19.3518013    6.3668831  0.00   -0.0000597    0.0006008    0.0017615
 C   -5.0204721   20.0624236    4.4033963  0.00    0.0023410    0.0008306    0.0005467
 H   -5.7476891   20.8645659    4.4544286  0.00    0.0010628   -0.0018150   -0.0004101
 C   -4.2612609   19.8879479    3.2606924  0.00    0.0026042    0.0007208    0.0017122
 H   -4.4083720   20.5584545    2.4233899  0.00    0.0024446    0.0013353    0.0005350
 C   -3.3245245   18.8651768    3.1625964  0.00    0.0001805   -0.0000491   -0.0010080
 C   -2.5725284   18.6844504    1.8592630  0.00   -0.0016050    0.0006561   -0.0004435
 H   -1.6567568   18.1150718    2.0696617  0.00    0.0018801   -0.0002066   -0.0004373
 C   -3.3915820   17.8551546    0.8671996  0.00    0.0005447    0.0013263   -0.0004696
 H   -3.6421595   16.8724812    1.2662256  0.00    0.0020701    0.0000081   -0.0007005
 H   -2.8339465   17.7144426   -0.0618137  0.00   -0.0011549    0.0003882    0.0002899
 H   -4.3230066   18.3737811    0.6250977  0.00   -0.0011084   -0.0015436   -0.0015861
 C   -2.1723888   20.0075489    1.2136369  0.00   -0.0001068   -0.0003937    0.0008959
 H   -3.0423076   20.5460161    0.8329164  0.00   -0.0005207    0.0009767   -0.0000026
 H   -1.5178070   19.8242601    0.3602584  0.00   -0.0008366    0.0000281    0.0004888
 H   -1.6512924   20.6709677    1.9080614  0.00   -0.0008516    0.0000839   -0.0010486
 C   -3.8382839   17.2398841    6.6292489  0.00   -0.0025879    0.0012060   -0.0013878
 H   -2.9617727   16.6047606    6.4877971  0.00    0.0005323   -0.0027866    0.0007703
 C   -5.0590385   16.3220113    6.7038863  0.00   -0.0005902   -0.0001746    0.0006659
 H   -5.9781168   16.9035811    6.8109119  0.00   -0.0030194   -0.0006097    0.0003821
 H   -4.9819537   15.6585022    7.5686440  0.00   -0.0009758   -0.0003540   -0.0014481
 H   -5.1502166   15.7000775    5.8129131  0.00   -0.0008851   -0.0001282    0.0003298
 C   -3.6784030   17.9993200    7.9456212  0.00   -0.0009536   -0.0003029   -0.0009382
 H   -2.8733344   18.7377729    7.9053010  0.00   -0.0011265   -0.0006016    0.0020699
 H   -3.4594334   17.3038737    8.7593138  0.00   -0.0021837   -0.0004977   -0.0015280
 H   -4.5925613   18.5318016    8.2171102  0.00   -0.0010660    0.0006040   -0.0009877
 C    2.7240016   18.1653262    4.2809757  0.00    0.0012083   -0.0039713   -0.0000622
 C    2.8540550   19.0065685    3.1478597  0.00   -0.0003098   -0.0001654   -0.0015840
 C    3.6925918   20.1123070    3.2316668  0.00   -0.0008213    0.0028512   -0.0007053
 H    3.8114832   20.7573078    2.3691567  0.00   -0.0030843    0.0002225    0.0002220
 C    4.3891412   20.3999560    4.3910923  0.00   -0.0028621   -0.0002897    0.0003028
 H    5.0382058   21.2669906    4.4341544  0.00   -0.0013793   -0.0015156   -0.0009866
 C    4.2624635   19.5740707    5.4915935  0.00   -0.0017013   -0.0012434    0.0020427
 H    4.8236806   19.7990703    6.3906596  0.00    0.0004709    0.0003262    0.0014463
 C    3.4460574   18.4474271    5.4647015  0.00    0.0031618    0.0016015    0.0004658
 C    3.4238213   17.5337873    6.6697446  0.00   -0.0000574   -0.0013285    0.0002177
 H    2.5973515   16.8325906    6.5384936  0.00    0.0010605   -0.0014078    0.0009580
 C    4.7102733   16.7095255    6.7436090  0.00    0.0005698   -0.0006201    0.0000921
 H    4.8432855   16.0915381    5.8548180  0.00    0.0008367    0.0003609    0.0009369
 H    4.6867193   16.0466414    7.6119157  0.00    0.0014109    0.0001782   -0.0008993
 H    5.5836323   17.3591116    6.8421520  0.00    0.0031405   -0.0005164    0.0007325
 C    3.2129908   18.2894015    7.9802212  0.00    0.0006166    0.0010975   -0.0007624
 H    4.0814350   18.8984106    8.2405091  0.00    0.0017192    0.0005801   -0.0010910
 H    3.0596938   17.5848766    8.8010822  0.00    0.0011331    0.0002238   -0.0018682
 H    2.3481208   18.9571225    7.9421220  0.00    0.0009969    0.0001621    0.0005016
 C    2.1652510   18.7111767    1.8321814  0.00    0.0006381    0.0001455    0.0007460
 H    1.4079347   17.9387656    2.0104692  0.00   -0.0000773   -0.0001999   -0.0007983
 C    1.4673539   19.9378936    1.2530562  0.00    0.0009420    0.0004050   -0.0001908
 H    0.7790391   20.3982660    1.9668542  0.00    0.0005210   -0.0002371   -0.0017204
 H    0.8990302   19.6632756    0.3625825  0.00    0.0016450   -0.0001961   -0.0010131
 H    2.1843728   20.7042409    0.9522911  0.00   -0.0006106    0.0005346    0.0000498
 C    3.1551311   18.1400088    0.8153366  0.00   -0.0003808    0.0008759    0.0002779
 H    3.9436388   18.8655026    0.5993687  0.00    0.0001404   -0.0008309   -0.0015098
 H    2.6450042   17.9092472   -0.1228697  0.00    0.0014399   -0.0005610    0.0004041
 H    3.6240285   17.2256390    1.1802980  0.00   -0.0015568    0.0004995   -0.0001979
 C   -0.1906980   16.9635891    7.1164469  0.00    0.0005200    0.0004297    0.0001729
 H    0.6628721   17.5085242    7.5561161  0.00   -0.0003272   -0.0014138    0.0029770
 H   -1.0940998   17.4344665    7.5411091  0.00    0.0009094   -0.0017924    0.0034191
 C    1.4373568   14.3294991    7.2823252  0.00    0.0005165    0.0005232    0.0000514
 H    1.5490173   14.2871346    6.1956645  0.00   -0.0019017    0.0012444    0.0006834
 H    1.4144238   13.2994707    7.6505769  0.00    0.0003294    0.0002373    0.0010112
 H    2.3361295   14.7956811    7.6933018  0.00    0.0002531    0.0014038    0.0001885
 C   -0.1316107   15.3041082    9.7046020  0.00   -0.0000713    0.0008416   -0.0026417
 H    0.7302817   15.8621284   10.0805233  0.00   -0.0009003   -0.0005112    0.0005832
 H   -0.0960376   14.3037122   10.1455617  0.00   -0.0001525    0.0016582   -0.0027002
 H   -1.0330212   15.7981787   10.0772047  0.00    0.0004296   -0.0005617    0.0007926
 C   -1.6123280   14.2161044    7.2729565  0.00   -0.0002161   -0.0002141    0.0010664
 H   -2.5447974   14.6132671    7.6813606  0.00   -0.0006854    0.0011466    0.0004041
 H   -1.5153368   13.1890295    7.6374443  0.00    0.0004049    0.0012648    0.0012120
 H   -1.7159609   14.1700944    6.1856633  0.00    0.0018136    0.0012153    0.0002362
129
 Energy =   -2867.2894778770
 O   -0.1339629   15.5599403    3.8326913  0.00    0.0247200    0.0052096    0.0011751
Th   -0.2012312   17.7684815    4.8700875  0.00   -0.0024382   -0.0121819   -0.0016594
Si   -0.1245879   15.2164100    7.8401375  0.00   -0.0026432    0.0054609   -0.0039138
 N   -2.1723955   16.9617674    4.1930403  0.00   -0.0109708   -0.0029525   -0.0002650
 N    1.8178899   17.0655734    4.2273365  0.00    0.0160911    0.0027111   -0.0001691
 C   -2.5922824   13.1479438    2.5970267  0.00    0.0470167   -0.0277932   -0.0077801
 H   -2.6543870   12.1494079    2.1868901  0.00    0.0040600    0.0124989    0.0037664
 C   -3.7581240   13.8741304    2.7858671  0.00   -0.0420211   -0.0047039   -0.0033534
 C   -3.6682752   15.1660875    3.3186311  0.00   -0.0274007    0.0248664    0.0066400
 H   -4.5602496   15.7678678    3.4603264  0.00    0.0277406   -0.0162342   -0.0031425
 C   -2.4392141   15.7047600    3.6588177  0.00    0.0371424   -0.0117674   -0.0020435
 C    2.1597678   15.8356869    3.6748732  0.00    0.0156336    0.0130365    0.0001072
 C    3.4211882   15.3778443    3.3308493  0.00   -0.0138296   -0.0269232   -0.0099136
 H    4.2745384   16.0281609    3.4817200  0.00   -0.0056656    0.0032595    0.0028723
 C    3.5894266   14.0949953    2.7913419  0.00   -0.0290698    0.0081373    0.0076037
 C    2.4659382   13.3002254    2.5982223  0.00    0.0354281    0.0113829    0.0012757
 H    2.5902752   12.3098899    2.1849470  0.00   -0.0080684   -0.0041389   -0.0023161
 C   -0.0514048   12.8460452    2.7036498  0.00    0.0034626   -0.0061728    0.0034994
 C   -1.3247725   13.6521035    2.9171323  0.00   -0.0197469    0.0139496    0.0042507
 C   -1.3059201   14.9147960    3.4510523  0.00   -0.0302508   -0.0001395   -0.0036038
 C    1.0774779   14.9837632    3.4561956  0.00   -0.0237429    0.0066690    0.0050412
 C    1.1721714   13.7270487    2.9183453  0.00   -0.0126272   -0.0093629   -0.0012382
 C   -0.0167554   11.6848904    3.7113483  0.00    0.0050725   -0.0056174   -0.0015041
 H   -0.0280591   12.0479264    4.7410406  0.00    0.0000246    0.0084288   -0.0076406
 H    0.8857348   11.0869563    3.5696927  0.00    0.0041930   -0.0008717    0.0038651
 H   -0.8807370   11.0328735    3.5696706  0.00   -0.0070297   -0.0016542    0.0018239
 C   -0.0337977   12.2766266    1.2792255  0.00    0.0060738   -0.0069214   -0.0058585
 H   -0.8898336   11.6224939    1.1132124  0.00   -0.0094631    0.0015207   -0.0026488
 H    0.8611460   11.6759621    1.1143181  0.00    0.0044273    0.0040811   -0.0028171
 H   -0.0574579   13.0708818    0.5303495  0.00   -0.0004445   -0.0001798    0.0137985
 C   -5.1315561   13.3079906    2.4210658  0.00    0.0129897    0.0081669    0.0069886
 C   -6.0218813   13.2835866    3.6682238  0.00   -0.0039962   -0.0049332   -0.0023623
 H   -5.5744797   12.6717856    4.4549291  0.00   -0.0047576   -0.0036410    0.0045071
 H   -6.9995553   12.8603281    3.4218161  0.00    0.0087451    0.0081548    0.0065551
 H   -6.1874103   14.2841987    4.0719317  0.00   -0.0039379    0.0064552   -0.0002648
 C   -5.7771596   14.1945476    1.3500589  0.00   -0.0034672   -0.0065449   -0.0053856
 H   -5.9168430   15.2202305    1.6971391  0.00   -0.0019560    0.0050832    0.0050598
 H   -6.7597789   13.7997690    1.0780548  0.00    0.0059855    0.0054420    0.0039367
 H   -5.1632976   14.2239767    0.4468152  0.00    0.0001136    0.0021703   -0.0063543
 C   -5.0462128   11.8858109    1.8736308  0.00    0.0040951    0.0000829   -0.0028547
 H   -4.4550018   11.8354760    0.9559928  0.00   -0.0015441   -0.0004090   -0.0024135
 H   -6.0505803   11.5299396    1.6349421  0.00    0.0025567   -0.0013109    0.0002444
 H   -4.6169598   11.1929526    2.6016955  0.00   -0.0040836   -0.0006500    0.0004499
 C    4.9937452   13.6113640    2.4345271  0.00    0.0131484   -0.0033458   -0.0019389
 C    5.6065919   14.5487180    1.3874539  0.00   -0.0007644   -0.0067754   -0.0061574
 H    6.6101393   14.2077436    1.1193240  0.00   -0.0070159    0.0037611    0.0046867
 H    5.6937606   15.5728894    1.7551267  0.00    0.0013661    0.0073360    0.0063826
 H    5.0014905   14.5657985    0.4778332  0.00    0.0012518    0.0019462   -0.0049472
 C    5.8679458   13.6132989    3.6939576  0.00   -0.0005493   -0.0062967   -0.0021332
 H    5.4452641   12.9616505    4.4622205  0.00    0.0061068   -0.0028587    0.0037384
 H    5.9692321   14.6135593    4.1191454  0.00    0.0035067    0.0082798    0.0004288
 H    6.8715042   13.2514901    3.4541530  0.00   -0.0083733    0.0066769    0.0057956
 C    4.9938166   12.1962316    1.8616661  0.00   -0.0060493    0.0023897   -0.0011369
 H    4.5997973   11.4669786    2.5736132  0.00    0.0024268   -0.0016675    0.0031478
 H    6.0184208   11.9019370    1.6254274  0.00   -0.0016180   -0.0002544    0.0004031
 H    4.4128282   12.1286305    0.9387305  0.00    0.0006701    0.0006002   -0.0042207
 C   -3.1530879   17.9922209    4.2675235  0.00   -0.0139586    0.0128148   -0.0197419
 C   -3.9267115   18.1697370    5.4384388  0.00    0.0106515   -0.0249000    0.0164903
 C   -4.8390232   19.2185969    5.4832604  0.00   -0.0054125    0.0145513    0.0015555
 H   -5.4384256   19.3603309    6.3748594  0.00   -0.0023447   -0.0026839   -0.0027072
 C   -5.0027407   20.0772123    4.4142323  0.00    0.0002011    0.0098997    0.0066196
 H   -5.7219030   20.8867980    4.4706422  0.00    0.0036490   -0.0091646   -0.0016138
 C   -4.2437177   19.9041279    3.2714790  0.00    0.0134368   -0.0092822   -0.0020466
 H   -4.3828539   20.5814376    2.4389808  0.00   -0.0025735    0.0061406   -0.0041574
 C   -3.3141055   18.8749896    3.1671988  0.00   -0.0048407   -0.0035905    0.0166346
 C   -2.5640575   18.6939276    1.8633812  0.00   -0.0027086    0.0050599   -0.0096138
 H   -1.6419192   18.1365348    2.0755180  0.00    0.0132684   -0.0037310   -0.0003949
 C   -3.3760567   17.8474720    0.8799083  0.00   -0.0067848    0.0062329    0.0009967
 H   -3.6178270   16.8658928    1.2868526  0.00    0.0085465   -0.0001827   -0.0026178
 H   -2.8205046   17.7067698   -0.0503950  0.00   -0.0005655   -0.0019542    0.0031650
 H   -4.3131263   18.3554963    0.6382108  0.00   -0.0056181    0.0007124   -0.0060523
 C   -2.1813058   20.0162082    1.2048687  0.00    0.0003096   -0.0030487    0.0103471
 H   -3.0597430   20.5403677    0.8228972  0.00    0.0064970   -0.0001259   -0.0012495
 H   -1.5269458   19.8332812    0.3513320  0.00   -0.0019512   -0.0006462   -0.0012415
 H   -1.6653779   20.6911997    1.8923147  0.00   -0.0034129   -0.0006092   -0.0036911
 C   -3.8413855   17.2342675    6.6246979  0.00   -0.0175592    0.0172484   -0.0005585
 H   -2.9675943   16.5977287    6.4819134  0.00    0.0190688   -0.0109119    0.0037550
 C   -5.0654439   16.3196076    6.6893960  0.00    0.0010499    0.0062890    0.0034525
 H   -5.9808026   16.9061681    6.7982210  0.00   -0.0104979   -0.0029639    0.0046680
 H   -4.9926285   15.6493362    7.5495793  0.00   -0.0033252    0.0027236   -0.0048702
 H   -5.1593712   15.7053185    5.7934471  0.00    0.0043844   -0.0002161    0.0012641
 C   -3.6861001   17.9872531    7.9464190  0.00    0.0057175   -0.0058883   -0.0093511
 H   -2.8802237   18.7255913    7.9133900  0.00   -0.0060105   -0.0017676   -0.0009720
 H   -3.4685154   17.2879687    8.7572797  0.00   -0.0080741   -0.0009386   -0.0022224
 H   -4.6017504   18.5185184    8.2162582  0.00    0.0043476   -0.0034287    0.0015699
 C    2.7192992   18.1668398    4.2813746  0.00   -0.0042386   -0.0230521   -0.0050185
 C    2.8446330   19.0105037    3.1498957  0.00   -0.0071994    0.0032200   -0.0130458
 C    3.6757317   20.1210348    3.2358183  0.00    0.0096135    0.0196441   -0.0012614
 H    3.7882343   20.7695659    2.3749387  0.00   -0.0009263   -0.0023800    0.0024374
 C    4.3710284   20.4122657    4.3956549  0.00   -0.0179468   -0.0118946   -0.0049956
 H    5.0119016   21.2849672    4.4411168  0.00    0.0018344   -0.0001784   -0.0013258
 C    4.2494934   19.5825325    5.4937021  0.00   -0.0012031    0.0002077    0.0081813
 H    4.8061009   19.8109352    6.3947924  0.00    0.0039559   -0.0017762   -0.0007474
 C    3.4409528   18.4498676    5.4644055  0.00    0.0101958    0.0122428    0.0119269
 C    3.4266963   17.5331420    6.6675369  0.00   -0.0001829    0.0059283   -0.0066084
 H    2.6024228   16.8302877    6.5360378  0.00   -0.0082831   -0.0069298    0.0071395
 C    4.7161268   16.7130886    6.7329562  0.00   -0.0070642   -0.0107822    0.0009253
 H    4.8526407   16.1015810    5.8397876  0.00   -0.0047367    0.0050027    0.0054494
 H    4.6960707   16.0439801    7.5969492  0.00    0.0041131    0.0041989   -0.0044380
 H    5.5845195   17.3671925    6.8347289  0.00    0.0195874    0.0040318    0.0040444
 C    3.2211703   18.2848965    7.9816398  0.00   -0.0220264   -0.0086994   -0.0027857
 H    4.0893896   18.8948820    8.2381805  0.00    0.0071474    0.0023951    0.0040100
 H    3.0717297   17.5776875    8.8015184  0.00    0.0082722    0.0039589   -0.0074480
 H    2.3538272   18.9507385    7.9511941  0.00    0.0089253   -0.0035299   -0.0038864
 C    2.1580441   18.7127706    1.8329605  0.00    0.0024701   -0.0044082    0.0071143
 H    1.3948353   17.9468581    2.0143583  0.00   -0.0050239    0.0013505   -0.0032323
 C    1.4731841   19.9405296    1.2409367  0.00   -0.0047999    0.0027245    0.0052762
 H    0.7860898   20.4129917    1.9483139  0.00    0.0058883    0.0012834   -0.0025344
 H    0.9037117   19.6625799    0.3523533  0.00    0.0041944   -0.0009699   -0.0052092
 H    2.1986475   20.6972214    0.9343586  0.00   -0.0091429   -0.0043850    0.0013163
 C    3.1476059   18.1265396    0.8245668  0.00    0.0033006    0.0047988   -0.0004602
 H    3.9415009   18.8457211    0.6092588  0.00    0.0054042    0.0051605   -0.0072732
 H    2.6410327   17.8935699   -0.1153757  0.00    0.0033785   -0.0018371    0.0070251
 H    3.6109121   17.2132031    1.1985188  0.00   -0.0067129   -0.0048395   -0.0019183
 C   -0.1917915   16.9618084    7.1183714  0.00    0.0015374    0.0083624   -0.0044326
 H    0.6623946   17.5110796    7.5528429  0.00   -0.0045311   -0.0063116    0.0039258
 H   -1.0953930   17.4379045    7.5379917  0.00    0.0049943   -0.0072265    0.0048814
 C    1.4375553   14.3307415    7.2931460  0.00    0.0009521    0.0034952   -0.0036693
 H    1.5466708   14.2861828    6.2061786  0.00   -0.0042757    0.0006474    0.0013231
 H    1.4157971   13.3015227    7.6632053  0.00    0.0021142   -0.0018047    0.0028249
 H    2.3377029   14.7985503    7.6994359  0.00   -0.0027629    0.0005070    0.0035732
 C   -0.1327298   15.3132199    9.7146280  0.00    0.0029961   -0.0060786    0.0000856
 H    0.7278413   15.8741385   10.0881257  0.00    0.0080414    0.0015709    0.0002184
 H   -0.0972036   14.3161577   10.1638866  0.00   -0.0001938    0.0049048   -0.0097977
 H   -1.0327598   15.8102422   10.0850646  0.00   -0.0105823    0.0018381    0.0002156
 C   -1.6117109   14.2147548    7.2835377  0.00    0.0033665   -0.0036697    0.0021971
 H   -2.5459253   14.6119536    7.6877602  0.00    0.0000706    0.0016532    0.0028151
 H   -1.5152954   13.1876618    7.6489977  0.00    0.0001099    0.0066555    0.0012703
 H   -1.7117900   14.1674555    6.1960516  0.00    0.0017602    0.0008790   -0.0025869
129
 Energy =   -2867.2895163960
 O   -0.1333069   15.5613265    3.8323488  0.00    0.0019190    0.0009721    0.0000719
Th   -0.2011868   17.7689951    4.8689212  0.00   -0.0010037   -0.0053660   -0.0008785
Si   -0.1243581   15.2159568    7.8331376  0.00   -0.0007060    0.0026156   -0.0015054
 N   -2.1731184   16.9618422    4.1945209  0.00   -0.0035374   -0.0036569   -0.0015423
 N    1.8189792   17.0665185    4.2274371  0.00    0.0068539   -0.0005306   -0.0001874
 C   -2.5905359   13.1478303    2.5970465  0.00    0.0026580    0.0000941    0.0003446
 H   -2.6522373   12.1501104    2.1868626  0.00    0.0026249    0.0005286   -0.0004652
 C   -3.7582065   13.8743254    2.7866805  0.00   -0.0021783    0.0010774    0.0012008
 C   -3.6675492   15.1667590    3.3194913  0.00   -0.0022312   -0.0060672   -0.0025706
 H   -4.5577883   15.7678658    3.4624069  0.00    0.0048002   -0.0014735    0.0000245
 C   -2.4377456   15.7048201    3.6591033  0.00    0.0045824    0.0037979    0.0008998
 C    2.1595949   15.8367786    3.6746782  0.00    0.0012341   -0.0016142   -0.0024115
 C    3.4199682   15.3777843    3.3307909  0.00   -0.0019637    0.0010667    0.0003298
 H    4.2726122   16.0292461    3.4830298  0.00   -0.0057170   -0.0031481   -0.0001804
 C    3.5884655   14.0956969    2.7921650  0.00    0.0011823   -0.0001359    0.0002438
 C    2.4665199   13.3010459    2.5986704  0.00    0.0003984   -0.0045094   -0.0013952
 H    2.5887917   12.3100926    2.1853019  0.00   -0.0024637    0.0022135    0.0003075
 C   -0.0509553   12.8462936    2.7036503  0.00    0.0002125   -0.0023485    0.0010690
 C   -1.3246060   13.6530755    2.9172255  0.00   -0.0016766   -0.0009057   -0.0004200
 C   -1.3059668   14.9156313    3.4507859  0.00   -0.0030907    0.0019547    0.0006526
 C    1.0766832   14.9848044    3.4559508  0.00   -0.0014946    0.0014701    0.0007815
 C    1.1718536   13.7276405    2.9183947  0.00   -0.0007930    0.0003263    0.0007259
 C   -0.0160913   11.6864390    3.7125586  0.00    0.0000721   -0.0030615   -0.0014399
 H   -0.0274535   12.0541186    4.7404194  0.00    0.0000765    0.0037419   -0.0022662
 H    0.8867604   11.0884226    3.5734256  0.00    0.0025907   -0.0006926    0.0018794
 H   -0.8807928   11.0344167    3.5733820  0.00   -0.0023127   -0.0000643    0.0011679
 C   -0.0333009   12.2785093    1.2783825  0.00   -0.0001766   -0.0038148    0.0000071
 H   -0.8903489   11.6258270    1.1101784  0.00   -0.0033928    0.0016285   -0.0009015
 H    0.8620914   11.6793158    1.1111319  0.00    0.0031991    0.0014027   -0.0013187
 H   -0.0572321   13.0757776    0.5332621  0.00   -0.0001566    0.0013832    0.0054750
 C   -5.1309882   13.3094240    2.4235507  0.00    0.0011867    0.0004657    0.0010819
 C   -6.0207298   13.2862004    3.6715147  0.00   -0.0000000    0.0004137    0.0005728
 H   -5.5752482   12.6724747    4.4580356  0.00   -0.0029473   -0.0005532    0.0019667
 H   -6.9993141   12.8659882    3.4258871  0.00    0.0015588    0.0035838    0.0023376
 H   -6.1843289   14.2872334    4.0757271  0.00   -0.0011297    0.0024091   -0.0012184
 C   -5.7774268   14.1958345    1.3524722  0.00    0.0002340    0.0001236   -0.0007203
 H   -5.9154378   15.2221681    1.6993072  0.00   -0.0002911    0.0007877    0.0027373
 H   -6.7609610   13.8023923    1.0834879  0.00    0.0005886    0.0022622    0.0015379
 H   -5.1658373   14.2238115    0.4474162  0.00   -0.0002112    0.0017774   -0.0022984
 C   -5.0467757   11.8869655    1.8762543  0.00    0.0012669   -0.0000242   -0.0006590
 H   -4.4566308   11.8360919    0.9579776  0.00   -0.0003961   -0.0003841   -0.0014648
 H   -6.0513826   11.5312710    1.6385749  0.00    0.0010809   -0.0007696   -0.0002477
 H   -4.6178000   11.1940586    2.6044152  0.00   -0.0020626   -0.0005655   -0.0002292
 C    4.9940338   13.6126751    2.4364724  0.00    0.0011707   -0.0007771   -0.0002120
 C    5.6070252   14.5503692    1.3898010  0.00   -0.0011578    0.0004384   -0.0002253
 H    6.6114553   14.2108059    1.1247220  0.00   -0.0012765    0.0019774    0.0017675
 H    5.6923934   15.5751123    1.7576108  0.00   -0.0001434    0.0010951    0.0031604
 H    5.0044768   14.5662484    0.4783782  0.00    0.0002859    0.0015605   -0.0021666
 C    5.8669036   13.6153393    3.6968574  0.00   -0.0011464    0.0006364    0.0002636
 H    5.4463323   12.9616539    4.4646519  0.00    0.0031652   -0.0005384    0.0019822
 H    5.9663449   14.6158563    4.1228534  0.00    0.0007568    0.0026187   -0.0012373
 H    6.8712875   13.2565948    3.4578930  0.00   -0.0016802    0.0032694    0.0023883
 C    4.9941608   12.1976916    1.8637132  0.00   -0.0010082    0.0001281   -0.0004048
 H    4.6001185   11.4685029    2.5758370  0.00    0.0012211   -0.0008005    0.0009712
 H    6.0189523   11.9032547    1.6283856  0.00   -0.0011664   -0.0003387   -0.0000783
 H    4.4142201   12.1301320    0.9400564  0.00    0.0000201    0.0002101   -0.0021494
 C   -3.1563057   17.9904102    4.2667999  0.00   -0.0062100   -0.0014394   -0.0049271
 C   -3.9290349   18.1681887    5.4384505  0.00    0.0007971   -0.0051028    0.0046046
 C   -4.8459500   19.2139898    5.4796160  0.00    0.0000402    0.0027401    0.0015374
 H   -5.4472950   19.3551637    6.3699767  0.00   -0.0005208   -0.0011430   -0.0009295
 C   -5.0140508   20.0674964    4.4072213  0.00    0.0033129    0.0034932    0.0022700
 H   -5.7383250   20.8722434    4.4600199  0.00    0.0011746   -0.0027970   -0.0006222
 C   -4.2547213   19.8934592    3.2645890  0.00    0.0033073    0.0002951   -0.0005631
 H   -4.3988054   20.5666173    2.4290135  0.00    0.0007555    0.0020421    0.0000070
 C   -3.3208742   18.8682856    3.1641616  0.00   -0.0005470    0.0002431    0.0024864
 C   -2.5696106   18.6877196    1.8605302  0.00   -0.0001024    0.0004069   -0.0011220
 H   -1.6517358   18.1222344    2.0715489  0.00    0.0057911   -0.0012420   -0.0004307
 C   -3.3859485   17.8527959    0.8711039  0.00   -0.0023583    0.0028860   -0.0012396
 H   -3.6334263   16.8704071    1.2724802  0.00    0.0041848   -0.0015300   -0.0007205
 H   -2.8290067   17.7124530   -0.0584175  0.00   -0.0007278   -0.0004092    0.0017700
 H   -4.3193644   18.3675632    0.6290885  0.00   -0.0036264    0.0000054   -0.0031135
 C   -2.1750163   20.0105174    1.2110493  0.00    0.0003313   -0.0008835    0.0017819
 H   -3.0475678   20.5445442    0.8299625  0.00    0.0011402    0.0007187   -0.0011108
 H   -1.5203500   19.8273829    0.3577058  0.00   -0.0017291    0.0000128   -0.0001014
 H   -1.6556092   20.6775362    1.9032042  0.00   -0.0007767    0.0010781   -0.0003938
 C   -3.8393767   17.2381061    6.6277697  0.00   -0.0030012    0.0021036   -0.0005037
 H   -2.9637458   16.6022132    6.4859773  0.00    0.0050916   -0.0034830    0.0021363
 C   -5.0610160   16.3210726    6.6994416  0.00   -0.0009841    0.0022598    0.0005421
 H   -5.9789608   16.9041631    6.8068920  0.00   -0.0056998   -0.0014587    0.0022316
 H   -4.9851086   15.6554367    7.5627312  0.00   -0.0018891    0.0007633   -0.0021416
 H   -5.1531211   15.7014272    5.8069549  0.00    0.0011215    0.0002034    0.0006271
 C   -3.6808248   17.9955521    7.9457921  0.00    0.0006169   -0.0017551   -0.0028439
 H   -2.8753980   18.7338866    7.9082280  0.00   -0.0026710   -0.0009522   -0.0001815
 H   -3.4621896   17.2988092    8.7584637  0.00   -0.0049316   -0.0009068   -0.0011829
 H   -4.5954468   18.5278025    8.2166928  0.00    0.0013523   -0.0015367    0.0001495
 C    2.7223455   18.1654413    4.2809729  0.00    0.0045017   -0.0048517   -0.0008134
 C    2.8507549   19.0078120    3.1484839  0.00   -0.0028359    0.0006447   -0.0028374
 C    3.6863281   20.1155697    3.2332369  0.00    0.0008316    0.0043274    0.0001386
 H    3.8024017   20.7618689    2.3714539  0.00   -0.0013023    0.0012209   -0.0005863
 C    4.3824151   20.4042128    4.3927506  0.00   -0.0059837   -0.0017781    0.0006957
 H    5.0285375   21.2733671    4.4365953  0.00   -0.0009555   -0.0014709   -0.0006673
 C    4.2578190   19.5769511    5.4925101  0.00   -0.0023724   -0.0003481    0.0002488
 H    4.8171986   19.8033495    6.3922739  0.00    0.0025284   -0.0001830    0.0015741
 C    3.4445026   18.4480405    5.4646200  0.00    0.0019154    0.0038714    0.0006568
 C    3.4247797   17.5336039    6.6690400  0.00   -0.0017048   -0.0006533   -0.0012797
 H    2.5990966   16.8317247    6.5377547  0.00   -0.0022552   -0.0025448    0.0028322
 C    4.7120157   16.7104677    6.7404897  0.00    0.0004734   -0.0001853    0.0003157
 H    4.8462669   16.0944052    5.8505055  0.00   -0.0011193    0.0012724    0.0011920
 H    4.6894956   16.0458643    7.6074879  0.00    0.0021138    0.0003911   -0.0006176
 H    5.5839214   17.3615325    6.8399841  0.00    0.0071191   -0.0002166    0.0017665
 C    3.2153813   18.2881623    7.9805700  0.00   -0.0024411   -0.0007302   -0.0019472
 H    4.0839928   18.8974720    8.2396787  0.00    0.0010236   -0.0008336    0.0004913
 H    3.0629637   17.5828253    8.8009289  0.00    0.0039218    0.0003825   -0.0017730
 H    2.3499302   18.9554159    7.9450022  0.00    0.0023250   -0.0002604   -0.0018983
 C    2.1626610   18.7118795    1.8324464  0.00    0.0001392   -0.0010846    0.0017858
 H    1.4034269   17.9416252    2.0116881  0.00   -0.0028316    0.0000260   -0.0012429
 C    1.4691341   19.9390232    1.2491742  0.00   -0.0010662   -0.0003190    0.0002202
 H    0.7810759   20.4030782    1.9606676  0.00    0.0007793    0.0018291    0.0000954
 H    0.9004561   19.6633247    0.3593189  0.00    0.0026762   -0.0005293   -0.0028911
 H    2.1887647   20.7023429    0.9466150  0.00   -0.0026219   -0.0008389    0.0001444
 C    3.1520136   18.1356491    0.8181574  0.00    0.0025145    0.0021999   -0.0000770
 H    3.9424643   18.8588095    0.6023622  0.00    0.0024584    0.0019083   -0.0035768
 H    2.6431146   17.9042706   -0.1206612  0.00    0.0014019   -0.0010175    0.0027777
 H    3.6189886   17.2216502    1.1860622  0.00   -0.0028080   -0.0026668   -0.0005326
 C   -0.1909885   16.9633783    7.1171137  0.00    0.0008310    0.0025262   -0.0019924
 H    0.6627112   17.5093115    7.5556703  0.00   -0.0013080   -0.0026323    0.0026391
 H   -1.0943252   17.4355242    7.5407825  0.00    0.0016019   -0.0029451    0.0032663
 C    1.4374575   14.3302176    7.2859285  0.00    0.0000619    0.0010458   -0.0007234
 H    1.5480055   14.2873193    6.1991807  0.00   -0.0021632    0.0005130    0.0000048
 H    1.4149201   13.3004034    7.6547433  0.00    0.0011876    0.0002581    0.0012681
 H    2.3366983   14.7970430    7.6952192  0.00   -0.0009594    0.0009235    0.0013536
 C   -0.1320392   15.3073980    9.7075812  0.00    0.0003070    0.0015053   -0.0000631
 H    0.7292407   15.8663372   10.0830938  0.00    0.0029137    0.0003477   -0.0000546
 H   -0.0964937   14.3082751   10.1512194  0.00   -0.0000095   -0.0002770   -0.0039208
 H   -1.0328773   15.8023941   10.0798829  0.00   -0.0034848    0.0000662   -0.0002897
 C   -1.6121821   14.2159614    7.2765566  0.00    0.0006610   -0.0000601    0.0005521
 H   -2.5452933   14.6132617    7.6834382  0.00    0.0003949    0.0008954    0.0009449
 H   -1.5153535   13.1889450    7.6413405  0.00    0.0001143    0.0021499    0.0013847
 H   -1.7143500   14.1697254    6.1891586  0.00    0.0012665    0.0005069   -0.0007321
129
 Energy =   -2867.2895200500
 O   -0.1333672   15.5610794    3.8323566  0.00    0.0040938    0.0014209    0.0001227
Th   -0.2011862   17.7686502    4.8687921  0.00   -0.0007322   -0.0039814   -0.0005930
Si   -0.1244164   15.2161545    7.8335768  0.00   -0.0004799    0.0022720   -0.0013094
 N   -2.1731558   16.9616561    4.1943670  0.00   -0.0030414   -0.0013949   -0.0005819
 N    1.8190812   17.0662750    4.2274419  0.00    0.0049192   -0.0006159   -0.0003625
 C   -2.5906449   13.1477372    2.5970209  0.00    0.0069153   -0.0024826   -0.0006379
 H   -2.6522639   12.1499848    2.1868118  0.00    0.0023021    0.0010425   -0.0002791
 C   -3.7581526   13.8742345    2.7866102  0.00   -0.0056636   -0.0010493    0.0002073
 C   -3.6674730   15.1664953    3.3193655  0.00   -0.0036791   -0.0004267   -0.0007523
 H   -4.5576189   15.7678278    3.4623170  0.00    0.0050768   -0.0024996   -0.0003614
 C   -2.4377659   15.7047399    3.6590448  0.00    0.0059138   -0.0008013   -0.0003174
 C    2.1595282   15.8365083    3.6745898  0.00    0.0025389    0.0009998   -0.0010342
 C    3.4199042   15.3776624    3.3307377  0.00   -0.0025942   -0.0030306   -0.0012468
 H    4.2723548   16.0290980    3.4830101  0.00   -0.0033883   -0.0015379    0.0001206
 C    3.5885406   14.0955406    2.7920549  0.00   -0.0030362   -0.0001502    0.0008615
 C    2.4664546   13.3008005    2.5986101  0.00    0.0039091   -0.0008801   -0.0005884
 H    2.5887949   12.3099813    2.1852322  0.00   -0.0024161    0.0003028   -0.0004173
 C   -0.0509821   12.8459912    2.7035494  0.00    0.0008121   -0.0022591    0.0011349
 C   -1.3245945   13.6528308    2.9171590  0.00   -0.0033010    0.0008771    0.0004110
 C   -1.3059484   14.9154519    3.4507801  0.00   -0.0050968    0.0008287   -0.0005408
 C    1.0766850   14.9845686    3.4559389  0.00   -0.0032226    0.0011812    0.0005432
 C    1.1718538   13.7274264    2.9183765  0.00   -0.0021859   -0.0012064    0.0000709
 C   -0.0161130   11.6860694    3.7123048  0.00    0.0000980   -0.0025254   -0.0005057
 H   -0.0274901   12.0538531    4.7401045  0.00    0.0000618    0.0034114   -0.0016238
 H    0.8867873   11.0880940    3.5732258  0.00    0.0023135   -0.0006977    0.0017807
 H   -0.8808674   11.0341131    3.5731283  0.00   -0.0021195   -0.0001768    0.0011720
 C   -0.0333130   12.2779905    1.2783611  0.00   -0.0001054   -0.0025028   -0.0000677
 H   -0.8904682   11.6254051    1.1101851  0.00   -0.0027784    0.0015677   -0.0008179
 H    0.8621883   11.6789027    1.1111397  0.00    0.0025106    0.0013300   -0.0012337
 H   -0.0572462   13.0752941    0.5333168  0.00   -0.0001642    0.0014813    0.0047673
 C   -5.1309992   13.3093453    2.4233737  0.00    0.0023115    0.0007849    0.0011574
 C   -6.0207682   13.2859865    3.6713416  0.00   -0.0001287    0.0002172    0.0001277
 H   -5.5752404   12.6722707    4.4578679  0.00   -0.0029084   -0.0000890    0.0018368
 H   -6.9991886   12.8654858    3.4256516  0.00    0.0010731    0.0035615    0.0022145
 H   -6.1848184   14.2869764    4.0754904  0.00   -0.0005460    0.0023654   -0.0011013
 C   -5.7773419   14.1957396    1.3521916  0.00    0.0000858   -0.0000464   -0.0005028
 H   -5.9156996   15.2220203    1.6990593  0.00    0.0001169    0.0008133    0.0026429
 H   -6.7607604   13.8021147    1.0830678  0.00    0.0004486    0.0023045    0.0014726
 H   -5.1656209   14.2238132    0.4471849  0.00   -0.0005248    0.0018063   -0.0016912
 C   -5.0467298   11.8869217    1.8760225  0.00    0.0007474   -0.0003516   -0.0006122
 H   -4.4566388   11.8360109    0.9577014  0.00   -0.0002655   -0.0003253   -0.0011151
 H   -6.0513353   11.5312314    1.6383557  0.00    0.0009081   -0.0007123   -0.0003719
 H   -4.6179190   11.1939735    2.6042302  0.00   -0.0016204   -0.0005979   -0.0003326
 C    4.9940077   13.6125831    2.4363062  0.00    0.0020454   -0.0012327   -0.0005402
 C    5.6069236   14.5502460    1.3895300  0.00   -0.0011135    0.0005037   -0.0000587
 H    6.6112234   14.2104897    1.1242811  0.00   -0.0009097    0.0019527    0.0017304
 H    5.6926528   15.5749643    1.7573744  0.00   -0.0005906    0.0009348    0.0029870
 H    5.0042394   14.5661972    0.4781600  0.00    0.0005101    0.0016644   -0.0016176
 C    5.8669236   13.6151559    3.6966892  0.00   -0.0010168    0.0005989    0.0001852
 H    5.4463065   12.9615044    4.4645162  0.00    0.0030652   -0.0000593    0.0018318
 H    5.9668016   14.6156816    4.1226038  0.00    0.0001598    0.0023886   -0.0011835
 H    6.8711689   13.2561146    3.4577194  0.00   -0.0011352    0.0032558    0.0021110
 C    4.9941556   12.1975950    1.8635208  0.00   -0.0011431    0.0001739   -0.0002099
 H    4.6002888   11.4683933    2.5757433  0.00    0.0008688   -0.0007607    0.0006281
 H    6.0189388   11.9032162    1.6281978  0.00   -0.0007278   -0.0003887   -0.0002205
 H    4.4142552   12.1300082    0.9398170  0.00   -0.0000595    0.0001440   -0.0016887
 C   -3.1561313   17.9904605    4.2668044  0.00   -0.0029448    0.0001370   -0.0029971
 C   -3.9285661   18.1683525    5.4386277  0.00   -0.0002505   -0.0053743    0.0033531
 C   -4.8451818   19.2144345    5.4800201  0.00    0.0005395    0.0022305    0.0008015
 H   -5.4467450   19.3553813    6.3702489  0.00   -0.0003530   -0.0007375   -0.0005484
 C   -5.0129635   20.0681920    4.4077704  0.00    0.0022659    0.0030083    0.0016446
 H   -5.7372681   20.8728938    4.4605967  0.00    0.0011561   -0.0024195   -0.0005409
 C   -4.2536470   19.8942861    3.2650861  0.00    0.0028321    0.0000134    0.0000741
 H   -4.3977063   20.5676169    2.4296218  0.00    0.0010116    0.0017939    0.0003232
 C   -3.3200906   18.8688681    3.1645194  0.00   -0.0014699   -0.0009890    0.0009100
 C   -2.5688847   18.6882773    1.8608069  0.00   -0.0008244    0.0002531   -0.0007827
 H   -1.6504836   18.1234339    2.0717612  0.00    0.0041310   -0.0010442   -0.0008095
 C   -3.3852857   17.8526384    0.8720196  0.00   -0.0016054    0.0015289   -0.0008748
 H   -3.6321189   16.8702692    1.2739325  0.00    0.0036203   -0.0008167   -0.0011198
 H   -2.8285901   17.7118988   -0.0575394  0.00   -0.0003276    0.0000202    0.0010340
 H   -4.3189700   18.3669376    0.6300351  0.00   -0.0033668    0.0000883   -0.0029088
 C   -2.1753558   20.0110462    1.2106407  0.00    0.0007534   -0.0002158    0.0019256
 H   -3.0483187   20.5442673    0.8293397  0.00    0.0011645    0.0008117   -0.0008018
 H   -1.5207862   19.8280109    0.3572252  0.00   -0.0012885   -0.0002558   -0.0001746
 H   -1.6563216   20.6788687    1.9023165  0.00   -0.0006339    0.0004933   -0.0002938
 C   -3.8392880   17.2379025    6.6276554  0.00   -0.0031060    0.0022322   -0.0005458
 H   -2.9636084   16.6019064    6.4860200  0.00    0.0036619   -0.0030874    0.0019385
 C   -5.0612992   16.3213104    6.6985999  0.00   -0.0006358    0.0011199    0.0007858
 H   -5.9791491   16.9045679    6.8061890  0.00   -0.0051746   -0.0014335    0.0019074
 H   -4.9858601   15.6551334    7.5615032  0.00   -0.0015770    0.0009211   -0.0017581
 H   -5.1532973   15.7021334    5.8057835  0.00    0.0007938    0.0000235    0.0006753
 C   -3.6810662   17.9949483    7.9458724  0.00    0.0005646   -0.0017710   -0.0020677
 H   -2.8758100   18.7334227    7.9086163  0.00   -0.0020207   -0.0007249   -0.0000653
 H   -3.4625965   17.2980350    8.7584409  0.00   -0.0044664   -0.0009730   -0.0012244
 H   -4.5957669   18.5269464    8.2168664  0.00    0.0008208   -0.0010479   -0.0000517
 C    2.7221535   18.1654380    4.2810204  0.00    0.0008055   -0.0033361   -0.0016996
 C    2.8499426   19.0081108    3.1486299  0.00    0.0002209    0.0002902   -0.0019058
 C    3.6853514   20.1160679    3.2334103  0.00   -0.0000999    0.0032771    0.0003168
 H    3.8014512   20.7623907    2.3716020  0.00   -0.0015291    0.0009421    0.0000722
 C    4.3813504   20.4046754    4.3929924  0.00   -0.0053397   -0.0019017   -0.0000862
 H    5.0274410   21.2737938    4.4367776  0.00   -0.0004417   -0.0006619   -0.0004753
 C    4.2569471   19.5773927    5.4927452  0.00   -0.0008495    0.0006080    0.0013432
 H    4.8165441   19.8037969    6.3924937  0.00    0.0013154   -0.0004018    0.0002250
 C    3.4439534   18.4483308    5.4647561  0.00    0.0028177    0.0014793    0.0009704
 C    3.4246226   17.5336341    6.6690155  0.00   -0.0007138   -0.0000535   -0.0013855
 H    2.5989724   16.8315976    6.5379748  0.00   -0.0013761   -0.0021687    0.0024837
 C    4.7122182   16.7109527    6.7398366  0.00    0.0003986   -0.0007423    0.0004929
 H    4.8464434   16.0953884    5.8495109  0.00   -0.0009452    0.0009783    0.0012639
 H    4.6901687   16.0458547    7.6064660  0.00    0.0017841    0.0005691   -0.0003677
 H    5.5840211   17.3622044    6.8395015  0.00    0.0063132   -0.0003993    0.0014828
 C    3.2156088   18.2879785    7.9806800  0.00   -0.0018859   -0.0006296   -0.0015648
 H    4.0843570   18.8971400    8.2397291  0.00    0.0007726   -0.0006582    0.0002251
 H    3.0635170   17.5825399    8.8009938  0.00    0.0033393    0.0002243   -0.0016271
 H    2.3502179   18.9552724    7.9453622  0.00    0.0019346   -0.0000567   -0.0016396
 C    2.1620616   18.7120070    1.8326000  0.00   -0.0002161   -0.0013803    0.0007745
 H    1.4023551   17.9421118    2.0117778  0.00   -0.0016346    0.0002787   -0.0013047
 C    1.4692173   19.9391917    1.2485731  0.00   -0.0007947    0.0004211    0.0005453
 H    0.7814528   20.4041757    1.9597593  0.00    0.0004930    0.0010851   -0.0000547
 H    0.9005901   19.6634009    0.3587208  0.00    0.0023218   -0.0007501   -0.0027011
 H    2.1892843   20.7019441    0.9456141  0.00   -0.0025614   -0.0006868    0.0003466
 C    3.1517258   18.1351756    0.8189230  0.00    0.0021925    0.0011923   -0.0000091
 H    3.9424082   18.8580852    0.6031066  0.00    0.0023392    0.0018272   -0.0032719
 H    2.6432297   17.9034238   -0.1199654  0.00    0.0006828   -0.0006998    0.0020287
 H    3.6182177   17.2210840    1.1872955  0.00   -0.0024507   -0.0019347   -0.0006197
 C   -0.1910448   16.9633668    7.1170664  0.00    0.0006794    0.0024318   -0.0021860
 H    0.6626453   17.5094881    7.5553362  0.00   -0.0009077   -0.0025650    0.0030727
 H   -1.0943409   17.4357784    7.5404940  0.00    0.0013727   -0.0030715    0.0035645
 C    1.4373963   14.3302904    7.2864816  0.00   -0.0001664    0.0011163   -0.0007977
 H    1.5477655   14.2872152    6.1997061  0.00   -0.0018907    0.0006007    0.0003151
 H    1.4148561   13.3005362    7.6554670  0.00    0.0011050    0.0002401    0.0011665
 H    2.3366827   14.7971224    7.6956731  0.00   -0.0009654    0.0009765    0.0011939
 C   -0.1320779   15.3079718    9.7080479  0.00    0.0002117    0.0014772    0.0000161
 H    0.7292615   15.8669127   10.0834840  0.00    0.0024801    0.0004190   -0.0002119
 H   -0.0965336   14.3089662   10.1519426  0.00   -0.0000081   -0.0005107   -0.0041923
 H   -1.0329657   15.8029718   10.0802912  0.00   -0.0030421    0.0001474   -0.0004129
 C   -1.6121081   14.2158945    7.2770677  0.00    0.0007482    0.0002288    0.0004012
 H   -2.5453183   14.6130917    7.6838311  0.00    0.0004137    0.0009428    0.0008507
 H   -1.5151476   13.1889522    7.6420022  0.00    0.0001174    0.0020220    0.0013292
 H   -1.7140944   14.1695154    6.1896392  0.00    0.0010746    0.0005470   -0.0003778
129
 Energy =   -2867.2895267340
 O   -0.1332849   15.5609645    3.8322945  0.00    0.0005310    0.0003643   -0.0003581
Th   -0.2011866   17.7680101    4.8681977  0.00    0.0011134   -0.0001772    0.0002811
Si   -0.1244437   15.2163749    7.8332513  0.00    0.0002645    0.0017608    0.0006594
 N   -2.1734797   16.9614309    4.1941969  0.00   -0.0025559   -0.0001152   -0.0002255
 N    1.8196952   17.0661189    4.2272413  0.00   -0.0003690   -0.0029963    0.0007914
 C   -2.5904940   13.1475518    2.5970165  0.00    0.0022300   -0.0016928   -0.0004536
 H   -2.6518988   12.1498428    2.1867627  0.00    0.0014868    0.0004925   -0.0004063
 C   -3.7582158   13.8741034    2.7866666  0.00   -0.0000113   -0.0029210   -0.0008873
 C   -3.6673861   15.1661919    3.3192259  0.00    0.0014223    0.0010421    0.0009414
 H   -4.5571050   15.7677215    3.4623235  0.00    0.0012364   -0.0009561   -0.0001724
 C   -2.4375759   15.7046209    3.6589703  0.00   -0.0021464   -0.0018910   -0.0019398
 C    2.1595490   15.8363538    3.6743431  0.00    0.0002611   -0.0000398   -0.0004974
 C    3.4196731   15.3774480    3.3306248  0.00   -0.0012359   -0.0047824   -0.0021075
 H    4.2717824   16.0289662    3.4830730  0.00   -0.0001897   -0.0000742    0.0002240
 C    3.5884511   14.0953526    2.7920550  0.00   -0.0012418   -0.0009399   -0.0000348
 C    2.4665683   13.3005135    2.5985705  0.00   -0.0018886    0.0021191    0.0011901
 H    2.5885416   12.3098200    2.1851598  0.00   -0.0012110   -0.0017048   -0.0011335
 C   -0.0509335   12.8457085    2.7035665  0.00   -0.0007651   -0.0022751   -0.0002956
 C   -1.3246879   13.6526564    2.9171425  0.00    0.0005005    0.0007446    0.0006971
 C   -1.3061276   14.9153823    3.4507189  0.00    0.0019457   -0.0019023   -0.0005403
 C    1.0766144   14.9843880    3.4558335  0.00   -0.0011337    0.0013959    0.0003647
 C    1.1717966   13.7272292    2.9183886  0.00    0.0010039   -0.0024513   -0.0009085
 C   -0.0160713   11.6857860    3.7121529  0.00   -0.0000585   -0.0004376    0.0023652
 H   -0.0274776   12.0543644    4.7396771  0.00    0.0000448    0.0017251   -0.0007981
 H    0.8869773   11.0878918    3.5735044  0.00    0.0014058   -0.0006581    0.0013454
 H   -0.8810328   11.0340215    3.5732945  0.00   -0.0013344   -0.0004234    0.0009933
 C   -0.0333057   12.2776078    1.2783636  0.00   -0.0001362    0.0010872    0.0007371
 H   -0.8908491   11.6255124    1.1100514  0.00   -0.0009222    0.0009376   -0.0008412
 H    0.8625114   11.6789886    1.1109236  0.00    0.0007067    0.0006110   -0.0011437
 H   -0.0572545   13.0754954    0.5340185  0.00   -0.0001884    0.0011999    0.0026731
 C   -5.1308085   13.3094138    2.4234832  0.00   -0.0009955   -0.0004615   -0.0004840
 C   -6.0206581   13.2862072    3.6715450  0.00    0.0009961    0.0013406    0.0000015
 H   -5.5757666   12.6720612    4.4582027  0.00   -0.0021364    0.0018862    0.0009220
 H   -6.9990788   12.8661473    3.4259617  0.00   -0.0016694    0.0018919    0.0004715
 H   -6.1848489   14.2873805    4.0753627  0.00    0.0007271    0.0010716   -0.0005220
 C   -5.7771801   14.1959324    1.3522063  0.00    0.0009317    0.0007723    0.0009710
 H   -5.9157143   15.2221335    1.6994470  0.00    0.0010711    0.0001994    0.0016078
 H   -6.7606632   13.8024911    1.0835226  0.00   -0.0011178    0.0011054    0.0006167
 H   -5.1658649   14.2240508    0.4467739  0.00   -0.0009706    0.0019007    0.0008543
 C   -5.0466347   11.8869869    1.8760104  0.00    0.0008885   -0.0001588   -0.0001372
 H   -4.4567278   11.8360271    0.9575022  0.00   -0.0001488   -0.0004289    0.0003846
 H   -6.0511674   11.5313079    1.6384506  0.00   -0.0009103   -0.0006320   -0.0009581
 H   -4.6182446   11.1939229    2.6043632  0.00   -0.0004326   -0.0004408   -0.0009574
 C    4.9939830   13.6125627    2.4363321  0.00   -0.0009371   -0.0003799   -0.0001461
 C    5.6066894   14.5504338    1.3895942  0.00   -0.0004994    0.0014195    0.0005478
 H    6.6110357   14.2108126    1.1247739  0.00    0.0008676    0.0013062    0.0008370
 H    5.6925896   15.5750861    1.7578386  0.00   -0.0015113   -0.0001200    0.0017908
 H    5.0045318   14.5664218    0.4777381  0.00    0.0005612    0.0018030    0.0009975
 C    5.8667432   13.6153527    3.6968482  0.00   -0.0003819    0.0014416    0.0006354
 H    5.4468943   12.9612857    4.4648559  0.00    0.0018984    0.0019475    0.0007090
 H    5.9667577   14.6160857    4.1224612  0.00   -0.0010774    0.0007559   -0.0008692
 H    6.8710142   13.2567328    3.4580202  0.00    0.0012883    0.0021518    0.0006624
 C    4.9940134   12.1976444    1.8635109  0.00   -0.0005098   -0.0006189   -0.0002602
 H    4.6005103   11.4683692    2.5759582  0.00    0.0001406   -0.0000074   -0.0008540
 H    6.0187711   11.9033415    1.6283120  0.00    0.0006561   -0.0006906   -0.0007822
 H    4.4143441   12.1301116    0.9395432  0.00    0.0000798   -0.0001514    0.0004765
 C   -3.1567012   17.9901177    4.2665445  0.00   -0.0010246   -0.0045976    0.0011917
 C   -3.9287551   18.1678932    5.4387407  0.00   -0.0006345    0.0013209   -0.0009959
 C   -4.8449864   19.2145227    5.4802841  0.00    0.0021029   -0.0006522   -0.0008765
 H   -5.4469806   19.3553909    6.3702370  0.00    0.0003225   -0.0004670   -0.0003766
 C   -5.0122811   20.0683855    4.4080152  0.00    0.0020882    0.0004948    0.0003900
 H   -5.7368588   20.8726584    4.4605052  0.00    0.0001963    0.0002902    0.0002225
 C   -4.2532887   19.8943000    3.2650866  0.00    0.0010863    0.0002585    0.0021190
 H   -4.3976885   20.5675899    2.4296196  0.00    0.0018334    0.0015729    0.0007736
 C   -3.3202361   18.8684724    3.1644581  0.00   -0.0001259    0.0027215   -0.0015251
 C   -2.5688997   18.6880333    1.8607281  0.00    0.0010796   -0.0004767    0.0000290
 H   -1.6501939   18.1230955    2.0715279  0.00    0.0001424    0.0001828   -0.0014993
 C   -3.3854785   17.8529867    0.8715590  0.00   -0.0007424   -0.0010364    0.0006972
 H   -3.6316904   16.8702530    1.2730717  0.00    0.0020754    0.0000425   -0.0007388
 H   -2.8286229   17.7122360   -0.0577659  0.00    0.0005578    0.0007051   -0.0011294
 H   -4.3192650   18.3671801    0.6293450  0.00   -0.0018929   -0.0007163   -0.0014478
 C   -2.1751111   20.0108529    1.2110498  0.00   -0.0010461    0.0013016    0.0002323
 H   -3.0478837   20.5443903    0.8297409  0.00    0.0005602    0.0002868   -0.0005510
 H   -1.5208316   19.8279167    0.3574666  0.00   -0.0000046   -0.0003753   -0.0004613
 H   -1.6561315   20.6786301    1.9027262  0.00    0.0001617    0.0006540    0.0002816
 C   -3.8393183   17.2378117    6.6276724  0.00   -0.0000716   -0.0021768   -0.0000217
 H   -2.9632727   16.6016502    6.4865143  0.00   -0.0013302   -0.0006022    0.0012011
 C   -5.0614110   16.3214076    6.6990017  0.00   -0.0014486   -0.0005889   -0.0004482
 H   -5.9796992   16.9041744    6.8067906  0.00   -0.0024350   -0.0012739    0.0009183
 H   -4.9857796   15.6552669    7.5617939  0.00   -0.0013486    0.0000046   -0.0001262
 H   -5.1530877   15.7018505    5.8064081  0.00   -0.0002092    0.0006214    0.0002070
 C   -3.6810115   17.9950324    7.9454958  0.00   -0.0006704   -0.0014132    0.0009842
 H   -2.8759199   18.7335478    7.9083819  0.00   -0.0002840   -0.0004300   -0.0001482
 H   -3.4631206   17.2981650    8.7581888  0.00   -0.0031665   -0.0012672   -0.0006071
 H   -4.5955597   18.5270931    8.2164589  0.00   -0.0010494   -0.0001018   -0.0000456
 C    2.7226446   18.1650358    4.2808319  0.00    0.0034885    0.0011796   -0.0029315
 C    2.8499604   19.0079583    3.1484299  0.00    0.0017874    0.0026325    0.0029994
 C    3.6851078   20.1163644    3.2334227  0.00   -0.0044876   -0.0033461    0.0002800
 H    3.8012972   20.7625432    2.3715972  0.00   -0.0013426    0.0020886    0.0000424
 C    4.3805968   20.4046378    4.3931873  0.00   -0.0005525    0.0015920    0.0004750
 H    5.0269162   21.2735565    4.4367623  0.00   -0.0004140    0.0004023    0.0003090
 C    4.2567545   19.5773656    5.4930443  0.00    0.0023868    0.0035205    0.0013515
 H    4.8169427   19.8037717    6.3926458  0.00   -0.0010591   -0.0007612   -0.0023029
 C    3.4443001   18.4482718    5.4647801  0.00   -0.0034237   -0.0043631   -0.0002952
 C    3.4245587   17.5334934    6.6689689  0.00    0.0004660   -0.0012567   -0.0007499
 H    2.5987393   16.8312868    6.5384224  0.00    0.0014521   -0.0001293    0.0009601
 C    4.7122702   16.7108941    6.7402924  0.00    0.0022998    0.0006280    0.0001751
 H    4.8462699   16.0950687    5.8501835  0.00   -0.0000623    0.0005965    0.0002778
 H    4.6901651   16.0459384    7.6069626  0.00    0.0012846   -0.0001177    0.0003975
 H    5.5846551   17.3617756    6.8400564  0.00    0.0019445   -0.0014616    0.0005264
 C    3.2154394   18.2881015    7.9802615  0.00    0.0016063   -0.0002762    0.0006323
 H    4.0843893   18.8970369    8.2393613  0.00    0.0001404   -0.0004687   -0.0002704
 H    3.0636673   17.5827461    8.8006211  0.00    0.0019601   -0.0000402   -0.0006373
 H    2.3503336   18.9555693    7.9447542  0.00    0.0003631    0.0005127   -0.0011147
 C    2.1620980   18.7119321    1.8326484  0.00   -0.0025225   -0.0016150   -0.0023173
 H    1.4021715   17.9419876    2.0115039  0.00    0.0004563    0.0009500   -0.0011700
 C    1.4690162   19.9390608    1.2487877  0.00    0.0004634    0.0014055   -0.0000518
 H    0.7813604   20.4040920    1.9599972  0.00   -0.0007720    0.0005825   -0.0002077
 H    0.9009689   19.6635059    0.3585111  0.00    0.0010399   -0.0011577   -0.0018781
 H    2.1888332   20.7020517    0.9461269  0.00   -0.0007285   -0.0001490   -0.0000604
 C    3.1517791   18.1355427    0.8186865  0.00    0.0024315   -0.0006755    0.0008232
 H    3.9423961   18.8585376    0.6024266  0.00    0.0014043    0.0002206   -0.0016799
 H    2.6431944   17.9035833   -0.1199481  0.00   -0.0008267   -0.0002223   -0.0002282
 H    3.6178274   17.2210285    1.1866554  0.00   -0.0009514   -0.0005064    0.0000859
 C   -0.1909410   16.9635064    7.1166468  0.00    0.0002327    0.0007554   -0.0006709
 H    0.6625755   17.5090805    7.5556884  0.00    0.0004472   -0.0014875    0.0025508
 H   -1.0940669   17.4352615    7.5409579  0.00    0.0000972   -0.0019172    0.0028541
 C    1.4374035   14.3304363    7.2863884  0.00   -0.0004851    0.0010980    0.0001900
 H    1.5471850   14.2876953    6.1995570  0.00   -0.0005252    0.0000665    0.0001880
 H    1.4151984   13.3006078    7.6553263  0.00    0.0006731    0.0010690    0.0006467
 H    2.3365999   14.7974719    7.6956795  0.00   -0.0014618    0.0006945    0.0000063
 C   -0.1320965   15.3082534    9.7077274  0.00   -0.0001699    0.0017669    0.0012705
 H    0.7293997   15.8667477   10.0836557  0.00    0.0011816    0.0006685   -0.0010203
 H   -0.0965494   14.3090692   10.1511533  0.00    0.0000302   -0.0014074   -0.0039145
 H   -1.0331836   15.8027582   10.0803914  0.00   -0.0015116    0.0003826   -0.0011880
 C   -1.6121476   14.2161234    7.2770005  0.00    0.0005467    0.0015959   -0.0000070
 H   -2.5453262   14.6134821    7.6838040  0.00    0.0009588    0.0005784   -0.0000490
 H   -1.5152528   13.1892600    7.6419996  0.00    0.0002270    0.0011791    0.0012071
 H   -1.7136830   14.1700115    6.1894894  0.00    0.0001177   -0.0001430    0.0002158
129
 Energy =   -2867.2895458960
 O   -0.1332178   15.5590180    3.8320745  0.00   -0.0029708    0.0011390   -0.0008644
Th   -0.2010499   17.7659557    4.8670494  0.00    0.0011210    0.0025617    0.0023629
Si   -0.1247287   15.2181023    7.8375885  0.00    0.0008000    0.0022109    0.0024499
 N   -2.1736209   16.9602043    4.1923697  0.00    0.0000000   -0.0010087    0.0017026
 N    1.8201156   17.0642884    4.2263443  0.00   -0.0028848   -0.0051831    0.0021260
 C   -2.5907773   13.1461625    2.5964436  0.00   -0.0039917   -0.0016532   -0.0014228
 H   -2.6527129   12.1486360    2.1860576  0.00    0.0031296   -0.0011698   -0.0008019
 C   -3.7588184   13.8726667    2.7856763  0.00    0.0070083   -0.0035240   -0.0004855
 C   -3.6679809   15.1647485    3.3181236  0.00    0.0029702    0.0006375    0.0008677
 H   -4.5579012   15.7661044    3.4602644  0.00    0.0018245    0.0007312    0.0007474
 C   -2.4380512   15.7032541    3.6580780  0.00   -0.0041628   -0.0026326   -0.0022194
 C    2.1600964   15.8346323    3.6735077  0.00   -0.0022845   -0.0005771    0.0006736
 C    3.4201991   15.3755694    3.3297479  0.00   -0.0020660   -0.0009869   -0.0008965
 H    4.2726574   16.0268481    3.4817181  0.00   -0.0021970   -0.0000003    0.0007468
 C    3.5885973   14.0936835    2.7911562  0.00    0.0020004   -0.0031862   -0.0015331
 C    2.4668130   13.2990045    2.5978164  0.00   -0.0060224   -0.0010545    0.0003140
 H    2.5891715   12.3085104    2.1840512  0.00   -0.0025474   -0.0020281   -0.0008358
 C   -0.0511812   12.8442993    2.7033707  0.00    0.0006331   -0.0034909   -0.0000575
 C   -1.3251806   13.6511248    2.9167602  0.00    0.0047771    0.0010109    0.0019748
 C   -1.3066419   14.9138289    3.4503846  0.00    0.0059601   -0.0020525   -0.0009877
 C    1.0768022   14.9826709    3.4554524  0.00    0.0014121    0.0006531   -0.0010085
 C    1.1719723   13.7255245    2.9179373  0.00   -0.0007372   -0.0018832   -0.0000898
 C   -0.0163686   11.6837567    3.7111696  0.00   -0.0004094   -0.0024671    0.0023288
 H   -0.0278824   12.0502623    4.7393005  0.00    0.0001456    0.0049251    0.0005670
 H    0.8865873   11.0859297    3.5717476  0.00    0.0016577   -0.0009547    0.0013706
 H   -0.8813263   11.0322206    3.5713327  0.00   -0.0015178   -0.0010359    0.0010775
 C   -0.0335528   12.2752558    1.2786671  0.00   -0.0004644    0.0002037    0.0008368
 H   -0.8913685   11.6231129    1.1116473  0.00    0.0008003    0.0006690   -0.0024584
 H    0.8624488   11.6765273    1.1123881  0.00   -0.0008275    0.0001852   -0.0024349
 H   -0.0574515   13.0720792    0.5332915  0.00   -0.0003010    0.0025757    0.0024596
 C   -5.1309285   13.3078055    2.4216051  0.00   -0.0014706   -0.0015922   -0.0016458
 C   -6.0213903   13.2844599    3.6691982  0.00    0.0006554    0.0024236   -0.0002044
 H   -5.5766237   12.6712212    4.4566912  0.00   -0.0019662    0.0028158    0.0002878
 H   -6.9994359   12.8636232    3.4235536  0.00   -0.0019934    0.0018218   -0.0001731
 H   -6.1864245   14.2861382    4.0715277  0.00    0.0006405   -0.0003612    0.0010921
 C   -5.7767466   14.1949081    1.3504412  0.00    0.0004368    0.0021827    0.0017092
 H   -5.9162234   15.2204967    1.6992653  0.00    0.0013350   -0.0000586    0.0000729
 H   -6.7598720   13.8014697    1.0805018  0.00   -0.0010974    0.0004819    0.0005516
 H   -5.1646804   14.2247824    0.4454930  0.00   -0.0015011    0.0012481    0.0022222
 C   -5.0461834   11.8855402    1.8736459  0.00   -0.0007980    0.0002529    0.0001588
 H   -4.4558297   11.8349386    0.9553990  0.00   -0.0000516   -0.0005290    0.0007194
 H   -6.0505575   11.5297790    1.6354828  0.00   -0.0009628   -0.0001393   -0.0012621
 H   -4.6184376   11.1921533    2.6020404  0.00    0.0005285   -0.0003528   -0.0008289
 C    4.9939316   13.6107423    2.4346390  0.00   -0.0030613    0.0000558   -0.0001611
 C    5.6059763   14.5491105    1.3879186  0.00   -0.0001880    0.0019271    0.0015334
 H    6.6099080   14.2093224    1.1219277  0.00    0.0015910    0.0010098    0.0006123
 H    5.6928437   15.5731995    1.7575807  0.00   -0.0016125   -0.0001614    0.0003951
 H    5.0031214   14.5666639    0.4765039  0.00    0.0006171    0.0011325    0.0021640
 C    5.8672784   13.6139115    3.6947413  0.00   -0.0003098    0.0022168   -0.0001129
 H    5.4476979   12.9609552    4.4638747  0.00    0.0013660    0.0024681   -0.0000523
 H    5.9680355   14.6153169    4.1186713  0.00   -0.0007686   -0.0004814    0.0005168
 H    6.8711887   13.2545131    3.4557624  0.00    0.0021194    0.0021832    0.0003563
 C    4.9936153   12.1959032    1.8615916  0.00    0.0006457    0.0002291    0.0001460
 H    4.6008282   11.4663544    2.5741843  0.00   -0.0004285    0.0004400   -0.0013434
 H    6.0183536   11.9019823    1.6259602  0.00    0.0010361   -0.0012538   -0.0013160
 H    4.4136168   12.1285219    0.9377813  0.00    0.0002479   -0.0004181    0.0013125
 C   -3.1548416   17.9903655    4.2664637  0.00    0.0003504   -0.0008136    0.0020905
 C   -3.9262418   18.1679888    5.4391152  0.00    0.0003275    0.0041004   -0.0031442
 C   -4.8381690   19.2183626    5.4837708  0.00    0.0029976   -0.0014086   -0.0014065
 H   -5.4392164   19.3596371    6.3743962  0.00    0.0004028   -0.0011529   -0.0023920
 C   -5.0012816   20.0760688    4.4140373  0.00   -0.0001888    0.0002003   -0.0001659
 H   -5.7225550   20.8830307    4.4684329  0.00   -0.0009821    0.0020881    0.0009219
 C   -4.2426409   19.9024880    3.2708517  0.00   -0.0006241    0.0012623   -0.0007650
 H   -4.3835258   20.5793902    2.4376665  0.00    0.0008203    0.0004598    0.0024073
 C   -3.3142676   18.8729370    3.1670074  0.00    0.0010017    0.0003802   -0.0006166
 C   -2.5637132   18.6926580    1.8627477  0.00    0.0011526   -0.0007640    0.0008664
 H   -1.6411603   18.1334090    2.0738624  0.00   -0.0039147    0.0013318   -0.0033271
 C   -3.3775616   17.8502415    0.8775154  0.00   -0.0002727   -0.0015300   -0.0009517
 H   -3.6177846   16.8674416    1.2822136  0.00    0.0007300   -0.0002963   -0.0006991
 H   -2.8215223   17.7093885   -0.0522566  0.00    0.0012072    0.0012704   -0.0015143
 H   -4.3144632   18.3587911    0.6349207  0.00    0.0001319   -0.0008746    0.0002654
 C   -2.1785497   20.0152860    1.2077632  0.00    0.0002040    0.0016865   -0.0019726
 H   -3.0550528   20.5420959    0.8253847  0.00    0.0020886   -0.0004779   -0.0003370
 H   -1.5246261   19.8327116    0.3538196  0.00    0.0004242   -0.0002024   -0.0001128
 H   -1.6624664   20.6889489    1.8957748  0.00    0.0010504    0.0002202    0.0014074
 C   -3.8402789   17.2349806    6.6256346  0.00    0.0010231   -0.0037606    0.0012520
 H   -2.9648949   16.5973603    6.4849041  0.00   -0.0042661    0.0023223    0.0015525
 C   -5.0644053   16.3208577    6.6924949  0.00   -0.0022011   -0.0012428   -0.0003961
 H   -5.9817639   16.9051206    6.8014155  0.00   -0.0004196   -0.0020704    0.0008461
 H   -4.9907840   15.6513556    7.5527424  0.00   -0.0016660    0.0000519    0.0020455
 H   -5.1566287   15.7043509    5.7979113  0.00    0.0002769    0.0008383   -0.0007864
 C   -3.6841845   17.9892354    7.9453813  0.00   -0.0017348   -0.0007262    0.0025220
 H   -2.8793525   18.7281706    7.9124828  0.00    0.0010196   -0.0011047   -0.0027065
 H   -3.4680139   17.2904987    8.7566956  0.00   -0.0029415   -0.0029611    0.0019479
 H   -4.5993899   18.5205809    8.2156989  0.00   -0.0006775   -0.0011551    0.0005851
 C    2.7208399   18.1646184    4.2805178  0.00    0.0014614    0.0059505   -0.0030682
 C    2.8442798   19.0099688    3.1493754  0.00    0.0007875    0.0009633    0.0023501
 C    3.6749891   20.1214409    3.2357011  0.00   -0.0041456   -0.0047902    0.0021198
 H    3.7879490   20.7692321    2.3747264  0.00    0.0004510    0.0027658    0.0013390
 C    4.3692740   20.4106157    4.3959518  0.00    0.0023740    0.0034299   -0.0009203
 H    5.0120977   21.2819237    4.4402755  0.00    0.0011810    0.0024558    0.0012580
 C    4.2490653   19.5817224    5.4949643  0.00    0.0012155    0.0021816   -0.0021004
 H    4.8078689   19.8094974    6.3951104  0.00   -0.0007240   -0.0007894   -0.0037809
 C    3.4413209   18.4492806    5.4648634  0.00   -0.0045014   -0.0052640    0.0002632
 C    3.4251122   17.5329687    6.6678670  0.00    0.0035531    0.0006570    0.0000550
 H    2.6002846   16.8292835    6.5384142  0.00    0.0018860    0.0011644    0.0008349
 C    4.7148273   16.7129391    6.7358096  0.00    0.0025285    0.0005565    0.0006982
 H    4.8498705   16.0999118    5.8439900  0.00   -0.0006907    0.0004664   -0.0007202
 H    4.6947118   16.0451922    7.6003325  0.00    0.0010828    0.0001509    0.0016732
 H    5.5859924   17.3654271    6.8371100  0.00   -0.0000121   -0.0021223   -0.0000666
 C    3.2184123   18.2863159    7.9803113  0.00    0.0025505   -0.0010015    0.0007799
 H    4.0880538   18.8950687    8.2378775  0.00   -0.0013358   -0.0015268    0.0003546
 H    3.0688951   17.5799632    8.8000378  0.00    0.0017815   -0.0011264    0.0017304
 H    2.3531549   18.9537032    7.9481154  0.00   -0.0003477    0.0002047   -0.0027852
 C    2.1575832   18.7128014    1.8332466  0.00   -0.0015483   -0.0002108   -0.0031145
 H    1.3943345   17.9461465    2.0128520  0.00    0.0011878    0.0013795   -0.0020219
 C    1.4708921   19.9406226    1.2432788  0.00   -0.0006164    0.0005046   -0.0016242
 H    0.7843240   20.4120766    1.9511450  0.00   -0.0019917    0.0001656    0.0006116
 H    0.9033417   19.6635717    0.3530978  0.00    0.0003975   -0.0009424   -0.0008676
 H    2.1945410   20.6989139    0.9378967  0.00   -0.0011165   -0.0006473    0.0002815
 C    3.1475615   18.1297854    0.8233433  0.00    0.0018149   -0.0014227   -0.0010134
 H    3.9408930   18.8496463    0.6064510  0.00    0.0012573   -0.0000500   -0.0004992
 H    2.6406414   17.8963129   -0.1158057  0.00   -0.0020842    0.0003883   -0.0002267
 H    3.6094539   17.2148782    1.1951706  0.00    0.0009164   -0.0011550    0.0002881
 C   -0.1912203   16.9634886    7.1166196  0.00   -0.0000731    0.0002964    0.0002898
 H    0.6622536   17.5097117    7.5549816  0.00    0.0014274   -0.0009027    0.0023274
 H   -1.0941037   17.4360232    7.5405860  0.00   -0.0009576   -0.0012936    0.0023151
 C    1.4373354   14.3317429    7.2917854  0.00   -0.0019435    0.0012588   -0.0003141
 H    1.5449064   14.2883041    6.2047174  0.00    0.0011732   -0.0010246    0.0002222
 H    1.4161305   13.3022206    7.6617226  0.00    0.0005635    0.0018882    0.0002003
 H    2.3369732   14.7997794    7.6990369  0.00   -0.0022876    0.0004872    0.0000708
 C   -0.1327462   15.3140120    9.7119612  0.00   -0.0002547    0.0021125    0.0028872
 H    0.7285767   15.8730370   10.0874769  0.00    0.0018700    0.0012041   -0.0021273
 H   -0.0972116   14.3158574   10.1575588  0.00    0.0001999   -0.0032215   -0.0044631
 H   -1.0337418   15.8089646   10.0842981  0.00   -0.0019505    0.0007871   -0.0028160
 C   -1.6118005   14.2163240    7.2823184  0.00    0.0015758    0.0028100   -0.0012499
 H   -2.5458594   14.6137334    7.6871686  0.00    0.0020682    0.0004598   -0.0003046
 H   -1.5149747   13.1897636    7.6481664  0.00    0.0003370    0.0014623    0.0009348
 H   -1.7108830   14.1697916    6.1945476  0.00   -0.0018525   -0.0015279    0.0004802
129
 Energy =   -2867.2895513230
 O   -0.1332521   15.5589955    3.8320665  0.00   -0.0013921    0.0007882   -0.0009048
Th   -0.2010060   17.7658471    4.8670028  0.00    0.0003350    0.0018401    0.0013689
Si   -0.1247276   15.2184340    7.8382415  0.00    0.0005806    0.0015732    0.0017547
 N   -2.1736626   16.9600139    4.1922066  0.00    0.0004686   -0.0003965    0.0011808
 N    1.8201510   17.0639688    4.2263395  0.00   -0.0023037   -0.0017105    0.0020041
 C   -2.5907110   13.1460058    2.5963662  0.00    0.0003308   -0.0010552   -0.0005692
 H   -2.6524154   12.1485285    2.1860042  0.00    0.0028177   -0.0022113   -0.0012250
 C   -3.7586414   13.8723715    2.7855387  0.00    0.0029363   -0.0016057   -0.0003562
 C   -3.6679469   15.1645223    3.3179773  0.00    0.0022697   -0.0004116   -0.0002006
 H   -4.5578470   15.7658575    3.4599655  0.00    0.0013534    0.0009141    0.0008348
 C   -2.4381541   15.7030844    3.6579018  0.00    0.0000601   -0.0024532   -0.0006977
 C    2.1600971   15.8344551    3.6734190  0.00   -0.0014102   -0.0013829    0.0003238
 C    3.4201521   15.3752990    3.3295906  0.00   -0.0017908   -0.0019653   -0.0010506
 H    4.2726011   16.0265204    3.4814971  0.00   -0.0016665    0.0005035    0.0009312
 C    3.5885428   14.0933690    2.7910181  0.00   -0.0016194   -0.0018378   -0.0009948
 C    2.4665812   13.2988039    2.5977515  0.00   -0.0031265    0.0001723    0.0005643
 H    2.5888771   12.3083791    2.1839676  0.00   -0.0025969   -0.0030574   -0.0011637
 C   -0.0511825   12.8441395    2.7034051  0.00    0.0000622   -0.0021342    0.0004563
 C   -1.3250640   13.6510877    2.9168064  0.00    0.0028372   -0.0020077    0.0006056
 C   -1.3065237   14.9137255    3.4503638  0.00    0.0018235   -0.0003855   -0.0007508
 C    1.0767847   14.9826106    3.4554135  0.00   -0.0002064   -0.0010021   -0.0010235
 C    1.1718569   13.7254078    2.9179341  0.00   -0.0000463   -0.0013985    0.0001124
 C   -0.0164118   11.6836925    3.7113581  0.00   -0.0000600   -0.0011770    0.0022159
 H   -0.0279290   12.0505978    4.7393984  0.00    0.0001193    0.0041536    0.0001235
 H    0.8866692   11.0859819    3.5720628  0.00    0.0009690   -0.0012512    0.0014023
 H   -0.8814936   11.0322916    3.5716155  0.00   -0.0010728   -0.0014403    0.0011128
 C   -0.0335981   12.2753220    1.2786591  0.00   -0.0001524    0.0006309    0.0004274
 H   -0.8914828   11.6233588    1.1115177  0.00    0.0007063   -0.0000837   -0.0025134
 H    0.8624575   11.6767407    1.1122257  0.00   -0.0009999   -0.0003519   -0.0024169
 H   -0.0574985   13.0723144    0.5334434  0.00   -0.0003024    0.0023956    0.0025765
 C   -5.1307942   13.3074805    2.4212720  0.00   -0.0002014   -0.0002879   -0.0006588
 C   -6.0214028   13.2843444    3.6687528  0.00    0.0006219    0.0019350   -0.0000692
 H   -5.5768927   12.6713387    4.4565518  0.00   -0.0015971    0.0024120    0.0001379
 H   -6.9994760   12.8635807    3.4230826  0.00   -0.0019235    0.0017283   -0.0002321
 H   -6.1863507   14.2861192    4.0707925  0.00    0.0003284   -0.0000155    0.0012897
 C   -5.7766496   14.1947916    1.3503082  0.00    0.0005375    0.0015185    0.0014847
 H   -5.9160786   15.2202278    1.6994834  0.00    0.0009498    0.0003729    0.0000741
 H   -6.7597892   13.8013550    1.0803513  0.00   -0.0008139    0.0006901    0.0004744
 H   -5.1646634   14.2250744    0.4453473  0.00   -0.0012454    0.0008684    0.0019916
 C   -5.0458116   11.8852853    1.8732858  0.00   -0.0012276   -0.0001890   -0.0000493
 H   -4.4552719   11.8347652    0.9551562  0.00   -0.0002587   -0.0003923    0.0005402
 H   -6.0501147   11.5293990    1.6349561  0.00   -0.0008190   -0.0001278   -0.0012268
 H   -4.6180131   11.1918798    2.6016420  0.00    0.0002606   -0.0001988   -0.0006579
 C    4.9936765   13.6104129    2.4343777  0.00   -0.0012183    0.0002352   -0.0001178
 C    5.6058083   14.5489351    1.3878091  0.00   -0.0003062    0.0015064    0.0016389
 H    6.6097723   14.2091528    1.1218379  0.00    0.0011488    0.0011993    0.0005632
 H    5.6926083   15.5728853    1.7578223  0.00   -0.0012297    0.0000041    0.0002180
 H    5.0030150   14.5668747    0.4763880  0.00    0.0004362    0.0007622    0.0019236
 C    5.8672564   13.6138178    3.6943376  0.00   -0.0002791    0.0019969   -0.0001326
 H    5.4479651   12.9611333    4.4638264  0.00    0.0009392    0.0019711   -0.0001296
 H    5.9679286   14.6153481    4.1179265  0.00   -0.0004889   -0.0001983    0.0007696
 H    6.8712000   13.2545145    3.4553165  0.00    0.0018998    0.0020889    0.0002369
 C    4.9931958   12.1955942    1.8613124  0.00    0.0011500    0.0001342   -0.0000214
 H    4.6003376   11.4660510    2.5738685  0.00   -0.0001706    0.0004746   -0.0011280
 H    6.0178959   11.9015544    1.6255321  0.00    0.0006025   -0.0011157   -0.0011834
 H    4.4130251   12.1282858    0.9376122  0.00    0.0004434   -0.0003520    0.0010991
 C   -3.1546193   17.9904129    4.2664170  0.00    0.0023274   -0.0011835    0.0030693
 C   -3.9258105   18.1680020    5.4391334  0.00    0.0000240    0.0029745   -0.0030314
 C   -4.8370779   19.2188809    5.4842123  0.00    0.0025208   -0.0008277   -0.0011984
 H   -5.4380500   19.3600976    6.3748439  0.00   -0.0000983   -0.0009315   -0.0016095
 C   -4.9996072   20.0772237    4.4149231  0.00   -0.0005196   -0.0001716   -0.0006510
 H   -5.7203748   20.8846195    4.4696652  0.00   -0.0009740    0.0020700    0.0009670
 C   -4.2410771   19.9036277    3.2716763  0.00   -0.0009255    0.0021232   -0.0004778
 H   -4.3814541   20.5810683    2.4389006  0.00    0.0006987    0.0006895    0.0019356
 C   -3.3133924   18.8735706    3.1674086  0.00    0.0013171   -0.0005568   -0.0022368
 C   -2.5629736   18.6932161    1.8630313  0.00   -0.0005592   -0.0000758    0.0003897
 H   -1.6399685   18.1347280    2.0741112  0.00   -0.0037144    0.0012726   -0.0033272
 C   -3.3764511   17.8497531    0.8782502  0.00    0.0011568   -0.0018434   -0.0004380
 H   -3.6156952   16.8668912    1.2833895  0.00    0.0004196    0.0000993   -0.0009726
 H   -2.8203199   17.7089639   -0.0514978  0.00    0.0008658    0.0012847   -0.0013851
 H   -4.3137759   18.3574194    0.6354719  0.00    0.0002138   -0.0007043    0.0006556
 C   -2.1790767   20.0158363    1.2072201  0.00    0.0012869    0.0010651   -0.0008409
 H   -3.0560742   20.5415438    0.8245922  0.00    0.0015415   -0.0000476   -0.0005015
 H   -1.5251714   19.8331927    0.3533136  0.00    0.0008563    0.0000319   -0.0004299
 H   -1.6634752   20.6904195    1.8947555  0.00    0.0008128   -0.0003528    0.0008446
 C   -3.8404188   17.2344006    6.6252683  0.00   -0.0002732   -0.0019045    0.0014069
 H   -2.9652221   16.5965768    6.4845614  0.00   -0.0037163    0.0020368    0.0014772
 C   -5.0649055   16.3207025    6.6915599  0.00   -0.0013050   -0.0020758   -0.0002424
 H   -5.9821358   16.9050770    6.8007093  0.00   -0.0005656   -0.0015161    0.0006672
 H   -4.9914828   15.6508403    7.5515435  0.00   -0.0017976   -0.0001044    0.0020423
 H   -5.1571577   15.7045492    5.7967548  0.00    0.0001383    0.0007983   -0.0009466
 C   -3.6846633   17.9881882    7.9453319  0.00   -0.0011935   -0.0012124    0.0024652
 H   -2.8798664   18.7272347    7.9130687  0.00    0.0009229   -0.0017437   -0.0027993
 H   -3.4688995   17.2889990    8.7563696  0.00   -0.0026068   -0.0025682    0.0022190
 H   -4.5999671   18.5193650    8.2155142  0.00   -0.0011526   -0.0008750    0.0008510
 C    2.7206233   18.1646513    4.2803984  0.00   -0.0021591    0.0022362   -0.0014178
 C    2.8434271   19.0102422    3.1494635  0.00    0.0018272    0.0011080    0.0021747
 C    3.6735211   20.1220817    3.2360909  0.00   -0.0035491   -0.0027312    0.0005242
 H    3.7861479   20.7701177    2.3752409  0.00    0.0003538    0.0025479    0.0016911
 C    4.3676352   20.4115537    4.3963519  0.00    0.0019654    0.0019383   -0.0005677
 H    5.0099446   21.2832115    4.4408932  0.00    0.0012708    0.0025909    0.0011434
 C    4.2478696   19.5823105    5.4951646  0.00    0.0013773    0.0023070   -0.0013639
 H    4.8065154   19.8102231    6.3953785  0.00   -0.0006437   -0.0007273   -0.0037071
 C    3.4407698   18.4493741    5.4648794  0.00   -0.0022927   -0.0032682   -0.0012755
 C    3.4252588   17.5328002    6.6675988  0.00    0.0027103   -0.0001348    0.0014082
 H    2.6005790   16.8288080    6.5383291  0.00    0.0024607    0.0017995    0.0007295
 C    4.7152670   16.7131637    6.7351256  0.00    0.0023585    0.0007599    0.0003549
 H    4.8503237   16.1005199    5.8430767  0.00   -0.0004528    0.0001513   -0.0010284
 H    4.6954096   16.0450900    7.5993819  0.00    0.0010201   -0.0000133    0.0018976
 H    5.5863093   17.3658126    6.8365902  0.00   -0.0003147   -0.0019918   -0.0001782
 C    3.2188166   18.2858363    7.9802508  0.00    0.0031577   -0.0001079    0.0005920
 H    4.0884838   18.8946938    8.2375298  0.00   -0.0013933   -0.0016447    0.0005146
 H    3.0699168   17.5793015    8.7998821  0.00    0.0012781   -0.0014532    0.0022471
 H    2.3534964   18.9531949    7.9485860  0.00   -0.0004135   -0.0002434   -0.0028957
 C    2.1570075   18.7128307    1.8332841  0.00   -0.0013657   -0.0000803   -0.0031109
 H    1.3933477   17.9466055    2.0130548  0.00    0.0012676    0.0014460   -0.0022986
 C    1.4711293   19.9406919    1.2424252  0.00   -0.0007432    0.0002021   -0.0007353
 H    0.7847873   20.4131919    1.9498946  0.00   -0.0015971   -0.0005569   -0.0002431
 H    0.9037050   19.6632243    0.3523255  0.00   -0.0002436   -0.0006164   -0.0010345
 H    2.1953476   20.6981972    0.9365596  0.00   -0.0009671   -0.0002061    0.0001701
 C    3.1470407   18.1288409    0.8239032  0.00    0.0011171   -0.0013983   -0.0003235
 H    3.9407957   18.8482372    0.6068264  0.00    0.0007928   -0.0006224   -0.0000804
 H    2.6400661   17.8952876   -0.1151785  0.00   -0.0017957    0.0002099   -0.0006408
 H    3.6081801   17.2137409    1.1962720  0.00    0.0010764   -0.0003757   -0.0001297
 C   -0.1912422   16.9634544    7.1164788  0.00   -0.0001658   -0.0000115    0.0019060
 H    0.6622099   17.5096079    7.5550087  0.00    0.0013038   -0.0004030    0.0020758
 H   -1.0941888   17.4357595    7.5405944  0.00   -0.0008068   -0.0006564    0.0020207
 C    1.4372786   14.3319138    7.2926165  0.00   -0.0016417    0.0008675    0.0004719
 H    1.5447803   14.2882461    6.2055731  0.00    0.0011888   -0.0009760   -0.0003464
 H    1.4163342   13.3024648    7.6627890  0.00    0.0002266    0.0019830    0.0001017
 H    2.3368860   14.8000903    7.6997093  0.00   -0.0017833    0.0007631    0.0000513
 C   -0.1328402   15.3149666    9.7126046  0.00   -0.0002725    0.0017915    0.0011413
 H    0.7286168   15.8740603   10.0878000  0.00    0.0010493    0.0008005   -0.0016219
 H   -0.0973038   14.3166714   10.1579464  0.00    0.0001883   -0.0023045   -0.0036447
 H   -1.0340000   15.8099593   10.0846045  0.00   -0.0009902    0.0004079   -0.0024320
 C   -1.6116790   14.2164148    7.2831198  0.00    0.0012272    0.0023067   -0.0005490
 H   -2.5458020   14.6137995    7.6878128  0.00    0.0018225    0.0006979   -0.0003334
 H   -1.5149361   13.1899193    7.6492095  0.00    0.0005580    0.0016371    0.0007538
 H   -1.7106970   14.1696387    6.1953678  0.00   -0.0017879   -0.0014902    0.0000707
129
 Energy =   -2867.2895653310
 O   -0.1332834   15.5584542    3.8318330  0.00   -0.0000990   -0.0008690   -0.0014746
Th   -0.2008657   17.7650749    4.8665215  0.00   -0.0003953    0.0006332    0.0010133
Si   -0.1247532   15.2198927    7.8406604  0.00   -0.0000112   -0.0009595   -0.0008055
 N   -2.1737548   16.9590691    4.1913913  0.00    0.0032915   -0.0009990    0.0004952
 N    1.8202998   17.0626725    4.2261200  0.00   -0.0024640   -0.0004175   -0.0001886
 C   -2.5903330   13.1450827    2.5959752  0.00    0.0009437   -0.0018745    0.0001846
 H   -2.6514794   12.1476080    2.1855068  0.00    0.0018738   -0.0018913   -0.0008916
 C   -3.7583691   13.8711805    2.7849335  0.00    0.0019856   -0.0012240   -0.0021317
 C   -3.6679157   15.1633883    3.3172435  0.00    0.0022829   -0.0007106    0.0007137
 H   -4.5577951   15.7648289    3.4588205  0.00    0.0005724    0.0010651    0.0009991
 C   -2.4382863   15.7021367    3.6572384  0.00    0.0011498   -0.0002989    0.0000962
 C    2.1601960   15.8333774    3.6728902  0.00   -0.0026318    0.0003410    0.0010422
 C    3.4200850   15.3739063    3.3288622  0.00   -0.0020428    0.0012969    0.0009951
 H    4.2725537   16.0251366    3.4806773  0.00   -0.0012843    0.0002565    0.0008955
 C    3.5882131   14.0920686    2.7904160  0.00   -0.0023167   -0.0024066   -0.0020533
 C    2.4660018   13.2977847    2.5973640  0.00    0.0007550   -0.0027003   -0.0007742
 H    2.5879579   12.3073416    2.1833270  0.00   -0.0023536   -0.0020089   -0.0003323
 C   -0.0512335   12.8432332    2.7035274  0.00    0.0006624   -0.0005019    0.0011932
 C   -1.3248181   13.6502988    2.9167933  0.00    0.0007296   -0.0011164    0.0003299
 C   -1.3064435   14.9130066    3.4500989  0.00    0.0025669   -0.0031111   -0.0006343
 C    1.0767440   14.9818910    3.4550798  0.00   -0.0010646   -0.0041376   -0.0011675
 C    1.1716793   13.7245351    2.9177806  0.00   -0.0037072    0.0005386    0.0017166
 C   -0.0165416   11.6829265    3.7118184  0.00   -0.0004438    0.0004438    0.0004041
 H   -0.0281070   12.0507837    4.7396097  0.00    0.0000820    0.0021666   -0.0011348
 H    0.8868585   11.0854449    3.5726426  0.00   -0.0017768   -0.0011403    0.0022067
 H   -0.8820482   11.0318314    3.5720396  0.00    0.0022000   -0.0008049    0.0022378
 C   -0.0337451   12.2749820    1.2786710  0.00   -0.0006122   -0.0000507    0.0001068
 H   -0.8918596   11.6234000    1.1112967  0.00    0.0015193   -0.0009485   -0.0028967
 H    0.8623844   11.6766626    1.1118716  0.00   -0.0013790   -0.0013725   -0.0027125
 H   -0.0576784   13.0723653    0.5338762  0.00   -0.0002658    0.0025405    0.0025548
 C   -5.1304371   13.3063200    2.4200966  0.00    0.0004348   -0.0002573    0.0005699
 C   -6.0215405   13.2839024    3.6672036  0.00   -0.0019488    0.0001148   -0.0001534
 H   -5.5780936   12.6716341    4.4560299  0.00    0.0000813    0.0008816    0.0004185
 H   -6.9998914   12.8635080    3.4215836  0.00   -0.0003250    0.0019570   -0.0007397
 H   -6.1862385   14.2860202    4.0682196  0.00   -0.0001925    0.0016377    0.0019893
 C   -5.7762898   14.1943922    1.3498180  0.00   -0.0011324   -0.0003503    0.0008270
 H   -5.9156280   15.2192979    1.7002706  0.00    0.0001323    0.0020630    0.0003854
 H   -6.7595547   13.8012113    1.0796153  0.00    0.0003872    0.0010877    0.0007445
 H   -5.1646533   14.2260711    0.4448277  0.00    0.0004232    0.0000187    0.0003286
 C   -5.0450012   11.8842163    1.8718915  0.00   -0.0017834    0.0001426    0.0001225
 H   -4.4538948   11.8339629    0.9541358  0.00   -0.0004695    0.0001385   -0.0001269
 H   -6.0490653   11.5280613    1.6329404  0.00   -0.0008397   -0.0000034   -0.0011189
 H   -4.6171936   11.1906561    2.6001127  0.00   -0.0003904    0.0003893   -0.0000830
 C    4.9930677   13.6091470    2.4333881  0.00    0.0013604   -0.0001482    0.0002263
 C    5.6052200   14.5483343    1.3874276  0.00    0.0010937   -0.0005750    0.0002389
 H    6.6093437   14.2088040    1.1213303  0.00   -0.0004174    0.0016831    0.0008492
 H    5.6918370   15.5717335    1.7586636  0.00   -0.0003440    0.0019539    0.0004596
 H    5.0027062   14.5675695    0.4759345  0.00   -0.0006025   -0.0001370    0.0009271
 C    5.8672818   13.6134879    3.6929231  0.00    0.0016625   -0.0002080    0.0001332
 H    5.4491238   12.9616218    4.4636255  0.00   -0.0004870    0.0007086   -0.0002876
 H    5.9676494   14.6154170    4.1153047  0.00   -0.0000221    0.0018140    0.0018364
 H    6.8714779   13.2546228    3.4539141  0.00    0.0003049    0.0021670   -0.0004587
 C    4.9922962   12.1943911    1.8602033  0.00    0.0015287    0.0002559    0.0000884
 H    4.5993472   11.4647606    2.5726079  0.00    0.0003909    0.0006951   -0.0002592
 H    6.0168039   11.9000858    1.6239129  0.00    0.0006021   -0.0009424   -0.0010321
 H    4.4116212   12.1272508    0.9368464  0.00    0.0005197    0.0001025    0.0000957
 C   -3.1534855   17.9902318    4.2663558  0.00    0.0024741   -0.0003661   -0.0012290
 C   -3.9242553   18.1679134    5.4390723  0.00   -0.0011378   -0.0005961    0.0028607
 C   -4.8327890   19.2208751    5.4859353  0.00   -0.0005391    0.0013401   -0.0011416
 H   -5.4333984   19.3621098    6.3767377  0.00   -0.0002986   -0.0010330   -0.0012715
 C   -4.9930689   20.0816248    4.4183323  0.00   -0.0013731    0.0013511    0.0000403
 H   -5.7118473   20.8908075    4.4744058  0.00    0.0004860    0.0012413    0.0013021
 C   -4.2349150   19.9081511    3.2748560  0.00    0.0009711   -0.0002243    0.0025175
 H   -4.3731402   20.5876662    2.4437653  0.00    0.0001657    0.0032562   -0.0016047
 C   -3.3099777   18.8757462    3.1686975  0.00   -0.0004795    0.0001576   -0.0005221
 C   -2.5602751   18.6954590    1.8640182  0.00   -0.0022549    0.0025938   -0.0029706
 H   -1.6356022   18.1398459    2.0748146  0.00   -0.0007862   -0.0000431   -0.0021808
 C   -3.3719308   17.8480670    0.8808159  0.00    0.0020226    0.0002146   -0.0004290
 H   -3.6075940   16.8650035    1.2873843  0.00   -0.0001181   -0.0007434   -0.0007236
 H   -2.8156652   17.7079522   -0.0489965  0.00    0.0004802    0.0010802   -0.0010985
 H   -4.3110360   18.3524684    0.6376266  0.00    0.0014817   -0.0014692    0.0018905
 C   -2.1806280   20.0180661    1.2055468  0.00    0.0007556   -0.0014438   -0.0010519
 H   -3.0595286   20.5399192    0.8221396  0.00    0.0009346    0.0004820   -0.0009336
 H   -1.5269045   19.8353087    0.3515653  0.00    0.0020065    0.0008098   -0.0004250
 H   -1.6668221   20.6957888    1.8913727  0.00    0.0009888   -0.0006224    0.0004240
 C   -3.8411234   17.2324133    6.6241208  0.00   -0.0017479    0.0013756   -0.0008528
 H   -2.9665705   16.5938329    6.4836564  0.00   -0.0024680    0.0014733    0.0009545
 C   -5.0666824   16.3199298    6.6883238  0.00   -0.0005376   -0.0006995    0.0013444
 H   -5.9835173   16.9048369    6.7982998  0.00    0.0004367   -0.0011644   -0.0001155
 H   -4.9940136   15.6488798    7.5474462  0.00   -0.0021796   -0.0009431    0.0015431
 H   -5.1590350   15.7052621    5.7926389  0.00   -0.0004110   -0.0001654   -0.0020179
 C   -3.6863910   17.9845498    7.9452204  0.00   -0.0014798   -0.0010278    0.0027199
 H   -2.8816210   18.7239061    7.9150338  0.00   -0.0001165   -0.0046309   -0.0024485
 H   -3.4722418   17.2838638    8.7553930  0.00   -0.0016358   -0.0012456    0.0027285
 H   -4.6021110   18.5153317    8.2147265  0.00   -0.0009377   -0.0008524    0.0017779
 C    2.7195232   18.1643615    4.2799648  0.00   -0.0029706   -0.0019903    0.0028288
 C    2.8402601   19.0112469    3.1498996  0.00   -0.0030858   -0.0028780   -0.0020550
 C    3.6674611   20.1247029    3.2375616  0.00    0.0022059    0.0053547    0.0004634
 H    3.7785758   20.7739678    2.3774543  0.00   -0.0001447    0.0025337    0.0009435
 C    4.3611035   20.4151796    4.3979687  0.00    0.0009446    0.0012777    0.0001147
 H    5.0013602   21.2883982    4.4433078  0.00   -0.0000683    0.0018860    0.0005064
 C    4.2433569   19.5846956    5.4959200  0.00   -0.0022190   -0.0032161   -0.0019459
 H    4.8011728   19.8130913    6.3963288  0.00    0.0007323   -0.0000143   -0.0020703
 C    3.4388573   18.4495100    5.4646327  0.00    0.0042992    0.0031163    0.0010850
 C    3.4259073   17.5321741    6.6668864  0.00    0.0011783    0.0007367   -0.0010927
 H    2.6018701   16.8273201    6.5382630  0.00    0.0030681    0.0018601    0.0007706
 C    4.7169402   16.7139799    6.7329547  0.00   -0.0007477   -0.0022192    0.0002347
 H    4.8520206   16.1025469    5.8400874  0.00    0.0003867    0.0000227   -0.0007467
 H    4.6977991   16.0447606    7.5964696  0.00    0.0013881    0.0007551    0.0003258
 H    5.5873960   17.3670708    6.8350631  0.00    0.0007841   -0.0000876   -0.0004619
 C    3.2204198   18.2844929    7.9799593  0.00   -0.0010970   -0.0012285    0.0026413
 H    4.0900841   18.8933408    8.2362469  0.00    0.0014784    0.0004898    0.0020252
 H    3.0732031   17.5772762    8.7994306  0.00    0.0007806    0.0002747    0.0012792
 H    2.3548525   18.9518841    7.9498623  0.00    0.0013638   -0.0032239   -0.0027090
 C    2.1546008   18.7131182    1.8332458  0.00    0.0028606    0.0028872    0.0002587
 H    1.3894754   17.9486457    2.0135398  0.00   -0.0008931   -0.0004591   -0.0024106
 C    1.4718614   19.9412492    1.2394295  0.00   -0.0009139   -0.0015569   -0.0017750
 H    0.7861323   20.4173110    1.9452252  0.00   -0.0012892   -0.0017168   -0.0015638
 H    0.9050441   19.6625010    0.3493289  0.00   -0.0017875    0.0006454   -0.0004436
 H    2.1981548   20.6960426    0.9320847  0.00   -0.0001424    0.0009223   -0.0005144
 C    3.1448004   18.1254964    0.8259049  0.00   -0.0027793   -0.0012251   -0.0005469
 H    3.9400948   18.8431350    0.6082098  0.00    0.0002528   -0.0020444    0.0009384
 H    2.6376213   17.8916549   -0.1130826  0.00    0.0000364   -0.0001606   -0.0005512
 H    3.6032381   17.2098211    1.2002587  0.00    0.0016268    0.0007143   -0.0007658
 C   -0.1912923   16.9635444    7.1162724  0.00    0.0002483    0.0012517    0.0042613
 H    0.6621578   17.5093902    7.5553187  0.00    0.0004363    0.0007942    0.0007574
 H   -1.0943393   17.4351462    7.5409791  0.00   -0.0006581    0.0010870    0.0008061
 C    1.4370276   14.3328245    7.2956924  0.00   -0.0001814    0.0011289   -0.0018755
 H    1.5439169   14.2884991    6.2085102  0.00    0.0010764   -0.0009642    0.0015080
 H    1.4171459   13.3036798    7.6664958  0.00   -0.0007905    0.0009010    0.0007475
 H    2.3366220   14.8016531    7.7018690  0.00   -0.0006028    0.0014940    0.0001556
 C   -0.1332414   15.3186518    9.7148614  0.00    0.0003527   -0.0005349   -0.0016784
 H    0.7285725   15.8778812   10.0892485  0.00   -0.0012912   -0.0002872   -0.0005261
 H   -0.0976738   14.3199019   10.1595435  0.00    0.0001082    0.0011657   -0.0017822
 H   -1.0348481   15.8136429   10.0859326  0.00    0.0011098   -0.0002952   -0.0014671
 C   -1.6112546   14.2170437    7.2860762  0.00    0.0005842    0.0006919   -0.0014063
 H   -2.5456709   14.6144006    7.6899081  0.00    0.0006746    0.0016673   -0.0000040
 H   -1.5148421   13.1907765    7.6529341  0.00    0.0012261    0.0018955    0.0006606
 H   -1.7096797   14.1694634    6.1982534  0.00   -0.0016219   -0.0015133    0.0009318
129
 Energy =   -2867.2895754760
 O   -0.1333347   15.5575143    3.8314816  0.00    0.0021855   -0.0020108   -0.0019217
Th   -0.2007226   17.7641174    4.8657705  0.00   -0.0011562   -0.0008798    0.0016829
Si   -0.1248331   15.2216027    7.8438705  0.00   -0.0004414   -0.0020533   -0.0026581
 N   -2.1736984   16.9579604    4.1901448  0.00    0.0036362    0.0003192    0.0007738
 N    1.8203775   17.0610699    4.2256061  0.00   -0.0022257    0.0043810    0.0003120
 C   -2.5901342   13.1438623    2.5954029  0.00    0.0055868   -0.0014876    0.0011423
 H   -2.6507268   12.1464857    2.1847486  0.00    0.0011619   -0.0024944   -0.0007665
 C   -3.7581144   13.8697031    2.7839890  0.00   -0.0026918    0.0008700   -0.0019037
 C   -3.6680302   15.1620730    3.3163099  0.00    0.0017200   -0.0020060    0.0001221
 H   -4.5580491   15.7635300    3.4572767  0.00    0.0013376    0.0007156    0.0011696
 C   -2.4385658   15.7010079    3.6563606  0.00    0.0050400   -0.0004206    0.0012443
 C    2.1603369   15.8321155    3.6722394  0.00   -0.0010550   -0.0014106    0.0005452
 C    3.4201180   15.3723518    3.3280270  0.00   -0.0022045    0.0002594    0.0007298
 H    4.2728161   16.0233520    3.4796022  0.00   -0.0019853    0.0002562    0.0011009
 C    3.5879750   14.0903785    2.7895037  0.00   -0.0046128    0.0006951   -0.0005142
 C    2.4655023   13.2963920    2.5967261  0.00    0.0026829   -0.0020186   -0.0005599
 H    2.5871599   12.3060725    2.1823833  0.00   -0.0024567   -0.0026472   -0.0000472
 C   -0.0512948   12.8421939    2.7037064  0.00   -0.0006507   -0.0008568    0.0004668
 C   -1.3246604   13.6492915    2.9167207  0.00   -0.0025967   -0.0037901   -0.0010896
 C   -1.3063634   14.9119341    3.4497274  0.00   -0.0009516   -0.0012385    0.0002317
 C    1.0767797   14.9808006    3.4546281  0.00   -0.0034095   -0.0039131    0.0000696
 C    1.1714167   13.7234123    2.9175853  0.00   -0.0015881   -0.0003689    0.0014736
 C   -0.0167520   11.6818561    3.7120134  0.00    0.0002116    0.0018917   -0.0004045
 H   -0.0283505   12.0500364    4.7397490  0.00    0.0000215    0.0010317   -0.0017742
 H    0.8868007   11.0845261    3.5727218  0.00   -0.0030760   -0.0013089    0.0029162
 H   -0.8824565   11.0310306    3.5719475  0.00    0.0032650   -0.0010221    0.0030528
 C   -0.0339676   12.2742213    1.2788653  0.00    0.0000429   -0.0001056   -0.0008618
 H   -0.8921690   11.6228631    1.1115329  0.00    0.0012341   -0.0019252   -0.0035620
 H    0.8621617   11.6759859    1.1119721  0.00   -0.0014256   -0.0020470   -0.0032819
 H   -0.0578958   13.0718125    0.5342571  0.00   -0.0002615    0.0021063    0.0027680
 C   -5.1301504   13.3047121    2.4184985  0.00    0.0014465    0.0014428    0.0018537
 C   -6.0219322   13.2829368    3.6651797  0.00   -0.0020091   -0.0000422    0.0002274
 H   -5.5793290   12.6715944    4.4551472  0.00    0.0010399   -0.0001354   -0.0000259
 H   -7.0004152   12.8627444    3.4195887  0.00    0.0004959    0.0018576   -0.0013628
 H   -6.1864558   14.2855708    4.0649598  0.00   -0.0007948    0.0015706    0.0025369
 C   -5.7758849   14.1936717    1.3488617  0.00   -0.0011166   -0.0007798    0.0004503
 H   -5.9152614   15.2180313    1.7008657  0.00   -0.0005320    0.0022638   -0.0002236
 H   -6.7591303   13.8007722    1.0780840  0.00    0.0008314    0.0011170    0.0009098
 H   -5.1642738   14.2269935    0.4439717  0.00    0.0011346   -0.0009638   -0.0001293
 C   -5.0441192   11.8827612    1.8699707  0.00   -0.0015402    0.0001779   -0.0001580
 H   -4.4522981   11.8329205    0.9526060  0.00   -0.0011922    0.0005375    0.0000726
 H   -6.0478597   11.5262438    1.6301939  0.00   -0.0009813    0.0002975   -0.0008359
 H   -4.6163359   11.1890028    2.5980853  0.00   -0.0011884    0.0012225    0.0000374
 C    4.9925546   13.6074195    2.4320127  0.00    0.0032041    0.0002891    0.0005047
 C    5.6045445   14.5473191    1.3865545  0.00    0.0011588   -0.0005120    0.0001586
 H    6.6086735   14.2080700    1.1200436  0.00   -0.0008667    0.0017430    0.0008516
 H    5.6911221   15.5701864    1.7592678  0.00    0.0004274    0.0020342   -0.0004176
 H    5.0020076   14.5680710    0.4751552  0.00   -0.0011436   -0.0012227    0.0005975
 C    5.8675252   13.6126688    3.6910902  0.00    0.0018263    0.0000116    0.0003990
 H    5.4503071   12.9618635    4.4631361  0.00   -0.0015262   -0.0004241   -0.0008018
 H    5.9676668   14.6152268    4.1120112  0.00    0.0006038    0.0016605    0.0025586
 H    6.8718417   13.2540842    3.4520361  0.00   -0.0004780    0.0019610   -0.0010626
 C    4.9913252   12.1927434    1.8586612  0.00    0.0020034    0.0003147   -0.0002278
 H    4.5983667   11.4630113    2.5709666  0.00    0.0009384    0.0010329    0.0003206
 H    6.0156018   11.8981239    1.6216879  0.00    0.0004402   -0.0006687   -0.0007200
 H    4.4100357   12.1258548    0.9356629  0.00    0.0009296    0.0004637   -0.0001941
 C   -3.1519540   17.9902986    4.2662273  0.00    0.0035124    0.0004438   -0.0019494
 C   -3.9223467   18.1679139    5.4391730  0.00   -0.0005114   -0.0011230    0.0039976
 C   -4.8271934   19.2238790    5.4884220  0.00   -0.0023380    0.0018375   -0.0005762
 H   -5.4270668   19.3653204    6.3796241  0.00   -0.0011571   -0.0014187   -0.0007879
 C   -4.9843485   20.0878871    4.4230904  0.00   -0.0011841    0.0010269   -0.0011583
 H   -5.7002653   20.8994887    4.4809420  0.00    0.0008373    0.0010803    0.0017697
 C   -4.2265305   19.9145731    3.2793903  0.00    0.0009096   -0.0008468    0.0011804
 H   -4.3617531   20.5971443    2.4503778  0.00   -0.0003968    0.0026418   -0.0019532
 C   -3.3054691   18.8789256    3.1705054  0.00   -0.0019077    0.0015861   -0.0000392
 C   -2.5566423   18.6988276    1.8652947  0.00   -0.0022020    0.0019787   -0.0037594
 H   -1.6295100   18.1472869    2.0760823  0.00    0.0004044   -0.0006244   -0.0017449
 C   -3.3655100   17.8456849    0.8845427  0.00    0.0015142    0.0012427    0.0000687
 H   -3.5964459   16.8623928    1.2933103  0.00   -0.0002662    0.0001271   -0.0014075
 H   -2.8092645   17.7062421   -0.0454133  0.00    0.0002100    0.0009306   -0.0006425
 H   -4.3070503   18.3454565    0.6409165  0.00    0.0025568   -0.0016320    0.0027049
 C   -2.1828540   20.0211718    1.2030285  0.00    0.0010360   -0.0010799    0.0003160
 H   -3.0643176   20.5378967    0.8185558  0.00    0.0012880    0.0009535   -0.0011863
 H   -1.5291941   19.8383840    0.3490924  0.00    0.0031434    0.0012760   -0.0009015
 H   -1.6714128   20.7032668    1.8864822  0.00    0.0003209   -0.0025928   -0.0008918
 C   -3.8421423   17.2299333    6.6224973  0.00   -0.0042382    0.0042307    0.0007639
 H   -2.9684315   16.5904036    6.4823093  0.00    0.0002737    0.0004415    0.0001404
 C   -5.0690400   16.3189089    6.6838006  0.00    0.0009926   -0.0009783    0.0010094
 H   -5.9852200   16.9046074    6.7946628  0.00    0.0000669   -0.0003519   -0.0004898
 H   -4.9975386   15.6459580    7.5415813  0.00   -0.0023875   -0.0009780    0.0007873
 H   -5.1615302   15.7063719    5.7866601  0.00   -0.0006039   -0.0004048   -0.0014020
 C   -3.6887493   17.9796191    7.9452367  0.00   -0.0013537   -0.0021404    0.0015627
 H   -2.8839197   18.7191213    7.9177950  0.00   -0.0005321   -0.0064004   -0.0025871
 H   -3.4763004   17.2769632    8.7541506  0.00   -0.0009626   -0.0001905    0.0033822
 H   -4.6049198   18.5098494    8.2140994  0.00   -0.0012239   -0.0004274    0.0031584
 C    2.7179925   18.1641244    4.2795680  0.00   -0.0048446   -0.0046169    0.0051947
 C    2.8359464   19.0126011    3.1504588  0.00   -0.0028722   -0.0009174   -0.0025554
 C    3.6593906   20.1286905    3.2396134  0.00    0.0039431    0.0074872   -0.0023984
 H    3.7680841   20.7795525    2.3803877  0.00    0.0001084    0.0018698    0.0013954
 C    4.3522486   20.4203247    4.4001832  0.00    0.0002501   -0.0004821   -0.0000291
 H    4.9896082   21.2956757    4.4464830  0.00   -0.0007875    0.0011919    0.0005678
 C    4.2372032   19.5880591    5.4970473  0.00   -0.0016743   -0.0043191   -0.0015332
 H    4.7938575   19.8175251    6.3978220  0.00    0.0018914   -0.0001912   -0.0012554
 C    3.4366006   18.4500352    5.4645179  0.00    0.0052826    0.0065202   -0.0005708
 C    3.4267962   17.5316252    6.6658687  0.00   -0.0000837    0.0004809    0.0007857
 H    2.6036062   16.8256859    6.5380945  0.00    0.0022858    0.0016654    0.0000395
 C    4.7190014   16.7150481    6.7298639  0.00   -0.0013338   -0.0021389   -0.0008031
 H    4.8543364   16.1055046    5.8357729  0.00    0.0008125   -0.0006200   -0.0005446
 H    4.7010680   16.0442685    7.5922111  0.00    0.0012153    0.0008161   -0.0000616
 H    5.5887011   17.3689875    6.8328220  0.00    0.0008495    0.0005382   -0.0008458
 C    3.2224792   18.2826126    7.9798762  0.00   -0.0006491   -0.0010563    0.0020887
 H    4.0923052   18.8915942    8.2349737  0.00    0.0022438    0.0012831    0.0035234
 H    3.0774046   17.5744658    8.7988711  0.00    0.0000052    0.0003427    0.0019182
 H    2.3566292   18.9497678    7.9519341  0.00    0.0012033   -0.0044409   -0.0029940
 C    2.1514201   18.7137114    1.8333519  0.00    0.0028505    0.0017464    0.0019487
 H    1.3840096   17.9516295    2.0143396  0.00   -0.0013149   -0.0005300   -0.0029277
 C    1.4729900   19.9420662    1.2351569  0.00   -0.0009980   -0.0008218   -0.0006067
 H    0.7880903   20.4229950    1.9386463  0.00   -0.0001883   -0.0036481   -0.0032093
 H    0.9066045   19.6617564    0.3453451  0.00   -0.0033644    0.0012575   -0.0007921
 H    2.2020398   20.6933159    0.9256446  0.00   -0.0006200    0.0009939   -0.0006198
 C    3.1413778   18.1207234    0.8287485  0.00   -0.0026680    0.0000592    0.0003937
 H    3.9389982   18.8357804    0.6104447  0.00   -0.0010557   -0.0036104    0.0016479
 H    2.6344598   17.8863733   -0.1102633  0.00    0.0007891   -0.0004886   -0.0006665
 H    3.5964181   17.2044755    1.2059449  0.00    0.0016727    0.0020895   -0.0020020
 C   -0.1914353   16.9637904    7.1162936  0.00    0.0003803    0.0007848    0.0054915
 H    0.6619308   17.5093990    7.5557891  0.00    0.0006993    0.0025670   -0.0001311
 H   -1.0945138   17.4348115    7.5415311  0.00   -0.0012838    0.0031207   -0.0001989
 C    1.4368201   14.3339910    7.2998456  0.00    0.0010178    0.0006667   -0.0006580
 H    1.5428256   14.2887438    6.2126852  0.00    0.0016498   -0.0012413    0.0001236
 H    1.4180526   13.3052049    7.6716587  0.00   -0.0017136    0.0008907    0.0007621
 H    2.3364700   14.8036614    7.7048522  0.00   -0.0000089    0.0019504    0.0001546
 C   -0.1337578   15.3234953    9.7178697  0.00    0.0007173   -0.0030480   -0.0040398
 H    0.7282040   15.8830673   10.0913958  0.00   -0.0020445   -0.0005199    0.0004266
 H   -0.0981903   14.3247982   10.1628707  0.00    0.0000908    0.0031441   -0.0004080
 H   -1.0356587   15.8187015   10.0879324  0.00    0.0018610   -0.0004110   -0.0007710
 C   -1.6107857   14.2176630    7.2901090  0.00   -0.0001987   -0.0005200   -0.0000558
 H   -2.5456328   14.6150689    7.6928311  0.00    0.0002365    0.0023563    0.0001086
 H   -1.5146559   13.1917195    7.6580076  0.00    0.0018280    0.0022343    0.0003807
 H   -1.7082970   14.1691100    6.2023145  0.00   -0.0020914   -0.0018200   -0.0005648
129
 Energy =   -2867.2895789290
 O   -0.1333352   15.5574122    3.8313179  0.00    0.0027802   -0.0012787   -0.0007156
Th   -0.2007500   17.7642425    4.8657582  0.00   -0.0008495   -0.0017991    0.0029145
Si   -0.1248382   15.2215594    7.8437030  0.00   -0.0001322   -0.0002661   -0.0019924
 N   -2.1735186   16.9579538    4.1900916  0.00   -0.0001785    0.0012763   -0.0000463
 N    1.8202146   17.0610906    4.2255362  0.00   -0.0003178    0.0051732    0.0015877
 C   -2.5901344   13.1437153    2.5953264  0.00    0.0067474   -0.0003654    0.0009086
 H   -2.6506903   12.1464219    2.1845444  0.00    0.0011716   -0.0029833   -0.0007062
 C   -3.7580236   13.8695837    2.7837771  0.00   -0.0054231    0.0026482    0.0008114
 C   -3.6679725   15.1620341    3.3163122  0.00    0.0010257   -0.0036839   -0.0014726
 H   -4.5580564   15.7635037    3.4573317  0.00    0.0021276    0.0000899    0.0009315
 C   -2.4385148   15.7009717    3.6562832  0.00    0.0070998   -0.0013805    0.0016161
 C    2.1602151   15.8321311    3.6722495  0.00    0.0003960   -0.0028506   -0.0005606
 C    3.4199996   15.3723906    3.3280230  0.00   -0.0011737   -0.0035664   -0.0008187
 H    4.2728131   16.0232625    3.4796484  0.00   -0.0024151    0.0003330    0.0010168
 C    3.5879529   14.0902414    2.7893315  0.00   -0.0041974    0.0033443    0.0017240
 C    2.4654944   13.2962133    2.5966170  0.00    0.0003242    0.0005761    0.0007210
 H    2.5870751   12.3059444    2.1822299  0.00   -0.0023351   -0.0032811   -0.0001950
 C   -0.0512903   12.8421344    2.7038070  0.00   -0.0022145   -0.0009671   -0.0005255
 C   -1.3246610   13.6492224    2.9167316  0.00   -0.0019241   -0.0064786   -0.0020533
 C   -1.3062199   14.9117727    3.4496599  0.00   -0.0055547    0.0026095    0.0011247
 C    1.0767375   14.9806514    3.4545726  0.00   -0.0034677   -0.0003821    0.0016573
 C    1.1712769   13.7233398    2.9176507  0.00    0.0036843   -0.0031302   -0.0009170
 C   -0.0167621   11.6818899    3.7119670  0.00    0.0008469    0.0012441    0.0006670
 H   -0.0283350   12.0500439    4.7396375  0.00   -0.0000267    0.0011629   -0.0006204
 H    0.8866069   11.0844199    3.5727045  0.00   -0.0014738   -0.0014210    0.0027397
 H   -0.8822282   11.0309461    3.5719352  0.00    0.0011231   -0.0015993    0.0028010
 C   -0.0339924   12.2741887    1.2790157  0.00    0.0007250   -0.0002139   -0.0016232
 H   -0.8920292   11.6227075    1.1115196  0.00    0.0002602   -0.0015600   -0.0033313
 H    0.8620221   11.6758110    1.1119872  0.00   -0.0009532   -0.0013563   -0.0031198
 H   -0.0579168   13.0720156    0.5346809  0.00   -0.0002351    0.0015736    0.0018884
 C   -5.1302344   13.3045772    2.4184837  0.00    0.0013144    0.0025264    0.0012588
 C   -6.0220897   13.2828866    3.6652275  0.00    0.0006771    0.0011195    0.0007815
 H   -5.5793026   12.6715464    4.4551800  0.00    0.0001515    0.0003340   -0.0005744
 H   -7.0005507   12.8627841    3.4196474  0.00   -0.0001934    0.0014132   -0.0014632
 H   -6.1864825   14.2856268    4.0650581  0.00   -0.0006793    0.0001715    0.0018504
 C   -5.7759383   14.1936335    1.3488225  0.00    0.0007884    0.0004584    0.0004255
 H   -5.9152136   15.2180925    1.7008741  0.00   -0.0003725    0.0008205   -0.0007120
 H   -6.7591502   13.8008734    1.0779401  0.00    0.0000540    0.0006943    0.0008144
 H   -5.1641486   14.2268770    0.4439513  0.00    0.0002008   -0.0007477    0.0008316
 C   -5.0442628   11.8826364    1.8698811  0.00   -0.0009134    0.0000450   -0.0003276
 H   -4.4523998   11.8328615    0.9524956  0.00   -0.0013903    0.0005580    0.0006547
 H   -6.0479446   11.5259997    1.6299640  0.00   -0.0009087    0.0006835   -0.0004775
 H   -4.6164353   11.1888934    2.5980110  0.00   -0.0013635    0.0012700   -0.0002642
 C    4.9927519   13.6073001    2.4319775  0.00    0.0016588    0.0010076    0.0003109
 C    5.6046166   14.5472705    1.3864724  0.00   -0.0005029    0.0012528    0.0011991
 H    6.6086961   14.2082171    1.1198874  0.00    0.0004092    0.0011472    0.0004946
 H    5.6910768   15.5702350    1.7592611  0.00    0.0003154    0.0004606   -0.0010723
 H    5.0018824   14.5679248    0.4751655  0.00   -0.0006208   -0.0009969    0.0008300
 C    5.8676847   13.6125986    3.6911557  0.00   -0.0002814    0.0019194    0.0004717
 H    5.4502432   12.9617893    4.4631077  0.00   -0.0008442   -0.0002236   -0.0008224
 H    5.9676898   14.6152810    4.1121116  0.00    0.0005324   -0.0000853    0.0018252
 H    6.8719740   13.2541244    3.4521209  0.00    0.0004098    0.0014598   -0.0010746
 C    4.9914871   12.1926180    1.8585742  0.00    0.0016950    0.0003503   -0.0003214
 H    4.5984768   11.4629458    2.5709207  0.00    0.0009639    0.0009501    0.0001517
 H    6.0156864   11.8977944    1.6214667  0.00    0.0004571   -0.0002244   -0.0004149
 H    4.4101425   12.1258015    0.9355719  0.00    0.0010247    0.0004792    0.0002509
 C   -3.1519141   17.9903977    4.2661469  0.00    0.0013860   -0.0015886    0.0023632
 C   -3.9224601   18.1680137    5.4393052  0.00    0.0012581    0.0001740   -0.0011243
 C   -4.8272204   19.2241205    5.4884587  0.00   -0.0016933   -0.0000425    0.0003682
 H   -5.4270026   19.3655049    6.3797085  0.00   -0.0015162   -0.0012017   -0.0006545
 C   -4.9843484   20.0881650    4.4231839  0.00    0.0006248    0.0005066   -0.0010702
 H   -5.7002525   20.8996965    4.4810861  0.00    0.0005826    0.0020454    0.0017088
 C   -4.2263788   19.9148419    3.2795730  0.00   -0.0013164    0.0027703   -0.0018708
 H   -4.3614615   20.5976838    2.4504946  0.00    0.0000767    0.0003810    0.0006809
 C   -3.3055603   18.8790888    3.1705090  0.00    0.0013660    0.0010121   -0.0018961
 C   -2.5567227   18.6990462    1.8650835  0.00   -0.0008104    0.0000521   -0.0000424
 H   -1.6295615   18.1475303    2.0759476  0.00    0.0004748   -0.0002618   -0.0014053
 C   -3.3652770   17.8456211    0.8845319  0.00    0.0016905   -0.0003847   -0.0003102
 H   -3.5961719   16.8623121    1.2933564  0.00    0.0004158    0.0004008   -0.0012962
 H   -2.8090653   17.7061945   -0.0454709  0.00    0.0000548    0.0010113   -0.0003168
 H   -4.3068255   18.3451062    0.6410557  0.00    0.0001807   -0.0005077    0.0015396
 C   -2.1828045   20.0212010    1.2028480  0.00    0.0020655    0.0004919    0.0002737
 H   -3.0640877   20.5380409    0.8182838  0.00    0.0003089    0.0012225   -0.0016119
 H   -1.5289160   19.8384930    0.3490555  0.00    0.0026857    0.0009313   -0.0009385
 H   -1.6713482   20.7032282    1.8863776  0.00    0.0000136   -0.0023894   -0.0010038
 C   -3.8423701   17.2300478    6.6225422  0.00   -0.0032332    0.0017180    0.0024645
 H   -2.9686224   16.5905886    6.4823447  0.00    0.0005174    0.0002024   -0.0000066
 C   -5.0690938   16.3188043    6.6838076  0.00    0.0007314   -0.0018452   -0.0007677
 H   -5.9852637   16.9044336    6.7945500  0.00   -0.0008782    0.0000936   -0.0002697
 H   -4.9977384   15.6457968    7.5416228  0.00   -0.0020208   -0.0005143   -0.0001533
 H   -5.1614644   15.7063934    5.7864405  0.00   -0.0005797    0.0001906    0.0002681
 C   -3.6888640   17.9794081    7.9454724  0.00   -0.0013944   -0.0026832    0.0004022
 H   -2.8838430   18.7185507    7.9176521  0.00   -0.0000323   -0.0047213   -0.0015437
 H   -3.4762881   17.2767451    8.7543699  0.00   -0.0012313   -0.0004349    0.0027150
 H   -4.6049174   18.5097018    8.2145079  0.00   -0.0014075    0.0000261    0.0031246
 C    2.7179154   18.1641879    4.2796942  0.00   -0.0026772   -0.0039128    0.0025396
 C    2.8358674   19.0126125    3.1504259  0.00    0.0011059    0.0047905    0.0016014
 C    3.6593530   20.1291086    3.2396875  0.00   -0.0005170    0.0011162   -0.0035719
 H    3.7678004   20.7800529    2.3805098  0.00    0.0002438    0.0019735    0.0011114
 C    4.3522068   20.4205907    4.4001990  0.00   -0.0005841   -0.0010197    0.0008606
 H    4.9895619   21.2959284    4.4464933  0.00   -0.0008785    0.0014385    0.0010163
 C    4.2371366   19.5881169    5.4969940  0.00    0.0029561    0.0014855   -0.0002266
 H    4.7938212   19.8178018    6.3977600  0.00    0.0013710   -0.0007743   -0.0018833
 C    3.4368412   18.4502340    5.4646226  0.00   -0.0009178    0.0016607   -0.0033641
 C    3.4269813   17.5318226    6.6658530  0.00   -0.0004675   -0.0016647    0.0034975
 H    2.6038011   16.8259555    6.5381226  0.00    0.0014104    0.0011461   -0.0005477
 C    4.7189612   16.7149305    6.7298221  0.00    0.0016735    0.0016085   -0.0014728
 H    4.8542679   16.1055545    5.8356468  0.00    0.0007560   -0.0011855   -0.0006664
 H    4.7011977   16.0443000    7.5921937  0.00    0.0007440   -0.0001901    0.0005367
 H    5.5887985   17.3689120    6.8327010  0.00   -0.0006110   -0.0007539   -0.0009539
 C    3.2224401   18.2824339    7.9801225  0.00    0.0043566    0.0012019   -0.0006453
 H    4.0923179   18.8915892    8.2353910  0.00   -0.0002123   -0.0001406    0.0028443
 H    3.0773602   17.5743437    8.7989978  0.00   -0.0002116   -0.0013093    0.0029842
 H    2.3565941   18.9493115    7.9518277  0.00   -0.0005472   -0.0025022   -0.0021492
 C    2.1515207   18.7138528    1.8333645  0.00   -0.0018664   -0.0011996   -0.0003083
 H    1.3839247   17.9517688    2.0141440  0.00   -0.0004549    0.0005185   -0.0022774
 C    1.4729540   19.9420429    1.2349505  0.00   -0.0000334    0.0002518    0.0001376
 H    0.7880441   20.4228704    1.9384068  0.00   -0.0005984   -0.0027989   -0.0023914
 H    0.9063361   19.6618083    0.3453044  0.00   -0.0029151    0.0003998   -0.0014220
 H    2.2018652   20.6934368    0.9253870  0.00   -0.0005980    0.0005702   -0.0007273
 C    3.1411278   18.1205318    0.8287272  0.00    0.0002795    0.0007554    0.0008602
 H    3.9389536   18.8353428    0.6105399  0.00   -0.0006829   -0.0028236    0.0009358
 H    2.6343893   17.8861786   -0.1103332  0.00   -0.0000111   -0.0004673   -0.0008557
 H    3.5963236   17.2044073    1.2059282  0.00    0.0010827    0.0010806   -0.0014478
 C   -0.1914597   16.9640708    7.1166973  0.00   -0.0002216    0.0003991    0.0030349
 H    0.6618754   17.5095955    7.5562313  0.00    0.0011512    0.0026569    0.0000566
 H   -1.0945415   17.4351001    7.5419318  0.00   -0.0011070    0.0027281   -0.0002337
 C    1.4368678   14.3340681    7.2997898  0.00    0.0009821   -0.0004152    0.0020615
 H    1.5430903   14.2885446    6.2128115  0.00    0.0017204   -0.0011609   -0.0022197
 H    1.4178956   13.3053269    7.6718628  0.00   -0.0013913    0.0015638    0.0003813
 H    2.3364562   14.8037354    7.7049614  0.00   -0.0002058    0.0019078   -0.0000561
 C   -0.1337252   15.3234131    9.7176711  0.00    0.0001680   -0.0010532   -0.0034243
 H    0.7280640   15.8831020   10.0912912  0.00   -0.0011512   -0.0001344    0.0001616
 H   -0.0981922   14.3250765   10.1631513  0.00    0.0001723    0.0007236   -0.0002666
 H   -1.0355357   15.8187443   10.0877290  0.00    0.0012829   -0.0002806   -0.0009880
 C   -1.6107845   14.2176747    7.2900702  0.00   -0.0009164   -0.0001938    0.0012839
 H   -2.5455650   14.6151733    7.6929385  0.00    0.0006318    0.0020761   -0.0001429
 H   -1.5145242   13.1918534    7.6581748  0.00    0.0016372    0.0016531    0.0005031
 H   -1.7085605   14.1688626    6.2023991  0.00   -0.0019475   -0.0016970   -0.0019807
129
 Energy =   -2867.2895906900
 O   -0.1332709   15.5557875    3.8306141  0.00   -0.0003659   -0.0012960    0.0014059
Th   -0.2006950   17.7628250    4.8655120  0.00   -0.0019033   -0.0016269    0.0039392
Si   -0.1250120   15.2232457    7.8467465  0.00    0.0002869    0.0017586   -0.0018732
 N   -2.1732168   16.9566546    4.1888727  0.00   -0.0006422    0.0000613   -0.0015203
 N    1.8199687   17.0595023    4.2252639  0.00    0.0019376   -0.0000453   -0.0012238
 C   -2.5897030   13.1420158    2.5947034  0.00   -0.0039579   -0.0038347   -0.0022560
 H   -2.6502679   12.1447746    2.1834092  0.00    0.0015255   -0.0011119    0.0007693
 C   -3.7579558   13.8679322    2.7825271  0.00   -0.0017840    0.0006233    0.0029907
 C   -3.6677349   15.1601567    3.3153362  0.00   -0.0019100    0.0037820    0.0002986
 H   -4.5578491   15.7622103    3.4560867  0.00    0.0062495   -0.0035333    0.0000567
 C   -2.4382337   15.6994203    3.6553871  0.00    0.0015111   -0.0012421    0.0019593
 C    2.1599803   15.8302856    3.6716296  0.00    0.0007671    0.0028387    0.0015486
 C    3.4196002   15.3704430    3.3271142  0.00    0.0011319   -0.0018209    0.0006310
 H    4.2725120   16.0212710    3.4788825  0.00   -0.0032160   -0.0003499    0.0005924
 C    3.5875331   14.0884364    2.7882079  0.00   -0.0003529   -0.0003678    0.0014331
 C    2.4649948   13.2942902    2.5958668  0.00    0.0047907   -0.0009390   -0.0005763
 H    2.5863554   12.3040179    2.1810097  0.00   -0.0023084   -0.0008048    0.0014312
 C   -0.0515462   12.8401641    2.7038474  0.00    0.0012269   -0.0004258   -0.0015201
 C   -1.3246411   13.6472889    2.9165043  0.00   -0.0001509   -0.0008664    0.0001030
 C   -1.3061021   14.9100719    3.4492094  0.00   -0.0049964    0.0016670    0.0006447
 C    1.0764704   14.9788296    3.4541576  0.00   -0.0000266   -0.0004409    0.0012476
 C    1.1710304   13.7214012    2.9174865  0.00    0.0021493   -0.0022693   -0.0014277
 C   -0.0169628   11.6801956    3.7116809  0.00    0.0003961   -0.0008002    0.0014595
 H   -0.0285947   12.0486336    4.7390289  0.00   -0.0001053    0.0007082    0.0031466
 H    0.8861392   11.0825140    3.5724457  0.00    0.0006675   -0.0015495    0.0028265
 H   -0.8822194   11.0291889    3.5714624  0.00   -0.0009236   -0.0022202    0.0034086
 C   -0.0342184   12.2723474    1.2792944  0.00    0.0004547   -0.0014574   -0.0040298
 H   -0.8921696   11.6208188    1.1113971  0.00   -0.0001225   -0.0006069   -0.0030814
 H    0.8616121   11.6737753    1.1118432  0.00   -0.0006136   -0.0001393   -0.0028460
 H   -0.0582021   13.0708707    0.5358831  0.00   -0.0000446    0.0012456   -0.0015607
 C   -5.1302598   13.3031195    2.4169815  0.00   -0.0006493    0.0032157    0.0005683
 C   -6.0228119   13.2819719    3.6634335  0.00    0.0018727    0.0009320    0.0005376
 H   -5.5803205   12.6714319    4.4541802  0.00   -0.0001821   -0.0000976   -0.0009774
 H   -7.0012107   12.8617332    3.4176665  0.00    0.0008742    0.0011341   -0.0015395
 H   -6.1876491   14.2850557    4.0624393  0.00    0.0000639   -0.0010088    0.0012106
 C   -5.7756067   14.1930343    1.3477581  0.00    0.0012900    0.0013053   -0.0006567
 H   -5.9153196   15.2170958    1.7010577  0.00    0.0001182   -0.0003297   -0.0016564
 H   -6.7586498   13.8005766    1.0757803  0.00    0.0004276    0.0002096    0.0012152
 H   -5.1632516   14.2275225    0.4432568  0.00   -0.0003129   -0.0008375    0.0013198
 C   -5.0442481   11.8812328    1.8677873  0.00   -0.0014125    0.0017755    0.0004940
 H   -4.4518549   11.8318017    0.9507456  0.00   -0.0008259    0.0009784    0.0004326
 H   -6.0476034   11.5242183    1.6268909  0.00   -0.0009227    0.0021984    0.0006138
 H   -4.6166867   11.1873440    2.5958630  0.00   -0.0011081    0.0006481    0.0002618
 C    4.9928606   13.6056754    2.4305984  0.00   -0.0010558    0.0037605    0.0011060
 C    5.6041129   14.5464650    1.3854683  0.00   -0.0019217    0.0003559    0.0001063
 H    6.6080147   14.2077955    1.1178604  0.00    0.0007143    0.0005765    0.0003607
 H    5.6908979   15.5689639    1.7594262  0.00    0.0000139    0.0009037   -0.0016633
 H    5.0006086   14.5680739    0.4746433  0.00    0.0002173   -0.0008406    0.0010774
 C    5.8682864   13.6119129    3.6895757  0.00   -0.0024739    0.0003786   -0.0002538
 H    5.4509868   12.9619031    4.4623232  0.00   -0.0000557   -0.0001089   -0.0012409
 H    5.9685745   14.6150485    4.1094418  0.00   -0.0000325   -0.0005370    0.0019211
 H    6.8725185   13.2533573    3.4504610  0.00    0.0002184    0.0008727   -0.0010924
 C    4.9915971   12.1910123    1.8568526  0.00    0.0000838    0.0016671    0.0006275
 H    4.5987490   11.4613432    2.5692735  0.00    0.0008980    0.0007035    0.0002402
 H    6.0154101   11.8956556    1.6188964  0.00    0.0015582    0.0011277    0.0003497
 H    4.4096830   12.1243955    0.9341674  0.00    0.0009277    0.0008072    0.0006043
 C   -3.1500092   17.9904336    4.2661093  0.00   -0.0014244    0.0081034    0.0016008
 C   -3.9202090   18.1685607    5.4397798  0.00    0.0028654   -0.0039802   -0.0024754
 C   -4.8215494   19.2274768    5.4909801  0.00   -0.0010399   -0.0011249   -0.0010049
 H   -5.4209002   19.3683302    6.3824478  0.00   -0.0030989   -0.0000079    0.0005251
 C   -4.9756089   20.0946684    4.4278789  0.00   -0.0009082    0.0003086   -0.0001823
 H   -5.6893200   20.9080831    4.4876699  0.00    0.0020028    0.0018221    0.0012322
 C   -4.2176835   19.9218880    3.2841364  0.00   -0.0012109    0.0025537   -0.0026998
 H   -4.3497994   20.6078548    2.4570714  0.00   -0.0001202   -0.0012195    0.0014835
 C   -3.3006523   18.8830307    3.1724311  0.00    0.0037952   -0.0061209    0.0016858
 C   -2.5526740   18.7030809    1.8661566  0.00    0.0000941   -0.0004814    0.0027250
 H   -1.6227124   18.1559600    2.0766542  0.00    0.0008895   -0.0004139    0.0002553
 C   -3.3586320   17.8433843    0.8891104  0.00    0.0020448   -0.0016065   -0.0005416
 H   -3.5847304   16.8600218    1.3005113  0.00    0.0011655    0.0012204   -0.0013132
 H   -2.8031225   17.7041810   -0.0413327  0.00   -0.0000873    0.0012093   -0.0007065
 H   -4.3026550   18.3379618    0.6460886  0.00   -0.0024400    0.0011501   -0.0000601
 C   -2.1849683   20.0248912    1.1998203  0.00    0.0016220   -0.0014756   -0.0024773
 H   -3.0688339   20.5364313    0.8140137  0.00    0.0006350    0.0016798   -0.0013361
 H   -1.5308734   19.8425864    0.3459730  0.00    0.0020785    0.0004315    0.0005939
 H   -1.6760415   20.7111217    1.8808364  0.00    0.0008602   -0.0013765    0.0003268
 C   -3.8437609   17.2279859    6.6214642  0.00   -0.0003745   -0.0025365   -0.0005669
 H   -2.9703998   16.5877358    6.4815363  0.00   -0.0008481    0.0009218    0.0000086
 C   -5.0716596   16.3180746    6.6786316  0.00   -0.0016152   -0.0009724   -0.0008382
 H   -5.9871265   16.9047801    6.7902461  0.00   -0.0002798   -0.0001520   -0.0012197
 H   -5.0026460   15.6426402    7.5348572  0.00   -0.0007195   -0.0000556   -0.0023803
 H   -5.1640134   15.7087407    5.7791456  0.00   -0.0006138   -0.0005103    0.0020167
 C   -3.6918001   17.9739484    7.9462534  0.00   -0.0023604   -0.0016125    0.0005373
 H   -2.8863966   18.7125338    7.9199789  0.00    0.0004621   -0.0027897    0.0016617
 H   -3.4808193   17.2697770    8.7543611  0.00   -0.0002605   -0.0002607    0.0002943
 H   -4.6081524   18.5038356    8.2151504  0.00   -0.0003627    0.0012609    0.0031932
 C    2.7159825   18.1639041    4.2797692  0.00   -0.0049032    0.0013806   -0.0036133
 C    2.8309044   19.0145834    3.1513100  0.00    0.0017682    0.0032714    0.0005549
 C    3.6510159   20.1337346    3.2414619  0.00   -0.0005678   -0.0019038    0.0029195
 H    3.7571165   20.7865087    2.3834740  0.00   -0.0001262    0.0011882   -0.0000905
 C    4.3433983   20.4257923    4.4023370  0.00   -0.0016043   -0.0007732   -0.0049096
 H    4.9783071   21.3029335    4.4494765  0.00   -0.0017565    0.0006826    0.0013037
 C    4.2310212   19.5916101    5.4979371  0.00    0.0024743    0.0007524   -0.0001179
 H    4.7868323   19.8221464    6.3988139  0.00    0.0031142   -0.0006259    0.0004464
 C    3.4343020   18.4512826    5.4646292  0.00    0.0011045   -0.0007563    0.0019416
 C    3.4279371   17.5316667    6.6653068  0.00    0.0039035    0.0001038    0.0014118
 H    2.6056356   16.8249929    6.5384447  0.00   -0.0016480   -0.0014865   -0.0012025
 C    4.7212349   16.7165409    6.7260561  0.00    0.0011392    0.0001116   -0.0005846
 H    4.8567576   16.1096653    5.8301945  0.00    0.0006819   -0.0017652    0.0004460
 H    4.7054183   16.0439620    7.5870974  0.00    0.0001549    0.0004509   -0.0016124
 H    5.5901511   17.3715208    6.8298942  0.00   -0.0000546    0.0003279   -0.0016485
 C    3.2251012   18.2805539    7.9807167  0.00    0.0030106    0.0000459   -0.0005398
 H    4.0950973   18.8897055    8.2353990  0.00   -0.0003146    0.0012790    0.0027084
 H    3.0817245   17.5717470    8.7994467  0.00   -0.0009876   -0.0004730    0.0001833
 H    2.3587639   18.9467110    7.9534028  0.00   -0.0006887   -0.0012352    0.0006313
 C    2.1478605   18.7147477    1.8335779  0.00   -0.0016479   -0.0000913   -0.0010825
 H    1.3774836   17.9553582    2.0141235  0.00   -0.0007026   -0.0004837   -0.0001447
 C    1.4739510   19.9431824    1.2300849  0.00    0.0011536   -0.0013738   -0.0024772
 H    0.7899152   20.4287394    1.9308711  0.00   -0.0021663   -0.0019678   -0.0002972
 H    0.9073045   19.6617809    0.3406406  0.00   -0.0013971    0.0000184    0.0006213
 H    2.2056652   20.6909983    0.9183649  0.00   -0.0010952    0.0002527   -0.0006676
 C    3.1376918   18.1157452    0.8324364  0.00   -0.0012959   -0.0005056   -0.0004575
 H    3.9379296   18.8274890    0.6140548  0.00    0.0011254    0.0004351    0.0000267
 H    2.6321335   17.8802490   -0.1070507  0.00    0.0001589    0.0002057    0.0000554
 H    3.5899248   17.1994688    1.2125795  0.00    0.0003305   -0.0001001   -0.0003079
 C   -0.1916984   16.9647988    7.1178382  0.00   -0.0013610    0.0022592    0.0004466
 H    0.6618382   17.5106265    7.5566734  0.00    0.0005260    0.0027752    0.0000768
 H   -1.0949101   17.4363211    7.5425156  0.00    0.0005965    0.0021870   -0.0007891
 C    1.4366831   14.3354148    7.3039672  0.00    0.0010847    0.0001749   -0.0011327
 H    1.5422766   14.2881825    6.2169131  0.00    0.0020343   -0.0008229   -0.0009961
 H    1.4181158   13.3073236    7.6774571  0.00   -0.0013684   -0.0005034    0.0013924
 H    2.3362535   14.8059397    7.7079649  0.00    0.0009035    0.0022958    0.0003529
 C   -0.1341405   15.3278997    9.7204768  0.00   -0.0002406    0.0014540   -0.0034451
 H    0.7274861   15.8882141   10.0936106  0.00   -0.0012909   -0.0002445   -0.0005186
 H   -0.0986487   14.3304350   10.1673438  0.00    0.0002594   -0.0026823    0.0015602
 H   -1.0360687   15.8237224   10.0896814  0.00    0.0014981   -0.0004486   -0.0013688
 C   -1.6102801   14.2182134    7.2940720  0.00   -0.0019537    0.0008254   -0.0021848
 H   -2.5454100   14.6158673    7.6958176  0.00   -0.0000644    0.0022595    0.0003770
 H   -1.5136404   13.1931171    7.6636113  0.00    0.0015259   -0.0008959    0.0015956
 H   -1.7075220   14.1676253    6.2063263  0.00   -0.0017125   -0.0012537   -0.0003638
129
 Energy =   -2867.2895943270
 O   -0.1332782   15.5555237    3.8305460  0.00   -0.0014581   -0.0011977    0.0020635
Th   -0.2007888   17.7624105    4.8659569  0.00   -0.0013103    0.0005271    0.0015321
Si   -0.1250098   15.2232811    7.8465200  0.00    0.0001903    0.0013974   -0.0018948
 N   -2.1731753   16.9565704    4.1889181  0.00   -0.0015171    0.0010258   -0.0010440
 N    1.8199507   17.0594506    4.2253134  0.00    0.0010329   -0.0004053   -0.0007596
 C   -2.5898705   13.1416899    2.5946485  0.00   -0.0015673   -0.0002371   -0.0003076
 H   -2.6501688   12.1444428    2.1833821  0.00    0.0002993   -0.0012502    0.0005485
 C   -3.7579989   13.8679708    2.7826513  0.00   -0.0008603   -0.0018243    0.0015562
 C   -3.6676187   15.1601468    3.3154041  0.00    0.0010326    0.0020899    0.0004483
 H   -4.5574000   15.7622394    3.4562752  0.00    0.0026929   -0.0018359    0.0001850
 C   -2.4381160   15.6992940    3.6555221  0.00   -0.0009810    0.0000576    0.0010821
 C    2.1599262   15.8302291    3.6717289  0.00   -0.0010969    0.0003986    0.0005857
 C    3.4194894   15.3704058    3.3272232  0.00   -0.0004998   -0.0038540   -0.0000327
 H    4.2721022   16.0213667    3.4790887  0.00   -0.0005365    0.0005822    0.0005938
 C    3.5874996   14.0883961    2.7882444  0.00    0.0013320    0.0001397    0.0015447
 C    2.4652165   13.2940008    2.5958333  0.00    0.0006557    0.0014751    0.0007069
 H    2.5861736   12.3037225    2.1810561  0.00   -0.0007389   -0.0015088    0.0008712
 C   -0.0515060   12.8398657    2.7037257  0.00    0.0008653   -0.0012026   -0.0013639
 C   -1.3247146   13.6469728    2.9164931  0.00   -0.0011622    0.0005096   -0.0001124
 C   -1.3062082   14.9098864    3.4492180  0.00   -0.0021096   -0.0012249    0.0000982
 C    1.0764156   14.9785674    3.4542014  0.00    0.0024055    0.0002912    0.0006714
 C    1.1711624   13.7211100    2.9174640  0.00    0.0014248   -0.0014579   -0.0011514
 C   -0.0169605   11.6799246    3.7116259  0.00    0.0007027   -0.0012601    0.0019991
 H   -0.0285915   12.0484601    4.7389826  0.00   -0.0000907    0.0004324    0.0025708
 H    0.8860967   11.0821041    3.5724995  0.00    0.0006129   -0.0009796    0.0027797
 H   -0.8821523   11.0287760    3.5715303  0.00   -0.0010458   -0.0016629    0.0032479
 C   -0.0342240   12.2719513    1.2790649  0.00    0.0007081    0.0001628   -0.0024906
 H   -0.8921154   11.6203881    1.1110865  0.00   -0.0006101   -0.0003901   -0.0028720
 H    0.8615583   11.6733369    1.1115560  0.00   -0.0002796    0.0001670   -0.0027733
 H   -0.0582128   13.0706840    0.5358611  0.00   -0.0000007    0.0006164   -0.0018942
 C   -5.1303650   13.3034416    2.4171474  0.00   -0.0001599    0.0014131    0.0003086
 C   -6.0227819   13.2821520    3.6635863  0.00    0.0001491    0.0010671    0.0002790
 H   -5.5803235   12.6714715    4.4541518  0.00    0.0002130   -0.0006978   -0.0002090
 H   -7.0011475   12.8619472    3.4176433  0.00    0.0007314    0.0009197   -0.0012362
 H   -6.1878418   14.2850271    4.0629214  0.00    0.0004532   -0.0001382    0.0009980
 C   -5.7755819   14.1932004    1.3478587  0.00   -0.0000497    0.0013928   -0.0002854
 H   -5.9154378   15.2172859    1.7008413  0.00    0.0003891    0.0005827   -0.0010272
 H   -6.7585965   13.8007135    1.0759328  0.00    0.0000042   -0.0000375    0.0009633
 H   -5.1632649   14.2274318    0.4434390  0.00    0.0005680   -0.0005387    0.0000900
 C   -5.0446400   11.8815125    1.8679390  0.00   -0.0015269    0.0018087    0.0001434
 H   -4.4523536   11.8318920    0.9508650  0.00   -0.0004271    0.0012360    0.0001871
 H   -6.0480491   11.5246443    1.6270480  0.00   -0.0009928    0.0023238    0.0007607
 H   -4.6171850   11.1875380    2.5959336  0.00   -0.0008194    0.0002855    0.0008090
 C    4.9929303   13.6060201    2.4307596  0.00   -0.0008342    0.0008580    0.0001922
 C    5.6040997   14.5466227    1.3855883  0.00    0.0000302    0.0011274   -0.0001895
 H    6.6080541   14.2080010    1.1179540  0.00    0.0000693    0.0004238    0.0005359
 H    5.6910437   15.5692083    1.7592111  0.00   -0.0004595    0.0012858   -0.0011185
 H    5.0006163   14.5679823    0.4748391  0.00   -0.0004510   -0.0005251   -0.0000011
 C    5.8682357   13.6120774    3.6896993  0.00   -0.0001738    0.0008339   -0.0000792
 H    5.4509221   12.9619013    4.4622070  0.00   -0.0003052   -0.0006729   -0.0003297
 H    5.9687438   14.6150344    4.1099368  0.00   -0.0005737   -0.0001409    0.0015787
 H    6.8725275   13.2535673    3.4505044  0.00   -0.0006477    0.0009232   -0.0008402
 C    4.9919977   12.1912989    1.8569830  0.00    0.0009413    0.0015258    0.0002720
 H    4.5992686   11.4615501    2.5693253  0.00    0.0005383    0.0003925    0.0007472
 H    6.0158840   11.8959829    1.6190268  0.00    0.0008242    0.0017924    0.0007455
 H    4.4102172   12.1244923    0.9342609  0.00    0.0004476    0.0010475    0.0003427
 C   -3.1499858   17.9905834    4.2661768  0.00    0.0000586    0.0014041    0.0013441
 C   -3.9202129   18.1684398    5.4398067  0.00   -0.0008536    0.0000452   -0.0027501
 C   -4.8218648   19.2272639    5.4907351  0.00   -0.0007765   -0.0017217    0.0000083
 H   -5.4214284   19.3680717    6.3821718  0.00   -0.0021165   -0.0001949   -0.0004610
 C   -4.9760909   20.0944541    4.4275630  0.00    0.0013567   -0.0009422    0.0011636
 H   -5.6897115   20.9079293    4.4875602  0.00    0.0018255    0.0017922    0.0008111
 C   -4.2180727   19.9216512    3.2838526  0.00    0.0009106    0.0006688   -0.0014295
 H   -4.3503710   20.6075750    2.4567838  0.00    0.0005693   -0.0012617    0.0012086
 C   -3.3007268   18.8827681    3.1723663  0.00    0.0002951    0.0000670    0.0009463
 C   -2.5528411   18.7029988    1.8660994  0.00    0.0032052   -0.0023659    0.0015165
 H   -1.6229001   18.1556677    2.0764189  0.00    0.0002393    0.0002649    0.0004944
 C   -3.3587998   17.8435462    0.8888859  0.00   -0.0013621    0.0002941   -0.0000124
 H   -3.5851762   16.8602301    1.3000635  0.00    0.0016092    0.0001935   -0.0007735
 H   -2.8035002   17.7045124   -0.0416297  0.00    0.0004890    0.0011523   -0.0013986
 H   -4.3029186   18.3383861    0.6461953  0.00   -0.0008412    0.0000097   -0.0001980
 C   -2.1846984   20.0247450    1.1998462  0.00   -0.0003553    0.0003152   -0.0009121
 H   -3.0684547   20.5367639    0.8142142  0.00    0.0014747    0.0007538   -0.0012044
 H   -1.5305560   19.8426428    0.3460347  0.00    0.0021309   -0.0002626    0.0003167
 H   -1.6756627   20.7106193    1.8811770  0.00    0.0006842   -0.0010546   -0.0002115
 C   -3.8438995   17.2280737    6.6216258  0.00   -0.0002299   -0.0032191    0.0001383
 H   -2.9703834   16.5881014    6.4818002  0.00   -0.0006134   -0.0002070    0.0001641
 C   -5.0716783   16.3180524    6.6788528  0.00   -0.0017288    0.0001079   -0.0017130
 H   -5.9871056   16.9047734    6.7904160  0.00   -0.0007422    0.0000714   -0.0012586
 H   -5.0027966   15.6427097    7.5350588  0.00   -0.0003092   -0.0008650   -0.0014917
 H   -5.1639911   15.7087493    5.7794207  0.00   -0.0008286   -0.0010175    0.0012030
 C   -3.6919812   17.9740810    7.9464247  0.00   -0.0011863   -0.0006946   -0.0001594
 H   -2.8863242   18.7123815    7.9196376  0.00    0.0000389   -0.0022931    0.0027259
 H   -3.4809429   17.2701753    8.7547512  0.00   -0.0003255   -0.0008311   -0.0003472
 H   -4.6081304   18.5042583    8.2154553  0.00   -0.0004077    0.0012403    0.0025695
 C    2.7157953   18.1638998    4.2797643  0.00   -0.0001018    0.0022033   -0.0016645
 C    2.8309770   19.0146621    3.1513302  0.00    0.0002260    0.0019397   -0.0009033
 C    3.6513513   20.1336724    3.2413816  0.00   -0.0023590   -0.0012075   -0.0000725
 H    3.7575701   20.7866245    2.3834549  0.00   -0.0009096   -0.0000042    0.0005003
 C    4.3438190   20.4255889    4.4020272  0.00   -0.0006516   -0.0002141    0.0002245
 H    4.9786598   21.3028007    4.4494648  0.00   -0.0020297    0.0000989    0.0006439
 C    4.2314555   19.5913547    5.4976984  0.00    0.0029164    0.0026128    0.0001323
 H    4.7874666   19.8218658    6.3985166  0.00    0.0025448   -0.0007823   -0.0001690
 C    3.4345094   18.4512732    5.4646584  0.00   -0.0006606   -0.0026178   -0.0000328
 C    3.4281353   17.5316892    6.6654981  0.00    0.0029307    0.0004318   -0.0004004
 H    2.6056047   16.8251754    6.5385399  0.00   -0.0007221   -0.0011312   -0.0007098
 C    4.7212775   16.7164603    6.7262271  0.00    0.0013162    0.0001184   -0.0010028
 H    4.8568012   16.1094400    5.8304452  0.00    0.0005867   -0.0014312    0.0004193
 H    4.7054150   16.0440375    7.5873279  0.00    0.0003262   -0.0002468   -0.0010328
 H    5.5901420   17.3714615    6.8300237  0.00    0.0005418    0.0004294   -0.0016471
 C    3.2252885   18.2807177    7.9808109  0.00    0.0007283   -0.0008045   -0.0000068
 H    4.0951445   18.8898837    8.2357837  0.00    0.0002065    0.0016122    0.0021920
 H    3.0815462   17.5720180    8.7996785  0.00   -0.0006924    0.0001405   -0.0009065
 H    2.3588450   18.9467958    7.9529420  0.00    0.0001197   -0.0012790    0.0015113
 C    2.1479090   18.7148310    1.8334911  0.00   -0.0019511   -0.0014406   -0.0005331
 H    1.3775039   17.9553104    2.0138252  0.00    0.0001022    0.0003221    0.0003981
 C    1.4738882   19.9431542    1.2301057  0.00   -0.0009294    0.0001517   -0.0007205
 H    0.7895577   20.4282569    1.9310406  0.00   -0.0011243   -0.0018309   -0.0010290
 H    0.9071195   19.6620572    0.3406592  0.00   -0.0007297   -0.0006229    0.0002091
 H    2.2053952   20.6912915    0.9188144  0.00   -0.0006205    0.0003926   -0.0012297
 C    3.1377742   18.1160220    0.8323081  0.00    0.0009916    0.0000032   -0.0000610
 H    3.9380240   18.8278574    0.6140614  0.00    0.0005028    0.0003738   -0.0001839
 H    2.6323841   17.8805129   -0.1072077  0.00   -0.0003455    0.0001152   -0.0005340
 H    3.5904461   17.1998846    1.2122523  0.00   -0.0005056   -0.0005914    0.0003423
 C   -0.1917099   16.9649406    7.1182113  0.00   -0.0003865    0.0021259   -0.0007911
 H    0.6620261   17.5108609    7.5566044  0.00   -0.0001674    0.0024388    0.0004825
 H   -1.0949333   17.4366364    7.5424842  0.00    0.0002507    0.0023500    0.0002269
 C    1.4367119   14.3355209    7.3036158  0.00    0.0007533   -0.0005025    0.0002250
 H    1.5423184   14.2881788    6.2165888  0.00    0.0021398   -0.0007782   -0.0014307
 H    1.4179730   13.3073801    7.6772009  0.00   -0.0009033    0.0008000    0.0010451
 H    2.3362308   14.8061712    7.7076951  0.00    0.0005337    0.0016630   -0.0000175
 C   -0.1341076   15.3277105    9.7201586  0.00    0.0000296   -0.0015620   -0.0011491
 H    0.7274017   15.8879547   10.0935915  0.00   -0.0006718    0.0000028   -0.0009062
 H   -0.0985994   14.3300946   10.1670524  0.00    0.0001353   -0.0005774    0.0005556
 H   -1.0359484   15.8234408   10.0895485  0.00    0.0005705   -0.0001306   -0.0014326
 C   -1.6103488   14.2183463    7.2936913  0.00   -0.0008998   -0.0001243   -0.0003444
 H   -2.5453789   14.6161344    7.6955399  0.00   -0.0001032    0.0017647    0.0002009
 H   -1.5134661   13.1932405    7.6634097  0.00    0.0008423    0.0004601    0.0011750
 H   -1.7076484   14.1675502    6.2060150  0.00   -0.0017201   -0.0011494   -0.0011075
129
 Energy =   -2867.2896028880
 O   -0.1334364   15.5526598    3.8297098  0.00    0.0002200   -0.0020028    0.0037655
Th   -0.2009328   17.7597536    4.8658135  0.00    0.0005960    0.0007294   -0.0012060
Si   -0.1252275   15.2264508    7.8517639  0.00    0.0002075    0.0011623   -0.0020067
 N   -2.1728673   16.9544544    4.1866453  0.00   -0.0011704    0.0029011   -0.0001197
 N    1.8198320   17.0565984    4.2245497  0.00   -0.0008373   -0.0008148   -0.0017771
 C   -2.5897323   13.1386223    2.5935240  0.00   -0.0009623   -0.0012754   -0.0001879
 H   -2.6487372   12.1413087    2.1817910  0.00   -0.0030545    0.0017191    0.0021711
 C   -3.7578385   13.8651968    2.7810710  0.00    0.0000556   -0.0017015    0.0013349
 C   -3.6671886   15.1574287    3.3137829  0.00    0.0002781   -0.0003110    0.0003939
 H   -4.5564762   15.7599086    3.4540397  0.00   -0.0020724   -0.0002422    0.0001445
 C   -2.4380382   15.6968101    3.6542895  0.00   -0.0018476    0.0007500    0.0006013
 C    2.1596982   15.8273382    3.6707624  0.00   -0.0000787    0.0015840    0.0010681
 C    3.4189692   15.3670271    3.3259150  0.00   -0.0002446    0.0005150    0.0019407
 H    4.2712995   16.0182903    3.4778365  0.00    0.0010263   -0.0003055   -0.0000491
 C    3.5870139   14.0852684    2.7866561  0.00    0.0022986   -0.0017362    0.0014899
 C    2.4647191   13.2906926    2.5946042  0.00    0.0019765    0.0003323    0.0003566
 H    2.5842800   12.3002956    2.1793742  0.00    0.0025803    0.0008565    0.0020402
 C   -0.0516339   12.8365492    2.7035217  0.00    0.0001291    0.0006356   -0.0006422
 C   -1.3248240   13.6438715    2.9161663  0.00   -0.0009066    0.0032193   -0.0003435
 C   -1.3063808   14.9070768    3.4485577  0.00    0.0013115   -0.0037864    0.0000225
 C    1.0762900   14.9755488    3.4535566  0.00    0.0003316    0.0005749    0.0013613
 C    1.1711021   13.7178949    2.9170318  0.00   -0.0029256    0.0004505   -0.0010068
 C   -0.0172728   11.6768881    3.7115966  0.00   -0.0005792   -0.0017214    0.0024192
 H   -0.0290557   12.0460827    4.7387681  0.00    0.0000246   -0.0010809    0.0022478
 H    0.8855661   11.0787398    3.5727422  0.00    0.0017758   -0.0006261    0.0030691
 H   -0.8824528   11.0256088    3.5714973  0.00   -0.0007868   -0.0004637    0.0038927
 C   -0.0345788   12.2689985    1.2787730  0.00   -0.0008125   -0.0004910   -0.0015568
 H   -0.8924578   11.6174131    1.1103738  0.00   -0.0003673    0.0012739   -0.0025210
 H    0.8608687   11.6701352    1.1107163  0.00    0.0011531    0.0008953   -0.0029733
 H   -0.0586625   13.0687017    0.5367230  0.00    0.0002882   -0.0005951   -0.0046148
 C   -5.1302533   13.3014158    2.4146447  0.00   -0.0010472    0.0013225    0.0003705
 C   -6.0237689   13.2806942    3.6603315  0.00    0.0011149   -0.0000794    0.0012613
 H   -5.5822481   12.6711223    4.4522617  0.00    0.0004771   -0.0020703   -0.0011512
 H   -7.0018834   12.8604654    3.4136544  0.00    0.0002583   -0.0001448   -0.0011962
 H   -6.1894557   14.2838283    4.0586180  0.00    0.0006549    0.0009922    0.0009204
 C   -5.7748999   14.1923424    1.3460295  0.00    0.0009959    0.0007131   -0.0008587
 H   -5.9154253   15.2156392    1.7007083  0.00    0.0002262    0.0022991   -0.0010028
 H   -6.7575421   13.7999808    1.0728926  0.00   -0.0009840   -0.0006999    0.0005245
 H   -5.1620303   14.2285534    0.4421698  0.00    0.0013004   -0.0012430   -0.0010684
 C   -5.0444427   11.8797130    1.8646053  0.00    0.0007899    0.0008096    0.0007772
 H   -4.4510656   11.8304071    0.9481719  0.00   -0.0009246    0.0023683    0.0002821
 H   -6.0473617   11.5225651    1.6222135  0.00   -0.0020167    0.0034396    0.0017223
 H   -4.6173221   11.1851666    2.5923812  0.00   -0.0021032    0.0014157    0.0007904
 C    4.9925279   13.6036940    2.4285429  0.00    0.0019529    0.0007373   -0.0001559
 C    5.6030308   14.5452472    1.3839188  0.00   -0.0007482    0.0017224   -0.0011894
 H    6.6067669   14.2069849    1.1151247  0.00    0.0001181   -0.0003154    0.0002886
 H    5.6905019   15.5672022    1.7590518  0.00   -0.0005566    0.0019643   -0.0014647
 H    4.9987965   14.5682638    0.4737936  0.00   -0.0006233   -0.0010949   -0.0012691
 C    5.8689363   13.6109038    3.6867282  0.00   -0.0010002    0.0001996    0.0017580
 H    5.4524686   12.9619650    4.4607317  0.00   -0.0001173   -0.0017679   -0.0010763
 H    5.9698791   14.6143954    4.1056331  0.00   -0.0010515   -0.0002091    0.0014097
 H    6.8731501   13.2525237    3.4470330  0.00   -0.0010269   -0.0000396   -0.0010107
 C    4.9917895   12.1890983    1.8543142  0.00   -0.0010612   -0.0001360    0.0005680
 H    4.5993035   11.4590281    2.5665512  0.00    0.0013926    0.0011717    0.0010081
 H    6.0152568   11.8932716    1.6151005  0.00    0.0011684    0.0036837    0.0019268
 H    4.4090621   12.1223116    0.9321592  0.00    0.0006913    0.0019889    0.0002155
 C   -3.1467427   17.9911331    4.2661990  0.00   -0.0001144    0.0013056   -0.0002682
 C   -3.9165513   18.1686993    5.4401922  0.00   -0.0055964    0.0013992    0.0020351
 C   -4.8121956   19.2326578    5.4950113  0.00   -0.0002652   -0.0022461   -0.0019640
 H   -5.4110857   19.3732869    6.3868533  0.00   -0.0027588   -0.0004131   -0.0000525
 C   -4.9606212   20.1058140    4.4358529  0.00    0.0007709   -0.0005790    0.0022218
 H   -5.6690737   20.9239039    4.4996906  0.00    0.0050345   -0.0024162   -0.0001568
 C   -4.2029198   19.9336133    3.2916992  0.00    0.0009219   -0.0038903    0.0024917
 H   -4.3301877   20.6249601    2.4685275  0.00    0.0008581   -0.0024172   -0.0007380
 C   -3.2922948   18.8889491    3.1758209  0.00    0.0001631    0.0026204   -0.0014852
 C   -2.5458377   18.7093953    1.8683110  0.00    0.0006564   -0.0006762   -0.0008682
 H   -1.6113432   18.1697005    2.0780951  0.00    0.0023722   -0.0009007    0.0022659
 C   -3.3471887   17.8396147    0.8961053  0.00   -0.0000052    0.0014447   -0.0006993
 H   -3.5648869   16.8560336    1.3112064  0.00    0.0018191    0.0005856   -0.0011889
 H   -2.7925072   17.7017286   -0.0351444  0.00   -0.0014022    0.0015355    0.0008384
 H   -4.2958372   18.3258832    0.6537119  0.00   -0.0001615    0.0008768   -0.0002456
 C   -2.1884386   20.0306986    1.1948056  0.00    0.0010223   -0.0013303    0.0007814
 H   -3.0765125   20.5339938    0.8072454  0.00    0.0029141   -0.0003264   -0.0003992
 H   -1.5337922   19.8491136    0.3411346  0.00    0.0009638   -0.0007752    0.0020468
 H   -1.6835719   20.7238036    1.8720518  0.00    0.0000576   -0.0020288   -0.0010948
 C   -3.8464793   17.2238046    6.6193108  0.00    0.0007396   -0.0009157   -0.0013016
 H   -2.9737778   16.5827280    6.4801335  0.00    0.0008714   -0.0022269   -0.0003395
 C   -5.0763490   16.3163429    6.6702041  0.00   -0.0015563    0.0007358   -0.0004357
 H   -5.9904984   16.9046790    6.7832827  0.00   -0.0015474    0.0010652   -0.0022862
 H   -5.0105860   15.6370792    7.5236451  0.00    0.0005776   -0.0004676   -0.0030382
 H   -5.1686205   15.7116086    5.7679045  0.00   -0.0015072   -0.0031662    0.0000135
 C   -3.6971742   17.9647254    7.9472629  0.00   -0.0017831    0.0000955   -0.0006649
 H   -2.8906326   18.7020479    7.9241270  0.00    0.0001835   -0.0007980    0.0052843
 H   -3.4888612   17.2579639    8.7539130  0.00    0.0003231   -0.0006427   -0.0024298
 H   -4.6135959   18.4947314    8.2161703  0.00    0.0016981    0.0010333    0.0017690
 C    2.7122784   18.1635959    4.2794162  0.00    0.0042286    0.0078394   -0.0031010
 C    2.8225718   19.0179500    3.1524465  0.00   -0.0005803   -0.0016963    0.0018361
 C    3.6367175   20.1415270    3.2447331  0.00   -0.0031705   -0.0034577   -0.0000211
 H    3.7388319   20.7976675    2.3888958  0.00   -0.0016123   -0.0008862   -0.0016889
 C    4.3281126   20.4348051    4.4055881  0.00   -0.0003129   -0.0001760    0.0021459
 H    4.9575085   21.3159631    4.4552627  0.00   -0.0028425   -0.0019768   -0.0004681
 C    4.2210044   19.5973851    5.4992601  0.00    0.0025608    0.0000161    0.0018745
 H    4.7756153   19.8295023    6.4004499  0.00    0.0036750   -0.0011646    0.0004438
 C    3.4305458   18.4526936    5.4645530  0.00   -0.0002897   -0.0021297   -0.0006008
 C    3.4303963   17.5310702    6.6642487  0.00   -0.0023252   -0.0008998   -0.0036767
 H    2.6088448   16.8228596    6.5386603  0.00    0.0012597    0.0004585   -0.0006505
 C    4.7253973   16.7186604    6.7201620  0.00    0.0016815    0.0006758   -0.0009231
 H    4.8612890   16.1152454    5.8220734  0.00    0.0008829   -0.0022708    0.0004556
 H    4.7121239   16.0433292    7.5790378  0.00    0.0002412   -0.0005376   -0.0015663
 H    5.5927182   17.3754264    6.8255056  0.00    0.0011761    0.0007279   -0.0026264
 C    3.2298702   18.2774030    7.9813896  0.00    0.0016578    0.0014581   -0.0010404
 H    4.0997972   18.8871099    8.2354026  0.00   -0.0019315    0.0008648    0.0017164
 H    3.0890163   17.5673796    8.7996009  0.00   -0.0015531   -0.0003483   -0.0016289
 H    2.3625579   18.9423986    7.9558938  0.00    0.0002353   -0.0008091    0.0037171
 C    2.1417015   18.7161892    1.8336954  0.00   -0.0012815   -0.0006191   -0.0029580
 H    1.3667490   17.9612036    2.0142428  0.00    0.0004721    0.0001209    0.0021619
 C    1.4757143   19.9448919    1.2217634  0.00   -0.0003195   -0.0005619    0.0001144
 H    0.7925184   20.4378584    1.9182398  0.00   -0.0008142   -0.0017532   -0.0003603
 H    0.9091093   19.6616156    0.3328982  0.00   -0.0001534   -0.0012462    0.0000793
 H    2.2120265   20.6870053    0.9070313  0.00   -0.0022872   -0.0009412   -0.0008597
 C    3.1316206   18.1076344    0.8380277  0.00    0.0006562    0.0006820   -0.0001702
 H    3.9362441   18.8143358    0.6191086  0.00   -0.0004871    0.0018400   -0.0000947
 H    2.6275831   17.8706552   -0.1019512  0.00    0.0005946    0.0004925    0.0006666
 H    3.5788993   17.1909775    1.2229755  0.00   -0.0018942   -0.0006707    0.0005888
 C   -0.1920504   16.9660196    7.1196128  0.00    0.0005780    0.0025313   -0.0024243
 H    0.6620567   17.5121893    7.5571875  0.00   -0.0019215    0.0034788   -0.0001070
 H   -1.0954675   17.4377833    7.5433320  0.00    0.0005844    0.0042177    0.0002733
 C    1.4364808   14.3378994    7.3108282  0.00    0.0018189   -0.0001479   -0.0019043
 H    1.5406413   14.2881897    6.2236578  0.00    0.0031592   -0.0009499   -0.0000580
 H    1.4188271   13.3105924    7.6867308  0.00   -0.0006578    0.0012596    0.0012754
 H    2.3359094   14.8105870    7.7128162  0.00    0.0005004    0.0003511   -0.0004207
 C   -0.1349080   15.3358567    9.7249037  0.00    0.0000469   -0.0013410    0.0001086
 H    0.7262884   15.8971036   10.0976985  0.00   -0.0008649   -0.0010397   -0.0018453
 H   -0.0994166   14.3390482   10.1734311  0.00    0.0000743   -0.0010630    0.0027717
 H   -1.0369159   15.8323208   10.0929914  0.00    0.0005979   -0.0010845   -0.0018313
 C   -1.6096552   14.2195721    7.3005536  0.00   -0.0009363   -0.0004528   -0.0012162
 H   -2.5452155   14.6180078    7.7004930  0.00   -0.0004074    0.0009323    0.0002946
 H   -1.5122044   13.1954302    7.6727984  0.00   -0.0002022    0.0005684    0.0011704
 H   -1.7056117   14.1661003    6.2128326  0.00   -0.0021563   -0.0011352   -0.0005899
129
 Energy =   -2867.2896049170
 O   -0.1334328   15.5533884    3.8301341  0.00   -0.0004519   -0.0014970    0.0031303
Th   -0.2009877   17.7606481    4.8660398  0.00    0.0003665   -0.0000008   -0.0018674
Si   -0.1251448   15.2255208    7.8500818  0.00    0.0002597    0.0009504   -0.0015145
 N   -2.1729644   16.9552384    4.1873164  0.00   -0.0006896    0.0003601   -0.0009388
 N    1.8197992   17.0575568    4.2247718  0.00    0.0007367   -0.0004811   -0.0012233
 C   -2.5897457   13.1394686    2.5939025  0.00   -0.0022140   -0.0008097   -0.0000799
 H   -2.6490318   12.1421431    2.1824303  0.00   -0.0024283    0.0004563    0.0012721
 C   -3.7578640   13.8660034    2.7816911  0.00    0.0012033   -0.0008058    0.0007555
 C   -3.6671002   15.1582373    3.3142939  0.00   -0.0006133    0.0006762    0.0008994
 H   -4.5564638   15.7606070    3.4547774  0.00   -0.0013685   -0.0004352   -0.0000330
 C   -2.4379424   15.6975917    3.6548077  0.00   -0.0024978    0.0004599    0.0000942
 C    2.1596278   15.8282192    3.6711520  0.00   -0.0005118    0.0008815    0.0006825
 C    3.4189383   15.3679593    3.3264474  0.00    0.0010334    0.0001343    0.0015344
 H    4.2712625   16.0192863    3.4783307  0.00    0.0009208   -0.0002511    0.0000869
 C    3.5871328   14.0861895    2.7872632  0.00    0.0017828   -0.0005406    0.0008380
 C    2.4648911   13.2916687    2.5950400  0.00   -0.0001474   -0.0003082    0.0003581
 H    2.5846480   12.3012130    2.1800912  0.00    0.0022316    0.0005137    0.0014697
 C   -0.0515738   12.8373688    2.7034778  0.00   -0.0002508   -0.0002025    0.0000789
 C   -1.3247993   13.6447173    2.9162352  0.00    0.0000123    0.0021210    0.0005983
 C   -1.3063627   14.9078216    3.4488400  0.00    0.0015061   -0.0018978    0.0004825
 C    1.0762475   14.9763705    3.4538633  0.00    0.0002208    0.0003858    0.0007844
 C    1.1710742   13.7187794    2.9171403  0.00   -0.0003396    0.0005432   -0.0000679
 C   -0.0171711   11.6776833    3.7118133  0.00   -0.0002815   -0.0006513    0.0014805
 H   -0.0289284   12.0469609    4.7389727  0.00    0.0000534   -0.0006231    0.0017957
 H    0.8857360   11.0795620    3.5731419  0.00    0.0013216   -0.0004828    0.0026908
 H   -0.8823646   11.0263657    3.5720161  0.00   -0.0007468   -0.0005015    0.0032682
 C   -0.0344752   12.2698338    1.2785865  0.00   -0.0004195    0.0002445   -0.0012234
 H   -0.8923323   11.6182677    1.1100753  0.00   -0.0005868    0.0009707   -0.0021751
 H    0.8610277   11.6710536    1.1104458  0.00    0.0009418    0.0007972   -0.0025075
 H   -0.0585322   13.0693996    0.5362897  0.00    0.0002074   -0.0006214   -0.0031381
 C   -5.1302792   13.3023070    2.4154794  0.00   -0.0005934    0.0001459    0.0002984
 C   -6.0234681   13.2812381    3.6613721  0.00    0.0004700    0.0004895    0.0004949
 H   -5.5816341   12.6711492    4.4527363  0.00    0.0001041   -0.0015325   -0.0007904
 H   -7.0015557   12.8609661    3.4145600  0.00    0.0003312    0.0003023   -0.0005445
 H   -6.1890879   14.2842022    4.0602120  0.00    0.0006713    0.0003418    0.0005921
 C   -5.7750769   14.1927655    1.3465331  0.00    0.0005984    0.0009818   -0.0001393
 H   -5.9154890   15.2163971    1.7004834  0.00    0.0003665    0.0011558   -0.0010190
 H   -6.7578122   13.8001188    1.0739224  0.00   -0.0002225    0.0000492    0.0003691
 H   -5.1623042   14.2281611    0.4425260  0.00    0.0007420   -0.0008137   -0.0005557
 C   -5.0445446   11.8805295    1.8656794  0.00   -0.0002096    0.0012482    0.0006065
 H   -4.4514527   11.8311590    0.9490700  0.00   -0.0009214    0.0018914    0.0003554
 H   -6.0476877   11.5236264    1.6237672  0.00   -0.0012948    0.0028018    0.0012654
 H   -4.6173482   11.1861671    2.5935618  0.00   -0.0019058    0.0010182    0.0005840
 C    4.9926469   13.6046260    2.4292688  0.00    0.0006000    0.0003100    0.0001982
 C    5.6033226   14.5458349    1.3843804  0.00   -0.0005922    0.0011376   -0.0004901
 H    6.6071113   14.2072519    1.1160635  0.00   -0.0002090    0.0003776    0.0000843
 H    5.6906983   15.5680885    1.7588297  0.00   -0.0006304    0.0012750   -0.0012084
 H    4.9992541   14.5681110    0.4740918  0.00   -0.0003174   -0.0006568   -0.0008489
 C    5.8687064   13.6113632    3.6876820  0.00   -0.0005448    0.0002446    0.0006667
 H    5.4519402   12.9618671    4.4610557  0.00    0.0001159   -0.0013664   -0.0006604
 H    5.9696119   14.6145838    4.1072598  0.00   -0.0009957   -0.0001857    0.0010826
 H    6.8728603   13.2529061    3.4478375  0.00   -0.0007388    0.0003272   -0.0003508
 C    4.9918578   12.1899832    1.8551942  0.00    0.0000899    0.0006933    0.0005340
 H    4.5993047   11.4600550    2.5675163  0.00    0.0012970    0.0008843    0.0007404
 H    6.0155133   11.8944455    1.6164026  0.00    0.0006802    0.0027872    0.0014146
 H    4.4093912   12.1232280    0.9328862  0.00    0.0006843    0.0015402    0.0002618
 C   -3.1476824   17.9911257    4.2662494  0.00   -0.0018572   -0.0001613   -0.0004948
 C   -3.9177975   18.1686032    5.4400709  0.00   -0.0023726   -0.0017129   -0.0004525
 C   -4.8151940   19.2309521    5.4936681  0.00   -0.0013146   -0.0012751    0.0005614
 H   -5.4144660   19.3715386    6.3853020  0.00   -0.0023372   -0.0002106   -0.0001396
 C   -4.9650678   20.1025098    4.4334991  0.00    0.0020567   -0.0001603    0.0011983
 H   -5.6747793   20.9193777    4.4962958  0.00    0.0033151    0.0000094    0.0002990
 C   -4.2073749   19.9300371    3.2894265  0.00    0.0018397   -0.0001444    0.0013983
 H   -4.3362075   20.6196571    2.4650345  0.00    0.0010963   -0.0009843   -0.0000786
 C   -3.2947244   18.8872042    3.1748000  0.00    0.0007866    0.0000322    0.0001570
 C   -2.5478928   18.7074440    1.8676404  0.00    0.0012026    0.0000657   -0.0000815
 H   -1.6147165   18.1655097    2.0775630  0.00    0.0017835   -0.0000523    0.0016920
 C   -3.3506331   17.8407769    0.8939551  0.00    0.0002037    0.0001625   -0.0000267
 H   -3.5707235   16.8572573    1.3078602  0.00    0.0019603   -0.0000831   -0.0008385
 H   -2.7957443   17.7026642   -0.0370697  0.00   -0.0009566    0.0014532   -0.0000517
 H   -4.2980118   18.3294469    0.6515228  0.00   -0.0007515    0.0005299   -0.0001960
 C   -2.1873867   20.0288457    1.1961872  0.00    0.0006074   -0.0009618   -0.0004143
 H   -3.0741110   20.5347969    0.8091402  0.00    0.0020362   -0.0006133   -0.0007582
 H   -1.5327672   19.8471679    0.3425619  0.00    0.0011543   -0.0008619    0.0013343
 H   -1.6812952   20.7197745    1.8745817  0.00    0.0005295   -0.0004267   -0.0001203
 C   -3.8459580   17.2249196    6.6199382  0.00    0.0002269   -0.0010991   -0.0011867
 H   -2.9729693   16.5841806    6.4806322  0.00   -0.0001540   -0.0013583   -0.0000811
 C   -5.0752236   16.3167816    6.6726228  0.00   -0.0012552   -0.0001334   -0.0014993
 H   -5.9897505   16.9046058    6.7852340  0.00   -0.0014355    0.0009741   -0.0018105
 H   -5.0084578   15.6385951    7.5267702  0.00   -0.0000939   -0.0008951   -0.0020430
 H   -5.1674420   15.7106320    5.7712266  0.00   -0.0014819   -0.0021297   -0.0001148
 C   -3.6959547   17.9672917    7.9470303  0.00   -0.0005601   -0.0004009    0.0001315
 H   -2.8894500   18.7046459    7.9229832  0.00    0.0001893   -0.0007035    0.0043657
 H   -3.4867759   17.2613744    8.7541465  0.00   -0.0004065   -0.0013029   -0.0018557
 H   -4.6121011   18.4975735    8.2162094  0.00    0.0009033    0.0008178    0.0013676
 C    2.7133053   18.1638929    4.2794756  0.00    0.0020596    0.0005634   -0.0019048
 C    2.8249762   19.0170729    3.1520807  0.00   -0.0007615   -0.0005016   -0.0006998
 C    3.6409634   20.1391862    3.2437259  0.00   -0.0023520   -0.0003407    0.0010582
 H    3.7444386   20.7943359    2.3872630  0.00   -0.0019302   -0.0001511   -0.0010057
 C    4.3326610   20.4321060    4.4045714  0.00   -0.0017555    0.0001194    0.0007230
 H    4.9634704   21.3121343    4.4536535  0.00   -0.0020383   -0.0000225   -0.0002700
 C    4.2242768   19.5955947    5.4987692  0.00    0.0010508   -0.0003800    0.0012661
 H    4.7795007   19.8270503    6.3997401  0.00    0.0032456   -0.0006311    0.0006735
 C    3.4317977   18.4522938    5.4645306  0.00    0.0011151   -0.0015526   -0.0002452
 C    3.4299422   17.5311868    6.6645101  0.00    0.0006673    0.0005767   -0.0017793
 H    2.6081416   16.8234635    6.5385809  0.00    0.0000857   -0.0004179   -0.0006768
 C    4.7244329   16.7179955    6.7218048  0.00    0.0007288    0.0000411   -0.0010772
 H    4.8601322   16.1134023    5.8244717  0.00    0.0009736   -0.0017408   -0.0001041
 H    4.7102808   16.0434885    7.5813102  0.00    0.0006990   -0.0004533   -0.0012926
 H    5.5921912   17.3742167    6.8266533  0.00    0.0012900    0.0009020   -0.0021785
 C    3.2288121   18.2783165    7.9812117  0.00    0.0003945   -0.0004009   -0.0006200
 H    4.0985170   18.8880438    8.2357217  0.00   -0.0009993    0.0008647    0.0012940
 H    3.0869885   17.5686549    8.7995949  0.00   -0.0006458   -0.0003756   -0.0016832
 H    2.3615926   18.9433754    7.9551221  0.00   -0.0001625   -0.0002692    0.0028699
 C    2.1435505   18.7157384    1.8335224  0.00   -0.0008653    0.0000269   -0.0011088
 H    1.3699906   17.9594052    2.0140393  0.00   -0.0003253   -0.0000111    0.0017963
 C    1.4752169   19.9442650    1.2240784  0.00   -0.0001275   -0.0004418   -0.0011657
 H    0.7915988   20.4347697    1.9217774  0.00   -0.0013890   -0.0005538    0.0002057
 H    0.9085147   19.6616283    0.3351018  0.00   -0.0001949   -0.0013733   -0.0003778
 H    2.2100736   20.6881968    0.9103604  0.00   -0.0016493   -0.0008149   -0.0010955
 C    3.1335242   18.1100578    0.8363388  0.00    0.0005224   -0.0001782   -0.0001746
 H    3.9369010   18.8182037    0.6175820  0.00    0.0000546    0.0014765   -0.0001316
 H    2.6290365   17.8735088   -0.1034734  0.00    0.0005838    0.0002349    0.0001145
 H    3.5823517   17.1935505    1.2198375  0.00   -0.0017069   -0.0009407    0.0009045
 C   -0.1919253   16.9657526    7.1191374  0.00   -0.0003795    0.0024370   -0.0010679
 H    0.6620657   17.5119187    7.5568975  0.00   -0.0013699    0.0031264    0.0001833
 H   -1.0953451   17.4374918    7.5429773  0.00    0.0009767    0.0034537    0.0001922
 C    1.4366301   14.3371605    7.3087096  0.00    0.0008530    0.0006303   -0.0012854
 H    1.5412268   14.2881316    6.2215773  0.00    0.0029221   -0.0011967   -0.0005049
 H    1.4185687   13.3096722    7.6840542  0.00   -0.0003492    0.0010088    0.0013432
 H    2.3359727   14.8094809    7.7113284  0.00    0.0005398    0.0004012   -0.0004283
 C   -0.1346592   15.3333662    9.7233890  0.00   -0.0000195   -0.0010771   -0.0003494
 H    0.7265245   15.8943688   10.0964716  0.00   -0.0002441   -0.0006473   -0.0016605
 H   -0.0991549   14.3363293   10.1714470  0.00    0.0000661   -0.0009608    0.0021485
 H   -1.0365542   15.8296503   10.0918924  0.00    0.0000048   -0.0007988   -0.0017315
 C   -1.6099144   14.2192005    7.2985152  0.00   -0.0006043    0.0004528   -0.0010293
 H   -2.5452361   14.6176506    7.6990607  0.00   -0.0000460    0.0006737    0.0000291
 H   -1.5124904   13.1948535    7.6701789  0.00   -0.0002656    0.0005008    0.0012644
 H   -1.7063023   14.1664218    6.2108049  0.00   -0.0019974   -0.0013739   -0.0004673
129
 Energy =   -2867.2896099180
 O   -0.1335746   15.5508343    3.8299966  0.00   -0.0011639   -0.0002705    0.0045477
Th   -0.2011383   17.7588590    4.8657700  0.00    0.0017415    0.0005462   -0.0043462
Si   -0.1252888   15.2281522    7.8545327  0.00    0.0001413    0.0009916   -0.0010314
 N   -2.1726561   16.9539528    4.1852956  0.00   -0.0004721    0.0001256    0.0010619
 N    1.8195474   17.0555216    4.2239760  0.00   -0.0003376    0.0027247   -0.0005179
 C   -2.5896901   13.1369251    2.5930047  0.00    0.0000139    0.0043059    0.0027763
 H   -2.6482428   12.1397277    2.1815099  0.00   -0.0042501   -0.0015756    0.0004291
 C   -3.7576366   13.8637683    2.7805832  0.00    0.0004285    0.0005721   -0.0007180
 C   -3.6666409   15.1561144    3.3130021  0.00   -0.0029690   -0.0000833    0.0018269
 H   -4.5558587   15.7585866    3.4527428  0.00   -0.0039539    0.0007962   -0.0000399
 C   -2.4378898   15.6957726    3.6539979  0.00   -0.0012446   -0.0000667   -0.0010857
 C    2.1593748   15.8261234    3.6705795  0.00   -0.0010229   -0.0030023   -0.0003786
 C    3.4184369   15.3653539    3.3257584  0.00    0.0009089   -0.0012908    0.0003479
 H    4.2706576   16.0166844    3.4772410  0.00    0.0032058    0.0007851    0.0004248
 C    3.5867520   14.0835737    2.7861691  0.00    0.0023522    0.0043555    0.0021266
 C    2.4646112   13.2890445    2.5940880  0.00   -0.0054639    0.0024956    0.0026433
 H    2.5833801   12.2985737    2.1791384  0.00    0.0044448   -0.0005274    0.0007150
 C   -0.0517321   12.8347355    2.7032657  0.00   -0.0014576   -0.0014922    0.0001783
 C   -1.3248722   13.6423523    2.9158905  0.00   -0.0011652    0.0008146    0.0001372
 C   -1.3064393   14.9054738    3.4485053  0.00    0.0007640    0.0000973    0.0014358
 C    1.0758999   14.9739290    3.4535791  0.00    0.0043283    0.0013081    0.0005606
 C    1.1707706   13.7163120    2.9167257  0.00    0.0032446    0.0009175    0.0001623
 C   -0.0175062   11.6751664    3.7121896  0.00    0.0012890    0.0003985    0.0000516
 H   -0.0293448   12.0449091    4.7392584  0.00    0.0001677   -0.0005536    0.0005683
 H    0.8854025   11.0767251    3.5740805  0.00    0.0002738    0.0009832    0.0022544
 H   -0.8826620   11.0236995    3.5728497  0.00   -0.0011000    0.0000557    0.0024973
 C   -0.0348614   12.2675093    1.2779948  0.00    0.0015671    0.0020430   -0.0002131
 H   -0.8926168   11.6160741    1.1089253  0.00   -0.0020119    0.0007421   -0.0015037
 H    0.8605049   11.6686408    1.1091312  0.00    0.0008587    0.0016403   -0.0015338
 H   -0.0588736   13.0677462    0.5362339  0.00    0.0001821   -0.0024218   -0.0021394
 C   -5.1301758   13.3009430    2.4133879  0.00    0.0015716   -0.0006498    0.0006578
 C   -6.0242142   13.2798706    3.6586499  0.00   -0.0017915    0.0005470   -0.0013384
 H   -5.5830066   12.6703222    4.4507126  0.00    0.0002551   -0.0022656   -0.0007563
 H   -7.0019778   12.8592622    3.4106307  0.00    0.0016628    0.0007906    0.0011357
 H   -6.1906667   14.2830421    4.0567791  0.00    0.0009980   -0.0007572    0.0005966
 C   -5.7743529   14.1921496    1.3446473  0.00   -0.0012501   -0.0000429    0.0006798
 H   -5.9156376   15.2153418    1.6997184  0.00    0.0007953    0.0003304   -0.0020500
 H   -6.7568469   13.7990859    1.0711724  0.00    0.0019611    0.0013545    0.0003288
 H   -5.1608965   14.2287583    0.4411650  0.00    0.0004016   -0.0010648   -0.0007168
 C   -5.0440073   11.8793480    1.8629354  0.00   -0.0023648    0.0026461   -0.0000689
 H   -4.4499847   11.8306453    0.9468668  0.00   -0.0014952    0.0017122    0.0004260
 H   -6.0469649   11.5224877    1.6198452  0.00   -0.0001452    0.0030682    0.0017894
 H   -4.6172814   11.1847264    2.5907717  0.00   -0.0019929    0.0005246    0.0011438
 C    4.9924004   13.6029549    2.4273881  0.00   -0.0024990   -0.0005866    0.0008331
 C    5.6022537   14.5448209    1.3826078  0.00    0.0014475   -0.0005158   -0.0000546
 H    6.6058753   14.2059777    1.1134540  0.00   -0.0021710    0.0014421   -0.0000635
 H    5.6903514   15.5667156    1.7579795  0.00   -0.0010168    0.0007796   -0.0019739
 H    4.9974368   14.5679847    0.4728762  0.00   -0.0000875   -0.0007711   -0.0013872
 C    5.8691847   13.6102495    3.6852434  0.00    0.0019724   -0.0001483   -0.0013182
 H    5.4530365   12.9614524    4.4594302  0.00   -0.0000765   -0.0024120   -0.0003319
 H    5.9707288   14.6138166    4.1039171  0.00   -0.0012949   -0.0008553    0.0011805
 H    6.8731276   13.2515859    3.4443718  0.00   -0.0018993    0.0005524    0.0012644
 C    4.9912205   12.1883141    1.8530322  0.00    0.0025715    0.0029917    0.0002804
 H    4.5990153   11.4583906    2.5654556  0.00    0.0013365    0.0003173    0.0013372
 H    6.0147108   11.8927523    1.6133233  0.00   -0.0001082    0.0028077    0.0017650
 H    4.4079525   12.1219732    0.9312154  0.00    0.0009643    0.0013263   -0.0000082
 C   -3.1449916   17.9921353    4.2663125  0.00    0.0010787   -0.0040376    0.0008942
 C   -3.9151264   18.1687589    5.4405015  0.00    0.0001851    0.0001121   -0.0028700
 C   -4.8069698   19.2355518    5.4974130  0.00   -0.0039390    0.0002120    0.0049104
 H   -5.4058306   19.3760553    6.3894620  0.00   -0.0017180   -0.0007529   -0.0018781
 C   -4.9511082   20.1127068    4.4411326  0.00    0.0024878   -0.0051187   -0.0001302
 H   -5.6556182   20.9336354    4.5072341  0.00    0.0010162    0.0006694   -0.0001397
 C   -4.1939710   19.9404543    3.2967260  0.00    0.0021382   -0.0001149   -0.0047592
 H   -4.3183840   20.6345968    2.4753018  0.00    0.0006158   -0.0037061    0.0015093
 C   -3.2871245   18.8928191    3.1777772  0.00   -0.0036344    0.0021006    0.0026154
 C   -2.5418550   18.7131289    1.8695684  0.00    0.0054277   -0.0031592   -0.0011730
 H   -1.6042989   18.1779078    2.0794392  0.00   -0.0019519    0.0013483    0.0011379
 C   -3.3402210   17.8370919    0.9004131  0.00   -0.0051085    0.0042015    0.0019162
 H   -3.5524597   16.8534190    1.3178713  0.00    0.0013073   -0.0000478   -0.0013063
 H   -2.7860165   17.7000850   -0.0309930  0.00    0.0002045    0.0010070   -0.0021823
 H   -4.2918564   18.3180477    0.6579985  0.00    0.0038242   -0.0000931    0.0010897
 C   -2.1908259   20.0337926    1.1915059  0.00   -0.0012174    0.0010532    0.0025545
 H   -3.0813441   20.5320348    0.8025335  0.00    0.0046215   -0.0021540    0.0007066
 H   -1.5357477   19.8526129    0.3383177  0.00    0.0023190   -0.0024515   -0.0004549
 H   -1.6886264   20.7313805    1.8659803  0.00    0.0007385   -0.0013531    0.0004825
 C   -3.8484365   17.2209869    6.6175169  0.00   -0.0000706    0.0001993    0.0014894
 H   -2.9762881   16.5789280    6.4788436  0.00   -0.0001213   -0.0008935   -0.0007171
 C   -5.0797248   16.3151234    6.6645995  0.00   -0.0005749    0.0004938   -0.0030993
 H   -5.9932038   16.9044346    6.7783715  0.00   -0.0009423    0.0004406   -0.0021195
 H   -5.0153019   15.6332999    7.5159472  0.00   -0.0002093   -0.0006226   -0.0007120
 H   -5.1719209   15.7126385    5.7607755  0.00   -0.0015572   -0.0020624   -0.0000906
 C   -3.7008690   17.9587337    7.9476838  0.00    0.0041672    0.0003280   -0.0015166
 H   -2.8933238   18.6951141    7.9278494  0.00   -0.0008853   -0.0003681    0.0039881
 H   -3.4937224   17.2500929    8.7528887  0.00   -0.0008612   -0.0025262   -0.0019181
 H   -4.6168256   18.4890821    8.2172161  0.00    0.0001406    0.0004832    0.0004254
 C    2.7103815   18.1642156    4.2789575  0.00    0.0008480   -0.0031862    0.0039019
 C    2.8175423   19.0199020    3.1530547  0.00    0.0000810    0.0007878   -0.0045343
 C    3.6279514   20.1459374    3.2467884  0.00   -0.0004902    0.0017841   -0.0022915
 H    3.7279109   20.8036185    2.3917346  0.00   -0.0020558   -0.0023349    0.0003466
 C    4.3184682   20.4403061    4.4078862  0.00   -0.0003631   -0.0035797    0.0025624
 H    4.9442392   21.3237454    4.4588032  0.00   -0.0006030    0.0001835   -0.0012401
 C    4.2152446   19.6008629    5.5004308  0.00    0.0015684    0.0008379   -0.0003912
 H    4.7695652   19.8336545    6.4016148  0.00    0.0034613   -0.0012911    0.0002827
 C    3.4285388   18.4536903    5.4643784  0.00   -0.0012803   -0.0020762   -0.0019341
 C    3.4320083   17.5305583    6.6629756  0.00    0.0013415    0.0025042   -0.0006162
 H    2.6114486   16.8212344    6.5383803  0.00   -0.0011881   -0.0004194   -0.0011518
 C    4.7283973   16.7199621    6.7160116  0.00   -0.0007988   -0.0013984   -0.0017857
 H    4.8643929   16.1182190    5.8167735  0.00    0.0008519   -0.0012287    0.0002637
 H    4.7163028   16.0426305    7.5733729  0.00    0.0011154    0.0006694   -0.0012137
 H    5.5948105   17.3777167    6.8220649  0.00    0.0018489    0.0009067   -0.0025677
 C    3.2332665   18.2752584    7.9815810  0.00   -0.0063660   -0.0032564    0.0001683
 H    4.1024029   18.8857336    8.2356261  0.00    0.0011474    0.0013267    0.0008119
 H    3.0937875   17.5640742    8.7992316  0.00    0.0004043    0.0002084   -0.0037258
 H    2.3648348   18.9389026    7.9586835  0.00    0.0006587    0.0002211    0.0023817
 C    2.1382264   18.7168865    1.8334391  0.00   -0.0003424   -0.0028945    0.0017474
 H    1.3607410   17.9644427    2.0147904  0.00    0.0010622    0.0010419    0.0013036
 C    1.4770762   19.9454708    1.2164368  0.00   -0.0035556    0.0006399    0.0018644
 H    0.7943931   20.4430650    1.9102025  0.00    0.0005722   -0.0017766   -0.0003164
 H    0.9102930   19.6607329    0.3282586  0.00   -0.0002228   -0.0020956   -0.0017641
 H    2.2159602   20.6839897    0.8993409  0.00   -0.0023714   -0.0008524   -0.0006045
 C    3.1281670   18.1023600    0.8414007  0.00    0.0026921    0.0019907    0.0008597
 H    3.9355199   18.8059606    0.6219166  0.00   -0.0023064    0.0011526    0.0006382
 H    2.6248615   17.8645729   -0.0986595  0.00    0.0004113   -0.0000522   -0.0009629
 H    3.5718595   17.1852848    1.2295543  0.00   -0.0023205    0.0000318    0.0001872
 C   -0.1922405   16.9666619    7.1198674  0.00   -0.0002707    0.0018542   -0.0003394
 H    0.6618221   17.5133443    7.5570439  0.00   -0.0019421    0.0035796   -0.0004640
 H   -1.0957911   17.4385885    7.5433137  0.00    0.0011794    0.0042390   -0.0003846
 C    1.4366868   14.3390419    7.3151418  0.00   -0.0000538    0.0015042   -0.0003870
 H    1.5401102   14.2879455    6.2280491  0.00    0.0041896   -0.0017656   -0.0015907
 H    1.4193750   13.3123629    7.6928581  0.00    0.0001422    0.0020460    0.0007192
 H    2.3357992   14.8133332    7.7160466  0.00    0.0005119   -0.0009778   -0.0005025
 C   -0.1353757   15.3404748    9.7275313  0.00    0.0003485   -0.0049523    0.0004678
 H    0.7253637   15.9023748   10.1000019  0.00    0.0017840   -0.0002904   -0.0019166
 H   -0.0998705   14.3442265   10.1776375  0.00   -0.0000698    0.0007672    0.0018226
 H   -1.0372312   15.8374288   10.0948762  0.00   -0.0022549   -0.0005124   -0.0016226
 C   -1.6094803   14.2200673    7.3046552  0.00    0.0007365    0.0002976    0.0003770
 H   -2.5451505   14.6192824    7.7036916  0.00    0.0002199   -0.0003761   -0.0000743
 H   -1.5114633   13.1965794    7.6787884  0.00   -0.0014427    0.0018211    0.0003507
 H   -1.7046733   14.1649675    6.2170076  0.00   -0.0029112   -0.0016415   -0.0013556
129
 Energy =   -2867.2896145680
 O   -0.1336481   15.5515105    3.8306090  0.00    0.0020172   -0.0006796    0.0021805
Th   -0.2011290   17.7596105    4.8658089  0.00    0.0004140    0.0004365   -0.0032192
Si   -0.1252006   15.2274018    7.8529733  0.00   -0.0002246    0.0004783   -0.0001337
 N   -2.1728245   16.9546633    4.1858320  0.00   -0.0002651   -0.0036649   -0.0007573
 N    1.8196342   17.0564992    4.2241051  0.00    0.0003471   -0.0034066   -0.0001764
 C   -2.5898212   13.1378453    2.5934084  0.00    0.0005201   -0.0003819    0.0002608
 H   -2.6487070   12.1404328    2.1820081  0.00   -0.0030917    0.0011502    0.0012865
 C   -3.7577082   13.8645570    2.7811080  0.00   -0.0005254    0.0024542    0.0002493
 C   -3.6667792   15.1569216    3.3135377  0.00   -0.0019604   -0.0007888    0.0004956
 H   -4.5560797   15.7592044    3.4533630  0.00   -0.0037617    0.0012057    0.0000170
 C   -2.4379907   15.6965223    3.6544001  0.00   -0.0000939    0.0000685   -0.0000590
 C    2.1592930   15.8268732    3.6709163  0.00    0.0056011    0.0009807    0.0001275
 C    3.4185907   15.3660999    3.3262397  0.00    0.0002548    0.0044983    0.0021787
 H    4.2708603   16.0176141    3.4776865  0.00    0.0014745   -0.0001745    0.0004251
 C    3.5869952   14.0846099    2.7867942  0.00   -0.0028969   -0.0019985   -0.0005630
 C    2.4645949   13.2900641    2.5945812  0.00    0.0038176   -0.0012752   -0.0003390
 H    2.5839057   12.2993908    2.1797450  0.00    0.0028183    0.0027285    0.0018038
 C   -0.0517536   12.8355209    2.7032942  0.00    0.0012111    0.0007609    0.0008173
 C   -1.3249469   13.6432487    2.9160035  0.00    0.0007694   -0.0011873    0.0018340
 C   -1.3064769   14.9062412    3.4488263  0.00   -0.0005963    0.0015116    0.0012369
 C    1.0761242   14.9748239    3.4538869  0.00   -0.0045902   -0.0015974    0.0002717
 C    1.1709871   13.7172215    2.9168529  0.00   -0.0031771    0.0008729    0.0027157
 C   -0.0173618   11.6760090    3.7124391  0.00   -0.0007720   -0.0003715    0.0002184
 H   -0.0292202   12.0456381    4.7395962  0.00    0.0002725    0.0003626   -0.0004267
 H    0.8855952   11.0775878    3.5745807  0.00    0.0000669    0.0008730    0.0015166
 H   -0.8826558   11.0244508    3.5734878  0.00    0.0005293    0.0009208    0.0018345
 C   -0.0347065   12.2684649    1.2778426  0.00   -0.0009196   -0.0013196    0.0005424
 H   -0.8926534   11.6169915    1.1086725  0.00    0.0005766    0.0020266   -0.0008967
 H    0.8607389   11.6696611    1.1089020  0.00    0.0000895    0.0015935   -0.0009989
 H   -0.0587476   13.0683867    0.5358006  0.00    0.0001467   -0.0007787   -0.0014260
 C   -5.1301244   13.3016268    2.4141164  0.00   -0.0005678    0.0008930    0.0000131
 C   -6.0240004   13.2803353    3.6594564  0.00    0.0015241   -0.0010454    0.0005192
 H   -5.5824582   12.6702021    4.4510673  0.00   -0.0009694   -0.0003940   -0.0016273
 H   -7.0016180   12.8597049    3.4115316  0.00   -0.0005377    0.0003190    0.0005587
 H   -6.1902568   14.2832685    4.0580942  0.00    0.0006636    0.0000688    0.0007291
 C   -5.7745184   14.1924789    1.3450937  0.00    0.0018926   -0.0005756   -0.0001037
 H   -5.9156097   15.2158987    1.6994008  0.00    0.0006644    0.0009331   -0.0011333
 H   -6.7569653   13.7993104    1.0719861  0.00    0.0005651    0.0009046   -0.0001536
 H   -5.1610830   14.2283194    0.4414370  0.00   -0.0006426   -0.0004972    0.0006545
 C   -5.0441487   11.8801567    1.8638345  0.00    0.0003150    0.0004843    0.0009460
 H   -4.4503138   11.8313667    0.9476435  0.00   -0.0015282    0.0013441    0.0005272
 H   -6.0471265   11.5234220    1.6212056  0.00   -0.0017238    0.0021658    0.0007251
 H   -4.6173367   11.1855595    2.5917782  0.00   -0.0023200    0.0011862   -0.0000564
 C    4.9923879   13.6036912    2.4280375  0.00    0.0001779    0.0015452    0.0005450
 C    5.6025194   14.5452560    1.3829912  0.00   -0.0021246   -0.0003945   -0.0002885
 H    6.6060479   14.2063190    1.1141589  0.00   -0.0001143    0.0008493   -0.0005522
 H    5.6904346   15.5674241    1.7576534  0.00   -0.0009626    0.0006464   -0.0012147
 H    4.9978034   14.5677644    0.4730585  0.00    0.0006690   -0.0003250   -0.0000282
 C    5.8690368   13.6105970    3.6859679  0.00   -0.0016617   -0.0010592    0.0008231
 H    5.4525757   12.9612198    4.4596818  0.00    0.0009492   -0.0007057   -0.0012148
 H    5.9704079   14.6138747    4.1053155  0.00   -0.0010173   -0.0002887    0.0008631
 H    6.8727919   13.2518996    3.4451939  0.00    0.0009503    0.0000191    0.0005763
 C    4.9913275   12.1891933    1.8537938  0.00   -0.0012390    0.0005098    0.0009508
 H    4.5990010   11.4592420    2.5663073  0.00    0.0019801    0.0014438   -0.0001853
 H    6.0147922   11.8937628    1.6144746  0.00    0.0017884    0.0019026    0.0007633
 H    4.4081909   12.1228087    0.9318388  0.00    0.0014692    0.0010608    0.0007316
 C   -3.1459026   17.9919824    4.2663856  0.00   -0.0030143   -0.0024104   -0.0033628
 C   -3.9162673   18.1686094    5.4401882  0.00   -0.0006316   -0.0030117    0.0031526
 C   -4.8097676   19.2341162    5.4965163  0.00    0.0012155   -0.0016373   -0.0016185
 H   -5.4088697   19.3747164    6.3881763  0.00   -0.0028321   -0.0005275    0.0009062
 C   -4.9548424   20.1096730    4.4391125  0.00    0.0003586    0.0036097   -0.0003129
 H   -5.6605199   20.9299186    4.5043404  0.00    0.0032921   -0.0009206    0.0001965
 C   -4.1976766   19.9375708    3.2945770  0.00    0.0018207   -0.0007980    0.0047255
 H   -4.3234490   20.6301298    2.4724547  0.00    0.0008747    0.0014719   -0.0018227
 C   -3.2893819   18.8913827    3.1770071  0.00    0.0032893   -0.0025623   -0.0006363
 C   -2.5433612   18.7113475    1.8689967  0.00   -0.0042259    0.0035334    0.0014152
 H   -1.6072169   18.1744803    2.0791530  0.00    0.0022444   -0.0002410    0.0009539
 C   -3.3433397   17.8381473    0.8986870  0.00    0.0045260   -0.0015459   -0.0006368
 H   -3.5572707   16.8543953    1.3149950  0.00    0.0012711   -0.0004864   -0.0004114
 H   -2.7887741   17.7007839   -0.0327122  0.00   -0.0017030    0.0017606    0.0003981
 H   -4.2936270   18.3209347    0.6560667  0.00   -0.0010224    0.0015248    0.0009751
 C   -2.1899878   20.0322436    1.1926643  0.00    0.0039098   -0.0028647   -0.0006954
 H   -3.0790594   20.5326564    0.8039514  0.00    0.0003380   -0.0016603   -0.0005554
 H   -1.5347000   19.8507438    0.3395063  0.00    0.0006951   -0.0014632    0.0011418
 H   -1.6866752   20.7279092    1.8680686  0.00    0.0011511    0.0013499    0.0015940
 C   -3.8479906   17.2218755    6.6180661  0.00   -0.0009684    0.0004941   -0.0023350
 H   -2.9756110   16.5801281    6.4791706  0.00   -0.0009244   -0.0004882   -0.0002525
 C   -5.0788231   16.3154618    6.6664200  0.00   -0.0005727   -0.0001296    0.0004359
 H   -5.9926795   16.9043497    6.7798376  0.00    0.0000551    0.0000153   -0.0017850
 H   -5.0135464   15.6344677    7.5184464  0.00   -0.0012903   -0.0000950   -0.0011853
 H   -5.1710003   15.7116422    5.7635993  0.00   -0.0013551   -0.0013217   -0.0023664
 C   -3.6996317   17.9608338    7.9474715  0.00   -0.0009259   -0.0011611    0.0012385
 H   -2.8923046   18.6972039    7.9272167  0.00    0.0015248    0.0011945    0.0026014
 H   -3.4919012   17.2526927    8.7529189  0.00   -0.0014199   -0.0030039   -0.0013013
 H   -4.6154765   18.4914863    8.2174808  0.00    0.0018584   -0.0013273   -0.0009262
 C    2.7113457   18.1642375    4.2791131  0.00    0.0026458   -0.0018929   -0.0043318
 C    2.8197052   19.0192465    3.1524794  0.00   -0.0006490   -0.0018272    0.0025418
 C    3.6315604   20.1441046    3.2458063  0.00   -0.0006172    0.0009251    0.0029341
 H    3.7325622   20.8008288    2.3903469  0.00   -0.0020678    0.0007251   -0.0008744
 C    4.3224195   20.4378927    4.4070651  0.00   -0.0023658    0.0023888   -0.0016850
 H    4.9493544   21.3205571    4.4573375  0.00   -0.0013389    0.0004452   -0.0005798
 C    4.2181652   19.5994324    5.5000663  0.00   -0.0011063   -0.0027025   -0.0001357
 H    4.7731024   19.8316958    6.4011223  0.00    0.0017993   -0.0012094   -0.0008698
 C    3.4296846   18.4532720    5.4642985  0.00    0.0028292    0.0015423    0.0010992
 C    3.4317614   17.5308036    6.6632052  0.00   -0.0020907   -0.0030482   -0.0007298
 H    2.6107144   16.8217194    6.5381749  0.00    0.0017564    0.0018472   -0.0005371
 C    4.7275491   16.7193271    6.7172387  0.00    0.0017204    0.0012649   -0.0005515
 H    4.8634303   16.1165428    5.8187531  0.00    0.0005930   -0.0007784   -0.0015262
 H    4.7148558   16.0427236    7.5751085  0.00    0.0014536    0.0002347   -0.0004262
 H    5.5944936   17.3767158    6.8227935  0.00   -0.0001743   -0.0006232   -0.0022568
 C    3.2320952   18.2757904    7.9814916  0.00    0.0014678    0.0022542   -0.0002442
 H    4.1012573   18.8866180    8.2361246  0.00   -0.0029054   -0.0022233   -0.0008270
 H    3.0920954   17.5649500    8.7990070  0.00    0.0004891   -0.0027593   -0.0006397
 H    2.3638997   18.9395790    7.9583411  0.00   -0.0011138    0.0008457    0.0012246
 C    2.1397913   18.7163777    1.8333674  0.00    0.0013729    0.0026593   -0.0000767
 H    1.3635502   17.9629733    2.0147944  0.00   -0.0014163   -0.0007865    0.0012357
 C    1.4765241   19.9449277    1.2183845  0.00   -0.0010057   -0.0028512   -0.0018718
 H    0.7936532   20.4403325    1.9132046  0.00   -0.0015440    0.0009962    0.0011345
 H    0.9096936   19.6604891    0.3300729  0.00    0.0000196   -0.0017366   -0.0008695
 H    2.2141285   20.6849417    0.9019370  0.00   -0.0014092   -0.0011372   -0.0007568
 C    3.1299154   18.1043974    0.8399952  0.00   -0.0021339   -0.0011646   -0.0004588
 H    3.9360632   18.8091704    0.6205824  0.00    0.0001208    0.0017157    0.0006123
 H    2.6261756   17.8668891   -0.1000214  0.00    0.0012743    0.0002454    0.0001867
 H    3.5746079   17.1873394    1.2268994  0.00   -0.0014546   -0.0005876    0.0010877
 C   -0.1922110   16.9665946    7.1195639  0.00   -0.0000745    0.0019454    0.0000974
 H    0.6616766   17.5133523    7.5569866  0.00   -0.0013966    0.0029044   -0.0005538
 H   -1.0956230   17.4385929    7.5431408  0.00    0.0005879    0.0035702   -0.0003396
 C    1.4368592   14.3384390    7.3133314  0.00   -0.0001503    0.0013378   -0.0015742
 H    1.5410427   14.2876336    6.2261986  0.00    0.0032288   -0.0018049   -0.0000952
 H    1.4190764   13.3116541    7.6907451  0.00    0.0004628    0.0020520    0.0007390
 H    2.3359276   14.8122898    7.7148510  0.00    0.0004915   -0.0005721   -0.0005645
 C   -0.1351470   15.3381138    9.7261760  0.00   -0.0001518    0.0007672    0.0002722
 H    0.7256406   15.9000581   10.0987519  0.00    0.0006131   -0.0010956   -0.0022199
 H   -0.0996497   14.3419618   10.1761682  0.00    0.0000231   -0.0013142    0.0018543
 H   -1.0370074   15.8351597   10.0937403  0.00   -0.0007132   -0.0014349   -0.0021829
 C   -1.6097168   14.2197153    7.3029292  0.00    0.0005955    0.0012174   -0.0012272
 H   -2.5451501   14.6189229    7.7025666  0.00    0.0005038   -0.0004157   -0.0004218
 H   -1.5117316   13.1961195    7.6766761  0.00   -0.0012942    0.0013878    0.0006747
 H   -1.7055793   14.1649952    6.2152227  0.00   -0.0022118   -0.0017487    0.0004136
129
 Energy =   -2867.2896201320
 O   -0.1337229   15.5492707    3.8311142  0.00   -0.0003133    0.0005519    0.0022704
Th   -0.2011872   17.7582358    4.8653327  0.00    0.0023139    0.0005224   -0.0038095
Si   -0.1253234   15.2296417    7.8565597  0.00   -0.0000008    0.0009890   -0.0000010
 N   -2.1726571   16.9536126    4.1841247  0.00    0.0000911   -0.0016332    0.0020913
 N    1.8194282   17.0548653    4.2233817  0.00    0.0003043    0.0012112   -0.0001248
 C   -2.5898498   13.1359675    2.5928351  0.00   -0.0001706    0.0005540    0.0012577
 H   -2.6486261   12.1384951    2.1814277  0.00   -0.0033005    0.0026449    0.0018089
 C   -3.7576443   13.8629555    2.7802592  0.00    0.0009076    0.0019483   -0.0013111
 C   -3.6666963   15.1552757    3.3126642  0.00   -0.0044962   -0.0007213    0.0015360
 H   -4.5560715   15.7576551    3.4516981  0.00   -0.0041919    0.0017334    0.0002115
 C   -2.4381129   15.6950808    3.6537669  0.00    0.0010079   -0.0002133   -0.0009151
 C    2.1593170   15.8251990    3.6705861  0.00   -0.0013545   -0.0026148    0.0002535
 C    3.4183550   15.3641564    3.3259335  0.00    0.0009592    0.0027816   -0.0001549
 H    4.2706751   16.0155585    3.4768907  0.00    0.0021939    0.0002430    0.0006241
 C    3.5866581   14.0826362    2.7860860  0.00   -0.0000612    0.0034885    0.0012078
 C    2.4644507   13.2880728    2.5939838  0.00   -0.0032700    0.0009910    0.0018898
 H    2.5833383   12.2974187    2.1792342  0.00    0.0038322    0.0011828    0.0007797
 C   -0.0518974   12.8333921    2.7031475  0.00   -0.0008537   -0.0001667    0.0014154
 C   -1.3251062   13.6413776    2.9158560  0.00    0.0009695   -0.0019508    0.0003558
 C   -1.3066917   14.9043986    3.4487841  0.00    0.0027882    0.0002227    0.0019646
 C    1.0758636   14.9728530    3.4538463  0.00    0.0031768    0.0013615    0.0014645
 C    1.1707081   13.7153135    2.9166898  0.00    0.0001913   -0.0017223    0.0006549
 C   -0.0176151   11.6739502    3.7128898  0.00   -0.0007757    0.0019461   -0.0003668
 H   -0.0295522   12.0438839    4.7400201  0.00    0.0004639    0.0012135   -0.0019004
 H    0.8853461   11.0753565    3.5757811  0.00    0.0001198    0.0012167    0.0002620
 H   -0.8829404   11.0222731    3.5746900  0.00    0.0005889    0.0013412    0.0003195
 C   -0.0349919   12.2665766    1.2772484  0.00   -0.0008461    0.0017764    0.0013073
 H   -0.8929882   11.6153665    1.1073991  0.00    0.0004045    0.0017738    0.0004746
 H    0.8603736   11.6679034    1.1075048  0.00    0.0005636    0.0012265    0.0004495
 H   -0.0590070   13.0668712    0.5353777  0.00    0.0001326   -0.0019368    0.0008468
 C   -5.1299947   13.3006508    2.4124109  0.00    0.0002784    0.0007179    0.0000523
 C   -6.0245505   13.2791194    3.6571307  0.00   -0.0007964    0.0000250   -0.0007742
 H   -5.5834993   12.6692346    4.4490626  0.00   -0.0002364   -0.0012592   -0.0004382
 H   -7.0017865   12.8581316    3.4082213  0.00   -0.0005968    0.0004351    0.0014340
 H   -6.1916579   14.2821316    4.0553351  0.00    0.0010930   -0.0007780    0.0012174
 C   -5.7737676   14.1919357    1.3434444  0.00    0.0000492    0.0001066    0.0005016
 H   -5.9157572   15.2150944    1.6983273  0.00    0.0014921    0.0004611   -0.0017395
 H   -6.7559138   13.7985001    1.0695080  0.00    0.0010366    0.0010762   -0.0002726
 H   -5.1597243   14.2285718    0.4403004  0.00   -0.0003163   -0.0006059   -0.0001383
 C   -5.0437982   11.8794852    1.8615873  0.00   -0.0001071    0.0003079    0.0004205
 H   -4.4492653   11.8312957    0.9458364  0.00   -0.0017352    0.0006920    0.0003205
 H   -6.0465845   11.5228976    1.6180735  0.00   -0.0021600    0.0020831    0.0006140
 H   -4.6175873   11.1845777    2.5895080  0.00   -0.0018211    0.0006342    0.0002907
 C    4.9920759   13.6024877    2.4265542  0.00   -0.0011717    0.0004600    0.0003336
 C    5.6014809   14.5443752    1.3813936  0.00   -0.0004616    0.0005727    0.0005975
 H    6.6047885   14.2053411    1.1117026  0.00   -0.0007423    0.0007835   -0.0004094
 H    5.6901496   15.5663941    1.7564838  0.00   -0.0017493   -0.0003385   -0.0019599
 H    4.9961338   14.5674333    0.4719651  0.00    0.0002040   -0.0004434   -0.0008562
 C    5.8693636   13.6095612    3.6839096  0.00    0.0006250    0.0003214    0.0000515
 H    5.4533719   12.9605872    4.4580642  0.00    0.0002900   -0.0018423   -0.0001897
 H    5.9713762   14.6130389    4.1027314  0.00   -0.0013249   -0.0013999    0.0010852
 H    6.8728516   13.2506118    3.4423304  0.00    0.0009141    0.0000689    0.0013377
 C    4.9908103   12.1880926    1.8520761  0.00    0.0010663    0.0012115    0.0006028
 H    4.5989981   11.4580612    2.5646903  0.00    0.0013107    0.0006425    0.0004243
 H    6.0141611   11.8926920    1.6120558  0.00    0.0013258    0.0021551    0.0009047
 H    4.4071179   12.1220317    0.9305026  0.00    0.0011590    0.0005325    0.0000422
 C   -3.1437935   17.9927341    4.2663793  0.00    0.0022730   -0.0055246    0.0003363
 C   -3.9141787   18.1686732    5.4405585  0.00    0.0001375    0.0004960    0.0012060
 C   -4.8031165   19.2378241    5.4997857  0.00   -0.0003432    0.0015042   -0.0005556
 H   -5.4021528   19.3783961    6.3916848  0.00   -0.0009806   -0.0014767   -0.0018653
 C   -4.9430030   20.1181479    4.4455414  0.00   -0.0012813   -0.0016804    0.0005246
 H   -5.6441694   20.9418546    4.5135708  0.00    0.0009103   -0.0005409   -0.0004728
 C   -4.1862375   19.9464032    3.3007453  0.00    0.0013684   -0.0023159    0.0004603
 H   -4.3083573   20.6426143    2.4810594  0.00    0.0004444   -0.0005436   -0.0007250
 C   -3.2828636   18.8961995    3.1796197  0.00   -0.0020852    0.0007879   -0.0008579
 C   -2.5381256   18.7162438    1.8707423  0.00   -0.0001461    0.0001328   -0.0003668
 H   -1.5982004   18.1852729    2.0810213  0.00   -0.0016432    0.0001629   -0.0000509
 C   -3.3345550   17.8350692    0.9045061  0.00    0.0018091    0.0004119    0.0001898
 H   -3.5416275   16.8511213    1.3238341  0.00    0.0000567    0.0001908   -0.0008172
 H   -2.7808386   17.6984635   -0.0273855  0.00   -0.0004694    0.0016688   -0.0011028
 H   -4.2883646   18.3112548    0.6619853  0.00    0.0018137    0.0017877    0.0022381
 C   -2.1928170   20.0363206    1.1885073  0.00    0.0029684   -0.0004496    0.0035113
 H   -3.0850250   20.5300151    0.7979321  0.00    0.0020582   -0.0023994    0.0008243
 H   -1.5370764   19.8551102    0.3357890  0.00    0.0018836   -0.0029956   -0.0001562
 H   -1.6929695   20.7378584    1.8605212  0.00    0.0011881   -0.0003345    0.0015006
 C   -3.8501584   17.2184935    6.6159013  0.00   -0.0022695    0.0021417    0.0012015
 H   -2.9785229   16.5756061    6.4774741  0.00   -0.0003780   -0.0004319   -0.0010275
 C   -5.0828884   16.3141528    6.6590946  0.00    0.0010156   -0.0014171   -0.0000307
 H   -5.9957515   16.9044268    6.7733569  0.00    0.0000772   -0.0005630   -0.0017155
 H   -5.0197266   15.6298096    7.5085853  0.00   -0.0017525    0.0011149    0.0001107
 H   -5.1751389   15.7132769    5.7542100  0.00   -0.0005486    0.0001846   -0.0016180
 C   -3.7037967   17.9533069    7.9481404  0.00    0.0018139   -0.0012094   -0.0006753
 H   -2.8956091   18.6888636    7.9321011  0.00    0.0009798    0.0010719    0.0009455
 H   -3.4979292   17.2425024    8.7516768  0.00   -0.0017163   -0.0040115   -0.0010413
 H   -4.6194040   18.4840473    8.2187296  0.00    0.0011326   -0.0020802   -0.0021335
 C    2.7091026   18.1645348    4.2785567  0.00   -0.0002516   -0.0022906    0.0053472
 C    2.8134435   19.0216990    3.1532551  0.00    0.0004666   -0.0022154   -0.0000759
 C    3.6205565   20.1498594    3.2483586  0.00    0.0001356    0.0013195   -0.0011932
 H    3.7184820   20.8085395    2.3939186  0.00   -0.0015149   -0.0004382    0.0006651
 C    4.3104663   20.4447131    4.4098092  0.00    0.0009291   -0.0011367    0.0013477
 H    4.9331694   21.3302018    4.4614818  0.00    0.0006904    0.0011993   -0.0012888
 C    4.2108041   19.6038235    5.5015115  0.00   -0.0005386   -0.0015552   -0.0019956
 H    4.7653030   19.8370880    6.4027020  0.00    0.0009386   -0.0018805   -0.0028230
 C    3.4270409   18.4544811    5.4641842  0.00   -0.0006182    0.0002799   -0.0030135
 C    3.4335107   17.5302670    6.6618044  0.00   -0.0004010    0.0004234    0.0000439
 H    2.6135494   16.8199711    6.5377762  0.00    0.0004281    0.0008423   -0.0005552
 C    4.7311314   16.7211614    6.7117923  0.00   -0.0012385   -0.0018269   -0.0006772
 H    4.8672595   16.1207079    5.8116727  0.00   -0.0002567    0.0008959   -0.0001445
 H    4.7204003   16.0419684    7.5677122  0.00    0.0020925    0.0020007   -0.0002904
 H    5.5968433   17.3799395    6.8181564  0.00    0.0006283   -0.0005355   -0.0022688
 C    3.2358296   18.2730561    7.9819449  0.00   -0.0022647   -0.0015271   -0.0007968
 H    4.1044345   18.8845940    8.2364050  0.00   -0.0012143   -0.0021709   -0.0016422
 H    3.0980910   17.5606201    8.7985391  0.00    0.0011541   -0.0025595   -0.0016309
 H    2.3665825   18.9354990    7.9620235  0.00   -0.0011798    0.0014945   -0.0000975
 C    2.1353011   18.7173104    1.8333442  0.00    0.0000708   -0.0007930    0.0014136
 H    1.3556636   17.9672849    2.0157161  0.00    0.0012325    0.0004535   -0.0000589
 C    1.4779017   19.9457096    1.2116669  0.00   -0.0013945   -0.0010309    0.0013938
 H    0.7960744   20.4472962    1.9032211  0.00   -0.0003196   -0.0004472    0.0003268
 H    0.9110965   19.6593056    0.3240458  0.00   -0.0005956   -0.0024811   -0.0016920
 H    2.2189434   20.6811024    0.8920669  0.00   -0.0029995   -0.0016778    0.0003938
 C    3.1255314   18.0977949    0.8445300  0.00   -0.0010203   -0.0002426    0.0005719
 H    3.9349488   18.7988147    0.6246154  0.00   -0.0014543    0.0012242    0.0014650
 H    2.6231035   17.8590645   -0.0958098  0.00    0.0005585    0.0003106   -0.0007647
 H    3.5655851   17.1801936    1.2355793  0.00   -0.0012531    0.0014174   -0.0002200
 C   -0.1925715   16.9676592    7.1202711  0.00    0.0004696    0.0018659    0.0000993
 H    0.6611783   17.5152713    7.5570094  0.00   -0.0012491    0.0023097   -0.0011003
 H   -1.0959400   17.4403503    7.5432792  0.00   -0.0000215    0.0030984   -0.0007443
 C    1.4370168   14.3400409    7.3186867  0.00    0.0000431    0.0025906   -0.0022643
 H    1.5409241   14.2868748    6.2316125  0.00    0.0033507   -0.0018225    0.0006901
 H    1.4195696   13.3141581    7.6985759  0.00    0.0007080    0.0020784    0.0002299
 H    2.3359396   14.8153440    7.7189312  0.00   -0.0002043   -0.0015453   -0.0004268
 C   -0.1357267   15.3437478    9.7296372  0.00    0.0001625   -0.0012738    0.0006410
 H    0.7247231   15.9066765   10.1013798  0.00    0.0016542   -0.0008660   -0.0022668
 H   -0.1002361   14.3486034   10.1820704  0.00   -0.0000677   -0.0001759    0.0004354
 H   -1.0376221   15.8415612   10.0959233  0.00   -0.0019527   -0.0011991   -0.0019302
 C   -1.6093646   14.2203338    7.3080673  0.00    0.0012417    0.0012458   -0.0006897
 H   -2.5450516   14.6201165    7.7066126  0.00    0.0005889   -0.0007823   -0.0002697
 H   -1.5108672   13.1976341    7.6842486  0.00   -0.0018115    0.0018143    0.0000111
 H   -1.7047745   14.1631456    6.2204481  0.00   -0.0024859   -0.0014330    0.0001792
129
 Energy =   -2867.2896245420
 O   -0.1337148   15.5493879    3.8315644  0.00    0.0010443    0.0002744    0.0008312
Th   -0.2011078   17.7584681    4.8651792  0.00    0.0014791    0.0009852   -0.0019539
Si   -0.1252881   15.2294934    7.8558165  0.00    0.0001150    0.0011458   -0.0001199
 N   -2.1726948   16.9537378    4.1843474  0.00   -0.0007098   -0.0017187    0.0010526
 N    1.8194654   17.0551781    4.2233785  0.00    0.0003509   -0.0005477    0.0008143
 C   -2.5899448   13.1361877    2.5929970  0.00    0.0023261    0.0030636    0.0018840
 H   -2.6489642   12.1388013    2.1817033  0.00   -0.0028347    0.0010895    0.0009997
 C   -3.7576120   13.8632722    2.7804058  0.00   -0.0015406    0.0020466   -0.0000610
 C   -3.6668942   15.1555574    3.3129861  0.00   -0.0011929   -0.0016925   -0.0001107
 H   -4.5563097   15.7579366    3.4520044  0.00   -0.0038600    0.0016333    0.0002754
 C   -2.4381578   15.6952785    3.6538921  0.00    0.0015865   -0.0008778    0.0004542
 C    2.1592990   15.8254466    3.6707970  0.00    0.0010651   -0.0015668   -0.0000719
 C    3.4184320   15.3645458    3.3261930  0.00   -0.0005160    0.0020042   -0.0003994
 H    4.2707862   16.0159011    3.4771503  0.00    0.0019444    0.0003781    0.0005960
 C    3.5866791   14.0830392    2.7863616  0.00   -0.0010347    0.0018745    0.0006995
 C    2.4644401   13.2883632    2.5942142  0.00   -0.0006295    0.0017541    0.0016782
 H    2.5836726   12.2977224    2.1795564  0.00    0.0032037    0.0009286    0.0005150
 C   -0.0519107   12.8336355    2.7032102  0.00   -0.0004657   -0.0008588    0.0003520
 C   -1.3250751   13.6415710    2.9159625  0.00   -0.0007604   -0.0018559    0.0009354
 C   -1.3066089   14.9045540    3.4490074  0.00    0.0000565    0.0003966    0.0011436
 C    1.0759536   14.9730782    3.4540561  0.00    0.0007023   -0.0002133    0.0013910
 C    1.1707025   13.7155069    2.9168127  0.00    0.0000565    0.0002691    0.0017167
 C   -0.0176014   11.6742814    3.7130039  0.00    0.0003005    0.0009434   -0.0002679
 H   -0.0294761   12.0442944    4.7400598  0.00    0.0003689    0.0016652   -0.0012728
 H    0.8854089   11.0756497    3.5760997  0.00   -0.0003661    0.0015888   -0.0000915
 H   -0.8828661   11.0225250    3.5750895  0.00    0.0001091    0.0011828   -0.0002204
 C   -0.0349872   12.2668902    1.2771660  0.00    0.0004353    0.0012663    0.0020445
 H   -0.8929183   11.6157221    1.1071370  0.00   -0.0002693    0.0012642    0.0008474
 H    0.8604290   11.6682639    1.1072568  0.00    0.0000696    0.0014279    0.0010692
 H   -0.0589531   13.0670527    0.5352131  0.00    0.0000004   -0.0008412    0.0009738
 C   -5.1299797   13.3009733    2.4126929  0.00    0.0006725    0.0000805   -0.0003225
 C   -6.0244160   13.2793035    3.6574354  0.00   -0.0007733   -0.0003366   -0.0003425
 H   -5.5833045   12.6690963    4.4491176  0.00   -0.0004383   -0.0007064   -0.0003901
 H   -7.0016634   12.8583693    3.4085182  0.00   -0.0007985    0.0005099    0.0013879
 H   -6.1914194   14.2822089    4.0559206  0.00    0.0009480   -0.0005242    0.0012819
 C   -5.7737223   14.1920819    1.3436266  0.00   -0.0002536    0.0000126    0.0000550
 H   -5.9156445   15.2153699    1.6981110  0.00    0.0015212    0.0007289   -0.0012683
 H   -6.7558842   13.7986188    1.0698562  0.00    0.0006908    0.0010548   -0.0004419
 H   -5.1597724   14.2283085    0.4404065  0.00   -0.0001477   -0.0002526   -0.0001189
 C   -5.0439485   11.8797934    1.8619375  0.00   -0.0014524    0.0008391    0.0000848
 H   -4.4496303   11.8315861    0.9460901  0.00   -0.0012439    0.0003335    0.0001029
 H   -6.0469018   11.5234740    1.6186102  0.00   -0.0015876    0.0018317    0.0004215
 H   -4.6178874   11.1848777    2.5898641  0.00   -0.0012611    0.0001131    0.0005373
 C    4.9920618   13.6028299    2.4268254  0.00   -0.0009179    0.0002354    0.0002650
 C    5.6014570   14.5445751    1.3815487  0.00    0.0002878   -0.0001434   -0.0001518
 H    6.6048195   14.2055265    1.1119653  0.00   -0.0010813    0.0009043   -0.0002409
 H    5.6900593   15.5666922    1.7562513  0.00   -0.0017884    0.0002975   -0.0013580
 H    4.9962475   14.5672505    0.4720035  0.00    0.0000267   -0.0001557   -0.0005342
 C    5.8692459   13.6096918    3.6842265  0.00    0.0011433   -0.0004629   -0.0000697
 H    5.4531960   12.9603620    4.4580797  0.00    0.0004328   -0.0013003   -0.0001103
 H    5.9711468   14.6130067    4.1033669  0.00   -0.0011429   -0.0008289    0.0012267
 H    6.8727729   13.2507739    3.4426318  0.00    0.0005430    0.0003907    0.0014243
 C    4.9909580   12.1884410    1.8523809  0.00    0.0011993    0.0012950    0.0003176
 H    4.5992436   11.4583844    2.5650011  0.00    0.0009998    0.0004198    0.0004122
 H    6.0144093   11.8932298    1.6125245  0.00    0.0011111    0.0020098    0.0007317
 H    4.4074327   12.1223443    0.9307032  0.00    0.0009560    0.0003129    0.0001777
 C   -3.1441098   17.9925856    4.2663882  0.00    0.0006985   -0.0062838   -0.0000682
 C   -3.9146243   18.1685684    5.4405417  0.00   -0.0013849    0.0020676   -0.0003244
 C   -4.8042229   19.2373051    5.4993624  0.00    0.0010448   -0.0008132    0.0005291
 H   -5.4035641   19.3778145    6.3911049  0.00   -0.0001804   -0.0015764   -0.0020264
 C   -4.9444460   20.1170875    4.4448284  0.00    0.0014498   -0.0005398   -0.0004932
 H   -5.6458158   20.9404904    4.5125311  0.00   -0.0001764    0.0011232   -0.0001931
 C   -4.1875153   19.9453153    3.3000944  0.00    0.0006498    0.0005922    0.0001803
 H   -4.3101998   20.6410315    2.4799538  0.00    0.0013103   -0.0007216    0.0008618
 C   -3.2836233   18.8956326    3.1793056  0.00   -0.0014001    0.0004930   -0.0002694
 C   -2.5387337   18.7157081    1.8705567  0.00    0.0016955   -0.0007551    0.0005046
 H   -1.5992383   18.1840738    2.0809752  0.00   -0.0010148    0.0001702    0.0001144
 C   -3.3354196   17.8354217    0.9038665  0.00   -0.0008242    0.0016371    0.0002965
 H   -3.5433053   16.8515083    1.3227351  0.00    0.0006095   -0.0008601   -0.0000048
 H   -2.7819295   17.6988962   -0.0280869  0.00    0.0005181    0.0015353   -0.0018595
 H   -4.2889277   18.3124842    0.6615553  0.00    0.0022342    0.0005414    0.0021811
 C   -2.1921651   20.0356401    1.1889711  0.00    0.0008555    0.0004305    0.0015742
 H   -3.0839217   20.5301441    0.7983699  0.00    0.0019493   -0.0026950    0.0007736
 H   -1.5363947   19.8542842    0.3362876  0.00    0.0018390   -0.0029060    0.0002299
 H   -1.6920822   20.7365329    1.8613833  0.00    0.0015903    0.0008187    0.0018312
 C   -3.8500996   17.2189026    6.6161045  0.00   -0.0008164   -0.0007318    0.0009302
 H   -2.9782906   16.5761704    6.4775530  0.00   -0.0009946   -0.0001374   -0.0008401
 C   -5.0825373   16.3142074    6.6597156  0.00   -0.0003686    0.0001169   -0.0009214
 H   -5.9954724   16.9044879    6.7736692  0.00    0.0003247   -0.0011708   -0.0013617
 H   -5.0192598   15.6302766    7.5094390  0.00   -0.0018346    0.0002402    0.0009052
 H   -5.1748407   15.7129085    5.7550808  0.00   -0.0000792    0.0008520   -0.0016041
 C   -3.7033536   17.9539158    7.9481634  0.00    0.0020888   -0.0009250   -0.0001891
 H   -2.8950961   18.6894812    7.9320277  0.00    0.0004854    0.0003394    0.0006228
 H   -3.4973360   17.2431383    8.7516844  0.00   -0.0018981   -0.0040308   -0.0010362
 H   -4.6187914   18.4847741    8.2189284  0.00    0.0003870   -0.0018759   -0.0020669
 C    2.7094220   18.1645372    4.2786773  0.00    0.0017183   -0.0013544    0.0011912
 C    2.8142141   19.0214150    3.1531363  0.00    0.0000060   -0.0014114    0.0015640
 C    3.6218151   20.1492853    3.2480711  0.00   -0.0009741    0.0002500   -0.0010145
 H    3.7200870   20.8076691    2.3934349  0.00   -0.0018483    0.0001338    0.0009207
 C    4.3119212   20.4438861    4.4094800  0.00    0.0002067    0.0010470    0.0009279
 H    4.9350442   21.3291248    4.4608878  0.00    0.0002112    0.0011582   -0.0008721
 C    4.2119747   19.6032044    5.5012877  0.00   -0.0001515   -0.0002313   -0.0018082
 H    4.7669070   19.8362706    6.4023154  0.00   -0.0000191   -0.0019985   -0.0031160
 C    3.4275494   18.4543724    5.4641145  0.00   -0.0006617   -0.0010755   -0.0011682
 C    3.4334404   17.5304042    6.6618620  0.00   -0.0011179   -0.0013127   -0.0006233
 H    2.6132841   16.8203636    6.5376283  0.00    0.0007524    0.0006250   -0.0002717
 C    4.7307876   16.7209011    6.7121381  0.00    0.0005326    0.0006912   -0.0008166
 H    4.8668789   16.1200988    5.8122918  0.00   -0.0005378    0.0008931   -0.0007849
 H    4.7200377   16.0421286    7.5682907  0.00    0.0020505    0.0010308    0.0005391
 H    5.5966725   17.3796358    6.8181281  0.00   -0.0003047   -0.0013803   -0.0019923
 C    3.2353907   18.2732001    7.9819181  0.00   -0.0025381   -0.0010775   -0.0001906
 H    4.1038402   18.8847655    8.2367160  0.00   -0.0006328   -0.0019465   -0.0018430
 H    3.0974182   17.5607113    8.7984295  0.00    0.0013706   -0.0025392   -0.0016567
 H    2.3661153   18.9356852    7.9619266  0.00   -0.0006543    0.0008412   -0.0003681
 C    2.1358450   18.7171796    1.8333387  0.00   -0.0007494   -0.0011370    0.0013322
 H    1.3566360   17.9667901    2.0157591  0.00    0.0005598    0.0002028   -0.0000216
 C    1.4775744   19.9453649    1.2123011  0.00   -0.0023868   -0.0007030    0.0012362
 H    0.7956267   20.4462040    1.9043206  0.00   -0.0001632   -0.0000303   -0.0002990
 H    0.9106880   19.6590737    0.3246402  0.00   -0.0001674   -0.0025799   -0.0009027
 H    2.2179908   20.6813727    0.8929380  0.00   -0.0016453   -0.0011603   -0.0001478
 C    3.1260089   18.0984817    0.8440385  0.00    0.0002373    0.0009148    0.0007431
 H    3.9350520   18.8000869    0.6243534  0.00   -0.0014895    0.0000933    0.0013226
 H    2.6236648   17.8599284   -0.0963551  0.00    0.0000319    0.0001718   -0.0010123
 H    3.5665250   17.1809946    1.2346568  0.00   -0.0009941    0.0004991    0.0003562
 C   -0.1925912   16.9679776    7.1203018  0.00    0.0003988    0.0014050   -0.0006765
 H    0.6610141   17.5156844    7.5570878  0.00   -0.0004896    0.0019858   -0.0009834
 H   -1.0958533   17.4408564    7.5433098  0.00   -0.0004228    0.0024134   -0.0007827
 C    1.4371254   14.3399630    7.3178145  0.00   -0.0000869    0.0012706    0.0000767
 H    1.5417208   14.2864879    6.2309150  0.00    0.0026419   -0.0015448   -0.0006586
 H    1.4193530   13.3141132    7.6979223  0.00    0.0007774    0.0026886   -0.0001467
 H    2.3359983   14.8149448    7.7184827  0.00   -0.0000256   -0.0009232   -0.0005023
 C   -0.1356303   15.3427932    9.7289980  0.00    0.0001038   -0.0013775    0.0006341
 H    0.7248332   15.9057289   10.1006508  0.00    0.0015994   -0.0005063   -0.0019229
 H   -0.1001432   14.3477164   10.1817043  0.00   -0.0000838    0.0004177   -0.0007665
 H   -1.0375534   15.8406059   10.0951929  0.00   -0.0018627   -0.0008850   -0.0016218
 C   -1.6094376   14.2203011    7.3072684  0.00    0.0008512    0.0006919    0.0006364
 H   -2.5449862   14.6200234    7.7061992  0.00    0.0004698   -0.0004608   -0.0004440
 H   -1.5109439   13.1976352    7.6835780  0.00   -0.0015636    0.0019491   -0.0000459
 H   -1.7054867   14.1628630    6.2197622  0.00   -0.0018522   -0.0011248   -0.0005806
129
 Energy =   -2867.2896311790
 O   -0.1336873   15.5489302    3.8334579  0.00    0.0035516   -0.0010460   -0.0036748
Th   -0.2007461   17.7588670    4.8641771  0.00   -0.0038840    0.0015378    0.0028905
Si   -0.1252024   15.2301058    7.8550788  0.00    0.0002796    0.0010563   -0.0012831
 N   -2.1728595   16.9536575    4.1843563  0.00    0.0034220   -0.0036597    0.0013859
 N    1.8195753   17.0554917    4.2230726  0.00   -0.0005947   -0.0023112    0.0044848
 C   -2.5900583   13.1364752    2.5934597  0.00    0.0020338    0.0031958    0.0004904
 H   -2.6501984   12.1391645    2.1824961  0.00   -0.0001436   -0.0014494   -0.0005919
 C   -3.7575451   13.8636355    2.7804943  0.00   -0.0055548    0.0032571    0.0039112
 C   -3.6675935   15.1556615    3.3136125  0.00    0.0049544    0.0050896   -0.0017361
 H   -4.5574296   15.7582333    3.4521895  0.00    0.0033208   -0.0023016   -0.0002350
 C   -2.4383393   15.6952709    3.6539909  0.00    0.0005897   -0.0051873    0.0027383
 C    2.1592323   15.8254437    3.6713070  0.00    0.0073476    0.0027228    0.0001024
 C    3.4186024   15.3649351    3.3268076  0.00    0.0010161    0.0021011   -0.0006980
 H    4.2713026   16.0161111    3.4775801  0.00   -0.0011590    0.0001134    0.0005446
 C    3.5866107   14.0836523    2.7870507  0.00   -0.0054736   -0.0042179   -0.0018304
 C    2.4641057   13.2887450    2.5948961  0.00    0.0111904   -0.0002748   -0.0006729
 H    2.5847262   12.2980275    2.1804686  0.00   -0.0000203    0.0028821    0.0009066
 C   -0.0520986   12.8335735    2.7034183  0.00    0.0020139   -0.0003612   -0.0026785
 C   -1.3250524   13.6415141    2.9163236  0.00   -0.0006728   -0.0002351    0.0023541
 C   -1.3064156   14.9043403    3.4497998  0.00   -0.0083412    0.0033195    0.0005983
 C    1.0762766   14.9731104    3.4548303  0.00   -0.0097973   -0.0040022    0.0018092
 C    1.1705472   13.7154852    2.9172409  0.00   -0.0006865    0.0028869    0.0033275
 C   -0.0176130   11.6747226    3.7137351  0.00    0.0014898   -0.0014854   -0.0006016
 H   -0.0293614   12.0454134    4.7404200  0.00    0.0002003    0.0036225    0.0007582
 H    0.8855806   11.0760383    3.5779190  0.00   -0.0012408    0.0018130   -0.0019346
 H   -0.8828826   11.0227537    3.5771678  0.00   -0.0002234    0.0007528   -0.0022722
 C   -0.0350268   12.2675169    1.2767845  0.00    0.0018335   -0.0023361    0.0029084
 H   -0.8929664   11.6166505    1.1057319  0.00   -0.0005357    0.0000506    0.0029192
 H    0.8605107   11.6691877    1.1058448  0.00   -0.0011354    0.0011623    0.0038543
 H   -0.0588931   13.0672868    0.5346036  0.00   -0.0003660    0.0037740    0.0021564
 C   -5.1297048   13.3014285    2.4127446  0.00   -0.0009544    0.0002565   -0.0007832
 C   -6.0242644   13.2793414    3.6572487  0.00    0.0014077   -0.0011083    0.0022184
 H   -5.5831870   12.6681988    4.4484182  0.00   -0.0013333    0.0013194   -0.0011928
 H   -7.0013650   12.8585053    3.4080125  0.00   -0.0025171    0.0007058    0.0010469
 H   -6.1909948   14.2820238    4.0563443  0.00    0.0004255   -0.0009267    0.0018430
 C   -5.7732701   14.1922902    1.3434650  0.00    0.0010141    0.0005108   -0.0016804
 H   -5.9151134   15.2158735    1.6970544  0.00    0.0017522    0.0006465   -0.0007160
 H   -6.7553030   13.7986589    1.0699160  0.00   -0.0012409    0.0008884   -0.0009121
 H   -5.1593366   14.2276754    0.4401183  0.00   -0.0006013    0.0001412    0.0007643
 C   -5.0441102   11.8804445    1.8619779  0.00   -0.0025727    0.0007293    0.0001618
 H   -4.4500099   11.8325078    0.9460606  0.00   -0.0005189   -0.0014693   -0.0005704
 H   -6.0474146   11.5250220    1.6189059  0.00   -0.0014839    0.0005506   -0.0005790
 H   -4.6186606   11.1853327    2.5900283  0.00   -0.0002113   -0.0005692   -0.0000491
 C    4.9917085   13.6032316    2.4269823  0.00    0.0009086    0.0024631    0.0005690
 C    5.6009364   14.5447845    1.3813032  0.00   -0.0012380   -0.0017685   -0.0017981
 H    6.6042496   14.2056833    1.1118020  0.00   -0.0000089    0.0008329    0.0000691
 H    5.6893565   15.5671334    1.7551084  0.00   -0.0018161    0.0015753   -0.0003716
 H    4.9958763   14.5666187    0.4714960  0.00    0.0003981    0.0000212    0.0014320
 C    5.8690846   13.6096130    3.6842258  0.00   -0.0010464   -0.0027918    0.0007736
 H    5.4530752   12.9593216    4.4575007  0.00    0.0012545    0.0007071   -0.0011394
 H    5.9705562   14.6125701    4.1040448  0.00   -0.0002202    0.0002727    0.0022462
 H    6.8725043   13.2507908    3.4423322  0.00    0.0018124    0.0009990    0.0013119
 C    4.9909929   12.1890323    1.8525467  0.00   -0.0016494    0.0000610    0.0002414
 H    4.5996539   11.4588278    2.5653260  0.00    0.0008715    0.0007682   -0.0010507
 H    6.0145905   11.8944324    1.6129525  0.00    0.0020795    0.0011357   -0.0001372
 H    4.4075790   12.1230191    0.9307326  0.00    0.0014352   -0.0008156    0.0011169
 C   -3.1441978   17.9920140    4.2664053  0.00   -0.0055862    0.0089696    0.0014369
 C   -3.9151937   18.1683830    5.4405054  0.00    0.0034403   -0.0012439   -0.0019687
 C   -4.8046567   19.2373045    5.4996923  0.00    0.0056074   -0.0045222   -0.0023840
 H   -5.4049570   19.3775133    6.3907110  0.00    0.0001193   -0.0015182    0.0004171
 C   -4.9433348   20.1174059    4.4455706  0.00    0.0002262    0.0037404   -0.0058500
 H   -5.6435603   20.9415415    4.5133509  0.00   -0.0035670    0.0030294   -0.0001811
 C   -4.1862566   19.9459396    3.3007588  0.00   -0.0034216    0.0011865    0.0011081
 H   -4.3090644   20.6414234    2.4804946  0.00    0.0015037    0.0011930    0.0012204
 C   -3.2831942   18.8960741    3.1795455  0.00    0.0044637   -0.0099025    0.0021497
 C   -2.5379836   18.7159878    1.8707890  0.00   -0.0013254   -0.0010614    0.0045668
 H   -1.5984776   18.1851227    2.0818130  0.00    0.0017828   -0.0030373    0.0001731
 C   -3.3343953   17.8352493    0.9045439  0.00    0.0002088   -0.0005340   -0.0013380
 H   -3.5414516   16.8510943    1.3232921  0.00    0.0001267   -0.0000108   -0.0002663
 H   -2.7816793   17.6991766   -0.0279897  0.00    0.0010462    0.0017116   -0.0007850
 H   -4.2880941   18.3119567    0.6628863  0.00   -0.0000584    0.0009740    0.0018360
 C   -2.1914945   20.0353339    1.1886771  0.00    0.0031726    0.0000112   -0.0030967
 H   -3.0830790   20.5289077    0.7969947  0.00   -0.0006380   -0.0003293    0.0002759
 H   -1.5352832   19.8533123    0.3362150  0.00    0.0004702   -0.0018128    0.0032319
 H   -1.6921850   20.7369407    1.8606843  0.00    0.0029106    0.0019199    0.0028438
 C   -3.8508162   17.2184716    6.6157520  0.00    0.0054005   -0.0040452   -0.0030427
 H   -2.9788592   16.5756829    6.4768290  0.00   -0.0034298    0.0014495   -0.0004744
 C   -5.0832996   16.3138101    6.6581703  0.00   -0.0022316    0.0010734    0.0005004
 H   -5.9959616   16.9047089    6.7715733  0.00   -0.0000114   -0.0027757   -0.0004017
 H   -5.0205838   15.6296657    7.5076933  0.00   -0.0026494    0.0002646    0.0021072
 H   -5.1758392   15.7124217    5.7535072  0.00    0.0020297    0.0030268   -0.0007549
 C   -3.7035650   17.9522992    7.9483671  0.00   -0.0002409   -0.0011980    0.0020951
 H   -2.8950036   18.6876955    7.9342881  0.00    0.0001330   -0.0017544   -0.0025230
 H   -3.4982740   17.2400808    8.7508279  0.00   -0.0018664   -0.0031067   -0.0003273
 H   -4.6186386   18.4833894    8.2198137  0.00   -0.0008659   -0.0019941   -0.0020474
 C    2.7096670   18.1645906    4.2788807  0.00   -0.0035283    0.0000819   -0.0097727
 C    2.8138533   19.0215176    3.1530657  0.00    0.0022133    0.0029207    0.0043851
 C    3.6206730   20.1499677    3.2482581  0.00   -0.0003585   -0.0042577    0.0026261
 H    3.7187304   20.8081416    2.3935347  0.00   -0.0016282    0.0018619    0.0010315
 C    4.3110157   20.4443372    4.4098914  0.00    0.0011306    0.0051737   -0.0080933
 H    4.9336688   21.3300047    4.4608028  0.00    0.0002713   -0.0000297    0.0003414
 C    4.2122790   19.6032974    5.5012631  0.00   -0.0003414   -0.0011771   -0.0020694
 H    4.7684293   19.8359712    6.4017530  0.00   -0.0022651   -0.0028939   -0.0033964
 C    3.4278177   18.4543989    5.4637372  0.00    0.0029658    0.0021765    0.0064498
 C    3.4338930   17.5305001    6.6612171  0.00   -0.0023985   -0.0044068    0.0014082
 H    2.6136769   16.8206662    6.5368695  0.00   -0.0002829   -0.0013583   -0.0007614
 C    4.7313245   16.7209360    6.7105984  0.00    0.0031538    0.0060168    0.0013282
 H    4.8673705   16.1201090    5.8109309  0.00   -0.0019742    0.0000196   -0.0031329
 H    4.7215488   16.0423110    7.5666971  0.00    0.0017544    0.0001500    0.0026653
 H    5.5972011   17.3801046    6.8156706  0.00   -0.0018506   -0.0031270   -0.0013302
 C    3.2353618   18.2721538    7.9819103  0.00    0.0017186    0.0024231   -0.0005958
 H    4.1033497   18.8842251    8.2374729  0.00   -0.0007838   -0.0030328   -0.0027091
 H    3.0982064   17.5587626    8.7975736  0.00    0.0007941   -0.0041910    0.0002008
 H    2.3657655   18.9343297    7.9635139  0.00   -0.0007925   -0.0004552   -0.0028704
 C    2.1354685   18.7169031    1.8334234  0.00    0.0002154    0.0016488   -0.0000057
 H    1.3562849   17.9670967    2.0165045  0.00   -0.0023262   -0.0040929   -0.0002976
 C    1.4769901   19.9445214    1.2114024  0.00   -0.0027219   -0.0027392   -0.0005029
 H    0.7954613   20.4459509    1.9032591  0.00   -0.0017343    0.0003295   -0.0002815
 H    0.9100935   19.6573763    0.3237744  0.00    0.0006496   -0.0019909    0.0027236
 H    2.2171166   20.6801687    0.8910284  0.00    0.0004131    0.0006477   -0.0000895
 C    3.1256848   18.0976787    0.8445962  0.00   -0.0017831    0.0025684   -0.0007941
 H    3.9347393   18.7994146    0.6253982  0.00   -0.0004562   -0.0013168    0.0012335
 H    2.6239909   17.8590908   -0.0962205  0.00   -0.0003024    0.0008414    0.0004113
 H    3.5652144   17.1801178    1.2357151  0.00    0.0018480   -0.0008867    0.0004487
 C   -0.1928160   16.9695220    7.1204019  0.00   -0.0019779    0.0004669   -0.0004246
 H    0.6601014   17.5179957    7.5572305  0.00    0.0032708    0.0008516   -0.0005833
 H   -1.0957329   17.4433697    7.5433023  0.00   -0.0009218   -0.0009051   -0.0020746
 C    1.4375667   14.3404183    7.3175817  0.00   -0.0009002   -0.0005312    0.0026665
 H    1.5445624   14.2846973    6.2311600  0.00    0.0003208   -0.0001853   -0.0026766
 H    1.4189955   13.3152418    7.6995058  0.00    0.0001167    0.0016712   -0.0005266
 H    2.3362160   14.8148548    7.7189954  0.00    0.0018359    0.0016824    0.0007877
 C   -0.1355771   15.3421200    9.7286730  0.00   -0.0005740    0.0022911   -0.0018212
 H    0.7249505   15.9057121   10.0992973  0.00    0.0003567   -0.0000714   -0.0004221
 H   -0.1001283   14.3479312   10.1832840  0.00    0.0000156   -0.0002826   -0.0039662
 H   -1.0378144   15.8404491   10.0936813  0.00    0.0001187   -0.0007398   -0.0005297
 C   -1.6094541   14.2204171    7.3072109  0.00   -0.0012342    0.0013702   -0.0003696
 H   -2.5446916   14.6201318    7.7068256  0.00    0.0000311    0.0009748   -0.0000576
 H   -1.5110041   13.1983740    7.6849619  0.00    0.0000779    0.0000515    0.0004285
 H   -1.7076279   14.1609813    6.2199619  0.00    0.0002754    0.0003811    0.0002361
129
 Energy =   -2867.2896353400
 O   -0.1335371   15.5485877    3.8333847  0.00   -0.0039374    0.0003921   -0.0015159
Th   -0.2007900   17.7585669    4.8643466  0.00   -0.0030084    0.0026129    0.0013387
Si   -0.1251886   15.2303403    7.8546275  0.00    0.0000644    0.0009709   -0.0014265
 N   -2.1727204   16.9532493    4.1845309  0.00    0.0003359    0.0003676    0.0013558
 N    1.8195398   17.0551983    4.2232302  0.00    0.0003733    0.0006201    0.0033361
 C   -2.5901050   13.1362630    2.5934553  0.00   -0.0009881    0.0044534    0.0016416
 H   -2.6504018   12.1389076    2.1824627  0.00   -0.0001076   -0.0006420   -0.0002909
 C   -3.7576574   13.8637053    2.7805885  0.00   -0.0018866   -0.0012383    0.0018872
 C   -3.6675418   15.1556053    3.3136600  0.00    0.0053212    0.0038155   -0.0009487
 H   -4.5572579   15.7581440    3.4523414  0.00    0.0022126   -0.0012589   -0.0001217
 C   -2.4382084   15.6949017    3.6541033  0.00   -0.0036299   -0.0000303    0.0026535
 C    2.1594121   15.8253069    3.6713757  0.00   -0.0034442   -0.0008945    0.0001665
 C    3.4185688   15.3650124    3.3268396  0.00    0.0005809   -0.0054739   -0.0028062
 H    4.2711117   16.0160372    3.4777348  0.00    0.0016766    0.0018060    0.0005525
 C    3.5864126   14.0834831    2.7870137  0.00    0.0039137    0.0016265    0.0001424
 C    2.4644973   13.2884159    2.5948891  0.00   -0.0025808    0.0038268    0.0022829
 H    2.5848802   12.2978826    2.1805308  0.00    0.0010444   -0.0004185   -0.0005007
 C   -0.0520205   12.8332786    2.7033242  0.00    0.0003831   -0.0000040    0.0000403
 C   -1.3251107   13.6411791    2.9164466  0.00   -0.0000196    0.0009533    0.0000571
 C   -1.3065699   14.9041024    3.4498385  0.00   -0.0006061   -0.0009295    0.0010919
 C    1.0760385   14.9727507    3.4549543  0.00    0.0031732   -0.0004360    0.0010761
 C    1.1705609   13.7152174    2.9173897  0.00    0.0034257   -0.0000771    0.0000343
 C   -0.0175800   11.6746003    3.7137845  0.00    0.0011386    0.0001916    0.0010039
 H   -0.0293063   12.0458200    4.7403391  0.00    0.0001796    0.0026003    0.0002038
 H    0.8855693   11.0759684    3.5782067  0.00    0.0000122    0.0008805   -0.0021837
 H   -0.8828331   11.0226337    3.5774823  0.00   -0.0008740    0.0002808   -0.0024949
 C   -0.0350034   12.2672994    1.2767631  0.00    0.0012469    0.0017102    0.0007320
 H   -0.8929813   11.6166428    1.1053789  0.00   -0.0010402   -0.0006654    0.0033266
 H    0.8605090   11.6691841    1.1055473  0.00    0.0000535    0.0001017    0.0038893
 H   -0.0589093   13.0675023    0.5348837  0.00   -0.0002031    0.0020474    0.0026580
 C   -5.1298067   13.3015660    2.4128368  0.00   -0.0008312   -0.0001693    0.0002313
 C   -6.0241858   13.2795126    3.6574245  0.00   -0.0020204    0.0008976    0.0003869
 H   -5.5833354   12.6682877    4.4483976  0.00    0.0000849   -0.0004774    0.0008417
 H   -7.0015142   12.8590508    3.4082116  0.00   -0.0015854    0.0006076    0.0011700
 H   -6.1907838   14.2821501    4.0567114  0.00    0.0007081   -0.0009222    0.0016133
 C   -5.7732058   14.1924118    1.3436199  0.00   -0.0014168    0.0015650   -0.0006718
 H   -5.9148879   15.2160517    1.6970820  0.00    0.0018550    0.0007726   -0.0005673
 H   -6.7553627   13.7990579    1.0701640  0.00   -0.0013588    0.0005137   -0.0009677
 H   -5.1594587   14.2276010    0.4403190  0.00    0.0009104    0.0002328   -0.0012085
 C   -5.0445437   11.8805771    1.8620970  0.00   -0.0022137    0.0001486   -0.0007439
 H   -4.4505262   11.8324599    0.9461268  0.00   -0.0003733   -0.0012783   -0.0005125
 H   -6.0479047   11.5252695    1.6189844  0.00   -0.0012688    0.0009095   -0.0002443
 H   -4.6191893   11.1853515    2.5900586  0.00   -0.0000285   -0.0007529    0.0003670
 C    4.9917773   13.6034503    2.4271319  0.00   -0.0004288   -0.0011616   -0.0003488
 C    5.6008780   14.5448598    1.3814539  0.00    0.0006526    0.0013712   -0.0001551
 H    6.6043342   14.2061643    1.1120375  0.00    0.0000829    0.0001144    0.0001191
 H    5.6891191   15.5673360    1.7551454  0.00   -0.0020060    0.0007340   -0.0006613
 H    4.9959839   14.5665487    0.4717083  0.00   -0.0009974   -0.0000147   -0.0005173
 C    5.8690212   13.6097033    3.6843843  0.00    0.0014984    0.0009011    0.0002514
 H    5.4531821   12.9593011    4.4574243  0.00    0.0001812   -0.0009092    0.0007069
 H    5.9703295   14.6126677    4.1044464  0.00   -0.0005157   -0.0008408    0.0017814
 H    6.8726800   13.2513133    3.4426015  0.00    0.0007629    0.0007833    0.0011105
 C    4.9913245   12.1891778    1.8526566  0.00    0.0016504    0.0005197   -0.0003569
 H    4.6001519   11.4589180    2.5653125  0.00    0.0000754   -0.0001841    0.0001230
 H    6.0150632   11.8945747    1.6130312  0.00    0.0001801    0.0021613    0.0005723
 H    4.4081077   12.1230148    0.9308197  0.00    0.0004834   -0.0006550    0.0001957
 C   -3.1442371   17.9919104    4.2663695  0.00   -0.0003430   -0.0002575    0.0048560
 C   -3.9150834   18.1682002    5.4405968  0.00    0.0019941    0.0002223   -0.0047630
 C   -4.8046996   19.2368911    5.4993729  0.00    0.0011027   -0.0000744   -0.0012623
 H   -5.4053900   19.3770630    6.3903454  0.00    0.0020168   -0.0017820   -0.0016432
 C   -4.9437296   20.1171096    4.4450606  0.00    0.0019789   -0.0009274    0.0002477
 H   -5.6441013   20.9410903    4.5130301  0.00   -0.0035335    0.0032276   -0.0006820
 C   -4.1865281   19.9455184    3.3005170  0.00    0.0003354   -0.0009039   -0.0021765
 H   -4.3093747   20.6410522    2.4801732  0.00    0.0022073   -0.0001894    0.0019116
 C   -3.2831561   18.8954625    3.1795059  0.00   -0.0012831    0.0006292    0.0001955
 C   -2.5380293   18.7158030    1.8707922  0.00    0.0039327   -0.0039779    0.0024423
 H   -1.5985545   18.1845546    2.0815385  0.00    0.0004154   -0.0023790    0.0005579
 C   -3.3345154   17.8356091    0.9041731  0.00   -0.0019021   -0.0011440    0.0003496
 H   -3.5419301   16.8513278    1.3225654  0.00    0.0006864    0.0005887   -0.0004671
 H   -2.7820873   17.6998038   -0.0285141  0.00    0.0016144    0.0017246   -0.0011824
 H   -4.2881405   18.3127583    0.6631227  0.00   -0.0003410    0.0005751    0.0009426
 C   -2.1907396   20.0350994    1.1888710  0.00    0.0001241    0.0025379    0.0018911
 H   -3.0822128   20.5290555    0.7973046  0.00    0.0000866   -0.0003884    0.0001292
 H   -1.5345192   19.8531416    0.3365698  0.00    0.0016852   -0.0024702    0.0019599
 H   -1.6914217   20.7363869    1.8614636  0.00    0.0019909    0.0007211    0.0005855
 C   -3.8506502   17.2185039    6.6159041  0.00    0.0021115   -0.0023821   -0.0000345
 H   -2.9787320   16.5760613    6.4771008  0.00   -0.0008951   -0.0014910   -0.0009198
 C   -5.0831883   16.3138659    6.6585311  0.00   -0.0001591   -0.0002817   -0.0011389
 H   -5.9957335   16.9047037    6.7717176  0.00   -0.0019131   -0.0011339   -0.0002564
 H   -5.0207604   15.6299374    7.5082363  0.00   -0.0020060   -0.0000623    0.0019004
 H   -5.1756470   15.7124069    5.7538676  0.00    0.0018743    0.0029708    0.0000190
 C   -3.7034180   17.9524128    7.9486206  0.00    0.0005622   -0.0014589   -0.0008212
 H   -2.8947448   18.6876931    7.9339845  0.00   -0.0001815   -0.0018773   -0.0009857
 H   -3.4983554   17.2402452    8.7511863  0.00   -0.0012055   -0.0030135   -0.0006972
 H   -4.6183866   18.4836149    8.2199424  0.00   -0.0016773   -0.0012993   -0.0019232
 C    2.7095680   18.1644714    4.2786989  0.00   -0.0003969   -0.0015569    0.0010899
 C    2.8138668   19.0214096    3.1532370  0.00    0.0008961    0.0038566   -0.0023016
 C    3.6209085   20.1497840    3.2482763  0.00   -0.0022619   -0.0014422   -0.0038325
 H    3.7188758   20.8082928    2.3935860  0.00   -0.0023993   -0.0007311    0.0025842
 C    4.3114284   20.4441570    4.4094468  0.00    0.0014312    0.0008367    0.0007112
 H    4.9341852   21.3296631    4.4606796  0.00    0.0006380    0.0007060   -0.0003575
 C    4.2126147   19.6028344    5.5008955  0.00    0.0019206    0.0041407   -0.0021008
 H    4.7689631   19.8353815    6.4012712  0.00   -0.0019694   -0.0024877   -0.0029591
 C    3.4279896   18.4542931    5.4638500  0.00   -0.0022431   -0.0022982   -0.0011403
 C    3.4337131   17.5303206    6.6613860  0.00    0.0023961    0.0019733    0.0012359
 H    2.6134779   16.8208708    6.5369614  0.00   -0.0024180   -0.0042247   -0.0009925
 C    4.7312672   16.7209953    6.7108457  0.00   -0.0007604   -0.0003664   -0.0001668
 H    4.8671516   16.1197938    5.8112069  0.00   -0.0021339    0.0014547   -0.0009159
 H    4.7216374   16.0425589    7.5671859  0.00    0.0017759    0.0005643    0.0016586
 H    5.5969880   17.3799409    6.8155685  0.00    0.0014602    0.0001100   -0.0008766
 C    3.2351663   18.2723680    7.9819552  0.00   -0.0010930   -0.0026558   -0.0007782
 H    4.1030729   18.8841455    8.2376857  0.00    0.0015379   -0.0009910   -0.0025762
 H    3.0977930   17.5588947    8.7977218  0.00    0.0005467   -0.0021511   -0.0015153
 H    2.3656206   18.9345851    7.9628618  0.00   -0.0006733   -0.0004403   -0.0015034
 C    2.1354080   18.7169880    1.8334223  0.00   -0.0024109   -0.0018054    0.0010442
 H    1.3561683   17.9668985    2.0162305  0.00   -0.0000004   -0.0024211    0.0001469
 C    1.4764833   19.9443331    1.2115762  0.00   -0.0014507    0.0010354    0.0018463
 H    0.7948716   20.4454505    1.9036666  0.00   -0.0014085    0.0000337   -0.0010590
 H    0.9096775   19.6574401    0.3239113  0.00    0.0001744   -0.0029092    0.0018802
 H    2.2164192   20.6803953    0.8915592  0.00   -0.0000402    0.0000892   -0.0003675
 C    3.1256105   18.0981978    0.8444206  0.00    0.0008804   -0.0000420    0.0007934
 H    3.9345718   18.8000521    0.6255436  0.00    0.0001213   -0.0004757    0.0005825
 H    2.6241924   17.8596055   -0.0964691  0.00   -0.0012043    0.0009877   -0.0002906
 H    3.5656119   17.1806069    1.2352589  0.00    0.0005051    0.0004488    0.0003122
 C   -0.1928619   16.9700098    7.1207322  0.00   -0.0006350    0.0007499   -0.0018308
 H    0.6602422   17.5186290    7.5571705  0.00    0.0021871   -0.0000456   -0.0005072
 H   -1.0957670   17.4441431    7.5432111  0.00   -0.0011137   -0.0012812   -0.0012356
 C    1.4375907   14.3407017    7.3170723  0.00    0.0001977   -0.0005139    0.0017974
 H    1.5451283   14.2844627    6.2306506  0.00   -0.0003868    0.0005255   -0.0014470
 H    1.4187886   13.3156483    7.6992315  0.00    0.0001315    0.0010294   -0.0002186
 H    2.3362551   14.8150091    7.7187088  0.00    0.0013194    0.0016081    0.0005127
 C   -0.1355444   15.3418375    9.7282093  0.00   -0.0002500    0.0000498   -0.0012970
 H    0.7250120   15.9053294   10.0988820  0.00    0.0002514    0.0003525   -0.0002640
 H   -0.1000862   14.3475316   10.1827686  0.00   -0.0000244    0.0009498   -0.0046499
 H   -1.0378507   15.8399986   10.0931516  0.00   -0.0001525   -0.0000887   -0.0000850
 C   -1.6094985   14.2207269    7.3066746  0.00   -0.0008343   -0.0001018    0.0009389
 H   -2.5445915   14.6204288    7.7065275  0.00   -0.0005800    0.0012883    0.0000655
 H   -1.5109328   13.1987579    7.6847558  0.00    0.0000282    0.0007179    0.0001706
 H   -1.7081707   14.1607403    6.2195437  0.00    0.0007946    0.0009988   -0.0003552
129
 Energy =   -2867.2896382160
 O   -0.1336027   15.5485199    3.8332648  0.00   -0.0030683    0.0008527   -0.0003216
Th   -0.2009310   17.7586968    4.8643218  0.00   -0.0014253    0.0008482    0.0002087
Si   -0.1251636   15.2305920    7.8543057  0.00   -0.0001471    0.0006110   -0.0014716
 N   -2.1726426   16.9529719    4.1847046  0.00   -0.0004001    0.0020906    0.0014246
 N    1.8195659   17.0550340    4.2234499  0.00   -0.0010225   -0.0012687    0.0008818
 C   -2.5900586   13.1363236    2.5935215  0.00   -0.0029221   -0.0005703    0.0003084
 H   -2.6503424   12.1387834    2.1824761  0.00   -0.0000748    0.0021607    0.0008489
 C   -3.7577422   13.8636427    2.7807168  0.00    0.0018526   -0.0000568    0.0005140
 C   -3.6673240   15.1556337    3.3135600  0.00    0.0008213    0.0001895   -0.0002381
 H   -4.5570217   15.7579248    3.4523419  0.00    0.0007969    0.0005483    0.0001189
 C   -2.4381668   15.6946982    3.6542512  0.00   -0.0014928    0.0019816    0.0019623
 C    2.1593754   15.8251255    3.6713316  0.00   -0.0018664    0.0002721    0.0012291
 C    3.4185310   15.3647663    3.3266601  0.00    0.0007643    0.0010256    0.0005320
 H    4.2710582   16.0159609    3.4777564  0.00    0.0003339    0.0004538   -0.0000073
 C    3.5864145   14.0833854    2.7869848  0.00    0.0034268   -0.0004755   -0.0006498
 C    2.4645095   13.2883885    2.5949911  0.00   -0.0002461    0.0003925    0.0004695
 H    2.5848867   12.2978071    2.1805591  0.00    0.0008989    0.0006664    0.0000769
 C   -0.0519461   12.8331456    2.7033064  0.00    0.0005143    0.0019289    0.0018814
 C   -1.3250650   13.6411101    2.9165390  0.00   -0.0002005   -0.0000385   -0.0005982
 C   -1.3066465   14.9039914    3.4498983  0.00    0.0020253   -0.0009243    0.0013388
 C    1.0759874   14.9726189    3.4550580  0.00    0.0017198   -0.0013927   -0.0001517
 C    1.1706715   13.7151093    2.9174765  0.00    0.0000093    0.0008468    0.0006833
 C   -0.0175055   11.6746807    3.7140189  0.00   -0.0009246    0.0016522    0.0007204
 H   -0.0292563   12.0466080    4.7403724  0.00    0.0002180    0.0013125   -0.0002127
 H    0.8856427   11.0761641    3.5785859  0.00    0.0008436   -0.0001669   -0.0020454
 H   -0.8829160   11.0227847    3.5778563  0.00    0.0002315    0.0005429   -0.0020252
 C   -0.0349389   12.2675010    1.2767769  0.00   -0.0011741    0.0014802    0.0000415
 H   -0.8931097   11.6169885    1.1052140  0.00    0.0005148   -0.0001123    0.0033822
 H    0.8605665   11.6695494    1.1054114  0.00    0.0006823   -0.0007282    0.0034159
 H   -0.0589315   13.0680965    0.5353065  0.00   -0.0000031    0.0015084    0.0021667
 C   -5.1298221   13.3015354    2.4128697  0.00   -0.0021935    0.0005185    0.0005493
 C   -6.0242280   13.2796988    3.6574833  0.00   -0.0012969    0.0008850    0.0006332
 H   -5.5836016   12.6684242    4.4485212  0.00    0.0003073   -0.0009427    0.0006597
 H   -7.0017581   12.8596950    3.4084140  0.00   -0.0018260    0.0002078    0.0007863
 H   -6.1903111   14.2823614    4.0568142  0.00    0.0003040   -0.0003503    0.0016759
 C   -5.7732553   14.1925355    1.3437432  0.00   -0.0004077    0.0015210   -0.0004443
 H   -5.9144569   15.2161771    1.6973308  0.00    0.0012774    0.0009558   -0.0006346
 H   -6.7555531   13.7994375    1.0704737  0.00   -0.0014574    0.0004888   -0.0010226
 H   -5.1596627   14.2277406    0.4403369  0.00    0.0009416   -0.0001626   -0.0011642
 C   -5.0446996   11.8805541    1.8621044  0.00   -0.0003519   -0.0006780   -0.0001110
 H   -4.4505602   11.8323243    0.9461745  0.00   -0.0008937   -0.0009802   -0.0002850
 H   -6.0480392   11.5252706    1.6189573  0.00   -0.0015945    0.0008987   -0.0001816
 H   -4.6192316   11.1852628    2.5900602  0.00   -0.0009072    0.0000115   -0.0002795
 C    4.9917179   13.6033987    2.4271735  0.00    0.0017893   -0.0004045   -0.0003448
 C    5.6008764   14.5449434    1.3816099  0.00   -0.0005823    0.0021142    0.0005722
 H    6.6044471   14.2065532    1.1124383  0.00    0.0007047   -0.0001495   -0.0001383
 H    5.6886323   15.5674480    1.7554122  0.00   -0.0015295    0.0003565   -0.0008601
 H    4.9961707   14.5666781    0.4717653  0.00   -0.0011706   -0.0004413   -0.0007826
 C    5.8690467   13.6098312    3.6844323  0.00    0.0000725    0.0016431    0.0008905
 H    5.4534775   12.9593490    4.4575433  0.00   -0.0000127   -0.0012058    0.0004372
 H    5.9698613   14.6128320    4.1045723  0.00   -0.0002987   -0.0010091    0.0016157
 H    6.8728782   13.2519454    3.4428164  0.00    0.0011664    0.0002997    0.0004740
 C    4.9913727   12.1891832    1.8526845  0.00    0.0011625   -0.0003077   -0.0000170
 H    4.6001043   11.4588941    2.5652788  0.00    0.0004957   -0.0000409    0.0001375
 H    6.0151013   11.8945801    1.6130616  0.00    0.0003671    0.0021522    0.0006019
 H    4.4081196   12.1229510    0.9309034  0.00    0.0004979   -0.0004760   -0.0002826
 C   -3.1442731   17.9916579    4.2664520  0.00    0.0030214   -0.0011267    0.0004689
 C   -3.9148958   18.1679385    5.4404540  0.00   -0.0009250    0.0010445    0.0006627
 C   -4.8045011   19.2366617    5.4991807  0.00    0.0000725    0.0002275   -0.0015221
 H   -5.4053307   19.3767068    6.3900619  0.00    0.0019993   -0.0015582   -0.0012845
 C   -4.9436073   20.1169548    4.4448825  0.00   -0.0001836   -0.0001184    0.0005527
 H   -5.6442309   20.9410423    4.5128779  0.00   -0.0006072    0.0000884   -0.0010222
 C   -4.1864351   19.9451510    3.3003245  0.00   -0.0013149    0.0001820    0.0003821
 H   -4.3092188   20.6407781    2.4801676  0.00    0.0022831    0.0002800    0.0002178
 C   -3.2831990   18.8950234    3.1795127  0.00    0.0014522   -0.0002796   -0.0009824
 C   -2.5378689   18.7153842    1.8708605  0.00    0.0015731   -0.0012464    0.0008543
 H   -1.5985971   18.1838091    2.0813573  0.00    0.0010042   -0.0026876    0.0010647
 C   -3.3346336   17.8358297    0.9037558  0.00    0.0016266   -0.0009470   -0.0004213
 H   -3.5420134   16.8514153    1.3217116  0.00    0.0001408   -0.0001650   -0.0003546
 H   -2.7820201   17.7004460   -0.0290254  0.00    0.0002153    0.0017520    0.0004134
 H   -4.2881194   18.3132153    0.6629008  0.00   -0.0011204    0.0009607    0.0008901
 C   -2.1902400   20.0349765    1.1892652  0.00    0.0004370   -0.0004945    0.0022895
 H   -3.0816269   20.5290289    0.7976430  0.00    0.0002675   -0.0000660    0.0001978
 H   -1.5339454   19.8527916    0.3370289  0.00    0.0013653   -0.0016676    0.0024586
 H   -1.6908480   20.7359862    1.8621257  0.00    0.0017481    0.0006211    0.0001708
 C   -3.8504391   17.2183359    6.6159233  0.00   -0.0006020   -0.0003239    0.0001659
 H   -2.9786758   16.5759155    6.4771749  0.00    0.0006026   -0.0027258   -0.0011179
 C   -5.0830755   16.3138137    6.6588871  0.00    0.0003857   -0.0007377    0.0002153
 H   -5.9957599   16.9044247    6.7720137  0.00   -0.0015246   -0.0001903   -0.0006054
 H   -5.0207167   15.6301738    7.5089106  0.00   -0.0016756    0.0001560    0.0006684
 H   -5.1754163   15.7122437    5.7543952  0.00    0.0013810    0.0017432   -0.0008392
 C   -3.7032095   17.9524109    7.9485588  0.00   -0.0013776   -0.0016149   -0.0011449
 H   -2.8945862   18.6876904    7.9337521  0.00    0.0003811   -0.0018418   -0.0002887
 H   -3.4985189   17.2401419    8.7511539  0.00   -0.0005734   -0.0021679   -0.0007607
 H   -4.6182910   18.4836842    8.2196111  0.00   -0.0005829   -0.0016536   -0.0019205
 C    2.7095624   18.1641759    4.2786212  0.00    0.0003834    0.0025243   -0.0002760
 C    2.8138703   19.0214012    3.1531542  0.00   -0.0020040   -0.0025058    0.0005677
 C    3.6207924   20.1496397    3.2482003  0.00    0.0001166    0.0008184   -0.0004233
 H    3.7186329   20.8082558    2.3938238  0.00   -0.0022725    0.0008847   -0.0004850
 C    4.3114325   20.4441065    4.4093324  0.00    0.0009078    0.0001369   -0.0008123
 H    4.9342101   21.3295957    4.4606990  0.00    0.0004198    0.0005459   -0.0007925
 C    4.2126656   19.6027025    5.5006252  0.00   -0.0003009   -0.0002924   -0.0013580
 H    4.7689885   19.8348698    6.4009207  0.00   -0.0002879   -0.0011347   -0.0007581
 C    3.4279748   18.4540620    5.4637736  0.00   -0.0007612   -0.0004631   -0.0011591
 C    3.4336100   17.5301212    6.6614485  0.00    0.0010268    0.0016211   -0.0007847
 H    2.6132992   16.8205393    6.5369472  0.00   -0.0004943   -0.0024915   -0.0008686
 C    4.7311740   16.7208953    6.7111600  0.00   -0.0009389   -0.0020178   -0.0001419
 H    4.8668538   16.1194104    5.8116431  0.00   -0.0018828    0.0013522   -0.0004261
 H    4.7216080   16.0427693    7.5678123  0.00    0.0016447    0.0006507    0.0008183
 H    5.5970567   17.3796125    6.8156242  0.00    0.0013876    0.0010604   -0.0009883
 C    3.2348550   18.2723604    7.9817699  0.00    0.0010077   -0.0018653   -0.0005924
 H    4.1029281   18.8840515    8.2373647  0.00    0.0005844   -0.0012759   -0.0023585
 H    3.0975637   17.5588832    8.7975218  0.00   -0.0002410   -0.0017623   -0.0008710
 H    2.3654736   18.9347649    7.9622890  0.00   -0.0009699   -0.0007093   -0.0008329
 C    2.1352780   18.7168729    1.8334752  0.00   -0.0019309   -0.0008035   -0.0003000
 H    1.3562019   17.9665077    2.0160768  0.00    0.0004536   -0.0020061    0.0006893
 C    1.4760566   19.9442193    1.2118913  0.00    0.0013165    0.0001960    0.0001972
 H    0.7944504   20.4451140    1.9039701  0.00   -0.0027078    0.0006218    0.0000072
 H    0.9095213   19.6572040    0.3241235  0.00   -0.0004270   -0.0024693    0.0017512
 H    2.2159580   20.6804539    0.8919831  0.00   -0.0008389   -0.0004858   -0.0000896
 C    3.1255412   18.0985333    0.8441936  0.00   -0.0008520   -0.0015064    0.0005158
 H    3.9343928   18.8004187    0.6253261  0.00    0.0006833    0.0003631    0.0006476
 H    2.6239357   17.8601103   -0.0966946  0.00   -0.0006008    0.0010950    0.0002612
 H    3.5656297   17.1808146    1.2347079  0.00    0.0004898    0.0007873    0.0003665
 C   -0.1928646   16.9703304    7.1206081  0.00    0.0005764    0.0008257   -0.0004653
 H    0.6603941   17.5188472    7.5571397  0.00    0.0006570   -0.0005461   -0.0011844
 H   -1.0958127   17.4442955    7.5431161  0.00   -0.0010015   -0.0008744   -0.0010297
 C    1.4376062   14.3409183    7.3168639  0.00    0.0017075    0.0009379   -0.0014398
 H    1.5454167   14.2844902    6.2303065  0.00   -0.0007802    0.0008733    0.0012346
 H    1.4188509   13.3159671    7.6990305  0.00   -0.0001704   -0.0004591    0.0005401
 H    2.3362953   14.8152361    7.7185826  0.00    0.0006517    0.0013127    0.0002276
 C   -0.1355478   15.3417427    9.7279116  0.00   -0.0000723    0.0018556   -0.0025636
 H    0.7251427   15.9051794   10.0985576  0.00   -0.0010524   -0.0001698   -0.0001384
 H   -0.1000838   14.3473050   10.1819776  0.00    0.0000436    0.0000017   -0.0035384
 H   -1.0380200   15.8397743   10.0927582  0.00    0.0009215   -0.0003209    0.0001571
 C   -1.6095314   14.2210070    7.3064478  0.00   -0.0009546    0.0003571   -0.0004341
 H   -2.5445243   14.6207881    7.7063856  0.00   -0.0009237    0.0014416    0.0002104
 H   -1.5110568   13.1991136    7.6846387  0.00    0.0003102    0.0000276    0.0004927
 H   -1.7084393   14.1608298    6.2193020  0.00    0.0009883    0.0011122    0.0005224
129
 Energy =   -2867.2896427830
 O   -0.1337521   15.5480013    3.8335480  0.00   -0.0002006    0.0009978   -0.0000710
Th   -0.2011674   17.7587973    4.8639936  0.00    0.0008497    0.0000441    0.0006893
Si   -0.1251123   15.2314230    7.8533880  0.00    0.0002309   -0.0000597   -0.0015924
 N   -2.1724749   16.9523748    4.1850306  0.00   -0.0006711    0.0028170    0.0008181
 N    1.8195071   17.0545509    4.2236855  0.00   -0.0015850    0.0011533   -0.0005768
 C   -2.5901917   13.1360640    2.5936920  0.00   -0.0010717   -0.0001229    0.0009464
 H   -2.6505442   12.1385398    2.1827359  0.00   -0.0003784    0.0010518    0.0001984
 C   -3.7577819   13.8635327    2.7809457  0.00    0.0015227   -0.0005747   -0.0005363
 C   -3.6671442   15.1556145    3.3135682  0.00    0.0003204   -0.0047078   -0.0003436
 H   -4.5567675   15.7575839    3.4524480  0.00   -0.0014528    0.0031485    0.0003657
 C   -2.4380851   15.6941840    3.6546118  0.00   -0.0005706    0.0034332    0.0018819
 C    2.1593161   15.8247150    3.6714811  0.00   -0.0029267   -0.0017960    0.0010565
 C    3.4184884   15.3645053    3.3266141  0.00    0.0008895    0.0016264    0.0021744
 H    4.2709937   16.0157924    3.4779862  0.00   -0.0004896   -0.0001130   -0.0006049
 C    3.5864635   14.0831142    2.7870223  0.00    0.0038360    0.0014469    0.0006766
 C    2.4646983   13.2880883    2.5952697  0.00   -0.0029954   -0.0012263   -0.0004151
 H    2.5851531   12.2975324    2.1808452  0.00    0.0007889    0.0002979   -0.0000865
 C   -0.0517954   12.8327273    2.7034054  0.00   -0.0022711    0.0020522    0.0016477
 C   -1.3250277   13.6406230    2.9167605  0.00   -0.0011197    0.0004870   -0.0001134
 C   -1.3066698   14.9034188    3.4502911  0.00    0.0015246   -0.0004649   -0.0002945
 C    1.0758839   14.9719858    3.4554499  0.00    0.0023567    0.0033406   -0.0003610
 C    1.1707279   13.7146128    2.9177781  0.00    0.0018251    0.0008389    0.0001788
 C   -0.0174595   11.6747098    3.7145551  0.00   -0.0002840    0.0012328   -0.0008142
 H   -0.0291211   12.0479910    4.7404107  0.00    0.0000485   -0.0006454    0.0006086
 H    0.8857715   11.0761521    3.5795112  0.00    0.0001325    0.0000949   -0.0016823
 H   -0.8829331   11.0227190    3.5788466  0.00    0.0008053    0.0011080   -0.0016961
 C   -0.0349423   12.2676817    1.2766152  0.00   -0.0004986    0.0007334    0.0021674
 H   -0.8931860   11.6173669    1.1046406  0.00    0.0005511   -0.0002328    0.0036258
 H    0.8605987   11.6698856    1.1048836  0.00    0.0004957   -0.0007808    0.0032406
 H   -0.0589639   13.0689108    0.5359202  0.00    0.0000941    0.0016122    0.0007481
 C   -5.1300092   13.3017250    2.4130037  0.00   -0.0012083   -0.0001711   -0.0000148
 C   -6.0243723   13.2801127    3.6576293  0.00   -0.0008534   -0.0001966    0.0013178
 H   -5.5841331   12.6683279    4.4485309  0.00    0.0002283   -0.0009696    0.0000327
 H   -7.0023155   12.8610140    3.4085986  0.00   -0.0014152    0.0000999    0.0007681
 H   -6.1893896   14.2826720    4.0574173  0.00   -0.0006480    0.0009778    0.0016631
 C   -5.7732009   14.1929687    1.3438899  0.00   -0.0003188    0.0004550   -0.0006204
 H   -5.9134585   15.2167323    1.6973538  0.00    0.0002295    0.0013418   -0.0003641
 H   -6.7558060   13.8002469    1.0710081  0.00   -0.0008156    0.0012767   -0.0010232
 H   -5.1598616   14.2277650    0.4402722  0.00    0.0009203   -0.0004780   -0.0008207
 C   -5.0453846   11.8806641    1.8621212  0.00   -0.0006290    0.0005635    0.0003008
 H   -4.4512388   11.8322198    0.9461911  0.00   -0.0010938   -0.0007225   -0.0002793
 H   -6.0490105   11.5260285    1.6189606  0.00   -0.0003983    0.0003555    0.0000662
 H   -4.6200863   11.1851817    2.5900250  0.00   -0.0013718    0.0001190   -0.0003462
 C    4.9917796   13.6034959    2.4273017  0.00    0.0022369   -0.0006343   -0.0003037
 C    5.6006503   14.5453139    1.3818512  0.00    0.0008726    0.0007948   -0.0006972
 H    6.6045741   14.2073935    1.1131009  0.00   -0.0004129    0.0006157   -0.0000157
 H    5.6874665   15.5679175    1.7554281  0.00   -0.0006831    0.0010648   -0.0001468
 H    4.9963452   14.5666515    0.4717209  0.00   -0.0013952   -0.0008116   -0.0005073
 C    5.8690621   13.6101350    3.6846277  0.00    0.0008482    0.0000493    0.0010240
 H    5.4540389   12.9590095    4.4575334  0.00   -0.0002069   -0.0009821   -0.0000714
 H    5.9688605   14.6129426    4.1052922  0.00    0.0002754    0.0002725    0.0016095
 H    6.8733535   13.2532179    3.4431008  0.00   -0.0003496    0.0005264    0.0003747
 C    4.9918854   12.1893502    1.8527697  0.00    0.0010202   -0.0000812    0.0001007
 H    4.6006919   11.4589389    2.5652481  0.00    0.0007750   -0.0002465    0.0004803
 H    6.0157635   11.8952678    1.6132666  0.00    0.0005194    0.0012892    0.0004125
 H    4.4087156   12.1229218    0.9309877  0.00    0.0004065   -0.0002490   -0.0008041
 C   -3.1440681   17.9910856    4.2665666  0.00    0.0030431   -0.0017911   -0.0002681
 C   -3.9147705   18.1673815    5.4403396  0.00   -0.0016947    0.0029138    0.0010384
 C   -4.8041794   19.2362739    5.4988019  0.00   -0.0018424    0.0007456    0.0008726
 H   -5.4055204   19.3759304    6.3893637  0.00    0.0022496   -0.0009466   -0.0002607
 C   -4.9429837   20.1170777    4.4448562  0.00   -0.0009145   -0.0017956    0.0009310
 H   -5.6433398   20.9416065    4.5130473  0.00    0.0010524   -0.0024986   -0.0014513
 C   -4.1857859   19.9448360    3.3004303  0.00   -0.0000122   -0.0004798   -0.0014053
 H   -4.3081808   20.6407231    2.4804382  0.00    0.0024677   -0.0001357   -0.0004950
 C   -3.2828580   18.8942245    3.1795801  0.00    0.0002317    0.0042750   -0.0003476
 C   -2.5373537   18.7148621    1.8710754  0.00    0.0033170   -0.0020745   -0.0009492
 H   -1.5983390   18.1826871    2.0812616  0.00    0.0007307   -0.0022367    0.0017224
 C   -3.3340762   17.8361641    0.9030588  0.00   -0.0016125    0.0036860    0.0003990
 H   -3.5413167   16.8514846    1.3201105  0.00   -0.0002012   -0.0021710   -0.0000180
 H   -2.7816679   17.7021780   -0.0300305  0.00    0.0003022    0.0008330    0.0006036
 H   -4.2877980   18.3139510    0.6631219  0.00    0.0014158   -0.0007711    0.0007747
 C   -2.1888905   20.0346056    1.1900485  0.00   -0.0008276   -0.0012046    0.0016323
 H   -3.0801311   20.5288140    0.7980394  0.00    0.0018580   -0.0000991    0.0008326
 H   -1.5323127   19.8519467    0.3380682  0.00    0.0007690   -0.0003520    0.0031021
 H   -1.6895311   20.7353547    1.8633092  0.00    0.0011424   -0.0000207   -0.0008096
 C   -3.8505122   17.2179527    6.6158941  0.00   -0.0001271   -0.0018242    0.0003174
 H   -2.9788478   16.5754576    6.4771325  0.00    0.0006520   -0.0029024   -0.0009845
 C   -5.0831299   16.3134596    6.6591951  0.00   -0.0015446    0.0011590    0.0003210
 H   -5.9960371   16.9038995    6.7719111  0.00   -0.0003955    0.0003320   -0.0008135
 H   -5.0212212   15.6303942    7.5097226  0.00   -0.0006326   -0.0005645   -0.0003328
 H   -5.1752522   15.7118842    5.7548212  0.00    0.0009222   -0.0003021   -0.0013857
 C   -3.7031912   17.9518087    7.9485263  0.00   -0.0006429   -0.0007450   -0.0010004
 H   -2.8942003   18.6868259    7.9338612  0.00   -0.0008210   -0.0031818    0.0005429
 H   -3.4993342   17.2389844    8.7509388  0.00    0.0001115   -0.0001860   -0.0010605
 H   -4.6181520   18.4834507    8.2191735  0.00   -0.0007553   -0.0014140   -0.0012412
 C    2.7093978   18.1637927    4.2784089  0.00    0.0021399    0.0014302    0.0035151
 C    2.8134930   19.0212652    3.1531688  0.00   -0.0032843   -0.0017168   -0.0009266
 C    3.6199994   20.1498502    3.2483402  0.00   -0.0005789   -0.0004094   -0.0018347
 H    3.7172282   20.8088269    2.3943799  0.00   -0.0022024    0.0017833   -0.0033569
 C    4.3109523   20.4444086    4.4090887  0.00    0.0016053   -0.0020385    0.0021743
 H    4.9333947   21.3301799    4.4608117  0.00   -0.0000843   -0.0007585   -0.0014692
 C    4.2127344   19.6023477    5.4999565  0.00    0.0000959    0.0003249    0.0001777
 H    4.7695167   19.8338476    6.3999398  0.00    0.0009677    0.0005473    0.0018913
 C    3.4281778   18.4537058    5.4635084  0.00   -0.0033093   -0.0007157   -0.0043098
 C    3.4337579   17.5299030    6.6613260  0.00   -0.0029645   -0.0028022   -0.0029857
 H    2.6132592   16.8200541    6.5366904  0.00    0.0031268    0.0009405   -0.0007571
 C    4.7311783   16.7205522    6.7114113  0.00    0.0021809    0.0016309   -0.0001685
 H    4.8664319   16.1186778    5.8121716  0.00   -0.0014532   -0.0002060   -0.0008953
 H    4.7220714   16.0433425    7.5687428  0.00    0.0008047   -0.0007535    0.0005952
 H    5.5974402   17.3791544    6.8150583  0.00   -0.0008963    0.0003447   -0.0011194
 C    3.2345249   18.2720718    7.9813899  0.00    0.0005553    0.0001870   -0.0004552
 H    4.1026388   18.8836681    8.2369691  0.00    0.0007579   -0.0007341   -0.0015430
 H    3.0972290   17.5583200    8.7969173  0.00   -0.0010124   -0.0005201   -0.0002829
 H    2.3651775   18.9347452    7.9613776  0.00    0.0007197   -0.0026075    0.0002450
 C    2.1347587   18.7167238    1.8335133  0.00   -0.0008815   -0.0022857   -0.0002686
 H    1.3560173   17.9658829    2.0158950  0.00    0.0005344   -0.0011624    0.0014038
 C    1.4752039   19.9438058    1.2120826  0.00   -0.0010815    0.0005141    0.0009818
 H    0.7931982   20.4443863    1.9040984  0.00   -0.0019275    0.0000291   -0.0007475
 H    0.9090071   19.6563871    0.3242422  0.00   -0.0007310   -0.0016680    0.0016224
 H    2.2147320   20.6803791    0.8923812  0.00    0.0002553    0.0002223   -0.0006156
 C    3.1249708   18.0988102    0.8439041  0.00    0.0011501    0.0013669    0.0002748
 H    3.9338868   18.8008783    0.6253439  0.00   -0.0006843   -0.0005845    0.0007460
 H    2.6233766   17.8608969   -0.0971072  0.00   -0.0007293    0.0006521    0.0003129
 H    3.5652342   17.1810920    1.2340124  0.00    0.0007171   -0.0006851    0.0008525
 C   -0.1928847   16.9716722    7.1206319  0.00    0.0012157   -0.0012137   -0.0007338
 H    0.6605071   17.5200724    7.5571915  0.00   -0.0001771   -0.0010973   -0.0015543
 H   -1.0958571   17.4455410    7.5430968  0.00   -0.0010159   -0.0009903   -0.0007135
 C    1.4378699   14.3417371    7.3161887  0.00    0.0019957   -0.0004633    0.0008683
 H    1.5466342   14.2842168    6.2298155  0.00   -0.0015110    0.0019816    0.0004273
 H    1.4188494   13.3170232    7.6991446  0.00   -0.0003436    0.0000583    0.0000382
 H    2.3364445   14.8159989    7.7183572  0.00    0.0001765    0.0014790   -0.0003393
 C   -0.1355521   15.3415810    9.7270391  0.00    0.0000624    0.0011690   -0.0031368
 H    0.7252279   15.9049349   10.0976338  0.00   -0.0019063    0.0001402    0.0006341
 H   -0.1000752   14.3469851   10.1808870  0.00    0.0000916    0.0008260   -0.0042618
 H   -1.0382925   15.8393219   10.0915977  0.00    0.0016333    0.0002839    0.0010922
 C   -1.6096553   14.2217893    7.3058706  0.00   -0.0012082   -0.0002404    0.0013214
 H   -2.5443609   14.6218350    7.7061837  0.00   -0.0011524    0.0016238    0.0000251
 H   -1.5112401   13.2001729    7.6848932  0.00    0.0007065    0.0001497    0.0000961
 H   -1.7094513   14.1605744    6.2189388  0.00    0.0016721    0.0018713   -0.0006003
129
 Energy =   -2867.2896461550
 O   -0.1338192   15.5479201    3.8337138  0.00    0.0006769    0.0007986    0.0000571
Th   -0.2012968   17.7589868    4.8638856  0.00    0.0025954   -0.0004806   -0.0006452
Si   -0.1250671   15.2317193    7.8529067  0.00    0.0005720   -0.0005059   -0.0018059
 N   -2.1724373   16.9522099    4.1852684  0.00   -0.0003224    0.0021831    0.0012701
 N    1.8194579   17.0544082    4.2238469  0.00   -0.0013690    0.0009574   -0.0014064
 C   -2.5902666   13.1361263    2.5939105  0.00   -0.0030283   -0.0014102    0.0005180
 H   -2.6508034   12.1386496    2.1829970  0.00   -0.0000945    0.0004212   -0.0000567
 C   -3.7579022   13.8635510    2.7811269  0.00    0.0029603   -0.0004781   -0.0015527
 C   -3.6670810   15.1556530    3.3135979  0.00   -0.0016343   -0.0049483    0.0008836
 H   -4.5567214   15.7576041    3.4525005  0.00   -0.0017228    0.0037648    0.0004835
 C   -2.4380652   15.6940676    3.6549167  0.00   -0.0002375    0.0029489    0.0003372
 C    2.1592616   15.8245515    3.6716247  0.00   -0.0015280    0.0004416    0.0014111
 C    3.4185279   15.3644780    3.3266927  0.00   -0.0001149    0.0037724    0.0029203
 H    4.2710375   16.0158349    3.4781024  0.00   -0.0013805   -0.0005135   -0.0007312
 C    3.5866358   14.0831419    2.7871394  0.00    0.0024736    0.0011490    0.0007103
 C    2.4648190   13.2881391    2.5954987  0.00   -0.0022317   -0.0022660   -0.0006713
 H    2.5854610   12.2976058    2.1810815  0.00    0.0003556   -0.0000731   -0.0002143
 C   -0.0517967   12.8326952    2.7035660  0.00   -0.0018383    0.0025717    0.0014359
 C   -1.3250937   13.6405367    2.9169300  0.00   -0.0004122    0.0009982    0.0001711
 C   -1.3067244   14.9032731    3.4505393  0.00    0.0032819   -0.0005990    0.0002554
 C    1.0758426   14.9718716    3.4556828  0.00    0.0025149    0.0025638    0.0002069
 C    1.1707966   13.7145488    2.9180133  0.00    0.0003599    0.0008173   -0.0003423
 C   -0.0174350   11.6748318    3.7148539  0.00   -0.0004075    0.0011994   -0.0010221
 H   -0.0290588   12.0486615    4.7405533  0.00    0.0000084   -0.0016893    0.0000882
 H    0.8858469   11.0762699    3.5798864  0.00   -0.0004106    0.0003812   -0.0012703
 H   -0.8829520   11.0228317    3.5792508  0.00    0.0013711    0.0014301   -0.0011486
 C   -0.0349403   12.2679336    1.2767118  0.00   -0.0006022    0.0005618    0.0018830
 H   -0.8932327   11.6176797    1.1046452  0.00    0.0010000    0.0000546    0.0034114
 H    0.8606395   11.6701765    1.1049049  0.00    0.0001115   -0.0005212    0.0029551
 H   -0.0589778   13.0694611    0.5362617  0.00    0.0001912    0.0006409    0.0012279
 C   -5.1302117   13.3019107    2.4131123  0.00   -0.0008039    0.0001096   -0.0000712
 C   -6.0245556   13.2803531    3.6578369  0.00   -0.0004586   -0.0000718    0.0003896
 H   -5.5843831   12.6682839    4.4485592  0.00    0.0000112   -0.0012006   -0.0000125
 H   -7.0027247   12.8616721    3.4088312  0.00   -0.0008612    0.0004873    0.0009326
 H   -6.1890054   14.2829054    4.0579017  0.00   -0.0009298    0.0010176    0.0015412
 C   -5.7732453   14.1933123    1.3439090  0.00    0.0002659   -0.0002020   -0.0001894
 H   -5.9129579   15.2172014    1.6973091  0.00   -0.0002168    0.0009543   -0.0004810
 H   -6.7560218   13.8007895    1.0711588  0.00   -0.0001505    0.0020104   -0.0007990
 H   -5.1598902   14.2278335    0.4402334  0.00    0.0003368   -0.0007092   -0.0002431
 C   -5.0457527   11.8808516    1.8621992  0.00   -0.0003834    0.0003762    0.0000779
 H   -4.4515449   11.8322950    0.9462678  0.00   -0.0017090   -0.0005628    0.0003102
 H   -6.0494998   11.5265034    1.6190220  0.00    0.0001627    0.0000971    0.0001474
 H   -4.6205069   11.1852993    2.5901114  0.00   -0.0019697    0.0004052   -0.0007412
 C    4.9919818   13.6036221    2.4273956  0.00    0.0009554    0.0006423    0.0004142
 C    5.6006091   14.5456308    1.3819196  0.00    0.0002058    0.0006886   -0.0002916
 H    6.6046339   14.2079139    1.1133927  0.00    0.0000975    0.0010964   -0.0003023
 H    5.6868575   15.5683534    1.7553955  0.00   -0.0002685    0.0003879   -0.0002054
 H    4.9963483   14.5666971    0.4717087  0.00   -0.0010012   -0.0011294   -0.0001233
 C    5.8691604   13.6103278    3.6848439  0.00    0.0004133    0.0003952    0.0008927
 H    5.4543080   12.9588517    4.4575673  0.00   -0.0001447   -0.0010501   -0.0003574
 H    5.9684078   14.6130659    4.1058519  0.00    0.0003682    0.0000351    0.0012578
 H    6.8736125   13.2538893    3.4433609  0.00   -0.0000253    0.0005833    0.0002941
 C    4.9921278   12.1895444    1.8528811  0.00    0.0012824   -0.0000818   -0.0000989
 H    4.6009471   11.4591146    2.5653573  0.00    0.0011277   -0.0003119    0.0004477
 H    6.0160965   11.8958049    1.6134622  0.00    0.0006262    0.0004097    0.0001248
 H    4.4089520   12.1230633    0.9310942  0.00    0.0006729   -0.0002054   -0.0008118
 C   -3.1440471   17.9907511    4.2666207  0.00    0.0028206   -0.0006688   -0.0014661
 C   -3.9148813   18.1671169    5.4402215  0.00   -0.0011960    0.0006982    0.0028331
 C   -4.8041988   19.2359811    5.4985751  0.00   -0.0021656    0.0010587    0.0007434
 H   -5.4056193   19.3753889    6.3889677  0.00    0.0010153   -0.0003296    0.0015600
 C   -4.9428386   20.1169326    4.4447802  0.00   -0.0011142   -0.0012929   -0.0001700
 H   -5.6430841   20.9416105    4.5129366  0.00    0.0016603   -0.0032655   -0.0013377
 C   -4.1856509   19.9445084    3.3003865  0.00    0.0008073    0.0002496   -0.0012310
 H   -4.3077037   20.6404851    2.4804616  0.00    0.0021971    0.0000276   -0.0008693
 C   -3.2827853   18.8938282    3.1795769  0.00    0.0003860    0.0036084   -0.0008217
 C   -2.5370928   18.7144091    1.8711496  0.00    0.0003741    0.0002884   -0.0008640
 H   -1.5983199   18.1818882    2.0812429  0.00    0.0014617   -0.0026269    0.0019400
 C   -3.3340850   17.8363983    0.9026823  0.00    0.0007731    0.0015718    0.0009874
 H   -3.5412016   16.8514108    1.3192838  0.00   -0.0001430   -0.0013217   -0.0008163
 H   -2.7816700   17.7030308   -0.0305594  0.00   -0.0005125    0.0007738    0.0013739
 H   -4.2877764   18.3142850    0.6631990  0.00    0.0002961   -0.0000765    0.0005779
 C   -2.1884057   20.0343085    1.1904837  0.00    0.0008005   -0.0015473    0.0023177
 H   -3.0795030   20.5286219    0.7983275  0.00    0.0018810    0.0000615    0.0007873
 H   -1.5316999   19.8513964    0.3386979  0.00    0.0009977    0.0002824    0.0024118
 H   -1.6888956   20.7349854    1.8638266  0.00    0.0002494   -0.0009549   -0.0012966
 C   -3.8506402   17.2175938    6.6158372  0.00   -0.0021746    0.0004631    0.0001152
 H   -2.9790965   16.5749778    6.4770531  0.00    0.0012231   -0.0030964   -0.0012025
 C   -5.0833889   16.3132941    6.6593323  0.00   -0.0004210   -0.0004600   -0.0000064
 H   -5.9963740   16.9035499    6.7718340  0.00   -0.0008596    0.0016001   -0.0008503
 H   -5.0216153   15.6303864    7.5100790  0.00   -0.0004385   -0.0002338   -0.0014353
 H   -5.1752904   15.7117030    5.7549295  0.00    0.0005117   -0.0010279   -0.0009342
 C   -3.7033335   17.9514813    7.9484035  0.00   -0.0005056   -0.0013454   -0.0009084
 H   -2.8941482   18.6862774    7.9339723  0.00   -0.0006353   -0.0032339    0.0006089
 H   -3.4999493   17.2384025    8.7507184  0.00    0.0002235    0.0004309   -0.0006816
 H   -4.6182481   18.4833334    8.2187179  0.00   -0.0008284   -0.0012474   -0.0008040
 C    2.7095015   18.1635691    4.2783088  0.00   -0.0004919    0.0008445    0.0023006
 C    2.8133781   19.0210766    3.1530981  0.00   -0.0028142   -0.0024794   -0.0002640
 C    3.6197493   20.1497389    3.2482834  0.00   -0.0001129    0.0013872   -0.0014237
 H    3.7166039   20.8089513    2.3944293  0.00   -0.0021357    0.0015371   -0.0033472
 C    4.3109571   20.4443608    4.4089556  0.00   -0.0000883   -0.0025466    0.0003616
 H    4.9332207   21.3302444    4.4607217  0.00    0.0001103   -0.0006162   -0.0015988
 C    4.2129317   19.6021108    5.4996067  0.00   -0.0007405   -0.0029131    0.0010687
 H    4.7699005   19.8331864    6.3994831  0.00    0.0017669    0.0014843    0.0029961
 C    3.4283004   18.4534155    5.4632297  0.00   -0.0008593    0.0004120   -0.0023759
 C    3.4338489   17.5296194    6.6611039  0.00   -0.0005987   -0.0010130   -0.0021988
 H    2.6135084   16.8196916    6.5365316  0.00    0.0024909    0.0004405   -0.0011164
 C    4.7314295   16.7204241    6.7115228  0.00   -0.0001751   -0.0009775   -0.0009495
 H    4.8663230   16.1183079    5.8123301  0.00   -0.0009159   -0.0003344    0.0003962
 H    4.7224831   16.0434759    7.5691989  0.00    0.0005799    0.0002556   -0.0010400
 H    5.5977559   17.3788511    6.8147465  0.00   -0.0000327    0.0018167   -0.0011016
 C    3.2345289   18.2719051    7.9811129  0.00   -0.0000511   -0.0007613   -0.0009471
 H    4.1026762   18.8834715    8.2365050  0.00    0.0009721   -0.0004413   -0.0008730
 H    3.0972868   17.5579994    8.7965635  0.00   -0.0011045    0.0005114   -0.0003872
 H    2.3651754   18.9345919    7.9610094  0.00    0.0010097   -0.0028910    0.0004759
 C    2.1346189   18.7164834    1.8334858  0.00   -0.0000970   -0.0011304    0.0002602
 H    1.3561592   17.9653720    2.0158359  0.00    0.0002201   -0.0010185    0.0012940
 C    1.4748444   19.9435411    1.2122382  0.00   -0.0003815   -0.0000562    0.0006681
 H    0.7925636   20.4439263    1.9041094  0.00   -0.0019213   -0.0000625   -0.0004935
 H    0.9089641   19.6558013    0.3243653  0.00   -0.0014613   -0.0011346    0.0007369
 H    2.2142654   20.6803119    0.8926119  0.00   -0.0002382   -0.0001698   -0.0004082
 C    3.1249391   18.0990095    0.8437165  0.00    0.0004269   -0.0002358    0.0005463
 H    3.9337639   18.8011549    0.6253039  0.00   -0.0001482    0.0001205    0.0006790
 H    2.6232667   17.8613045   -0.0973377  0.00   -0.0002554    0.0005330    0.0006774
 H    3.5653116   17.1812368    1.2337063  0.00    0.0003689   -0.0001089    0.0001547
 C   -0.1928561   16.9721449    7.1204757  0.00    0.0010145   -0.0007934    0.0001004
 H    0.6605929   17.5205441    7.5569808  0.00   -0.0007943   -0.0014823   -0.0015715
 H   -1.0959275   17.4460013    7.5428786  0.00   -0.0002833   -0.0013901   -0.0006888
 C    1.4380961   14.3420570    7.3158997  0.00    0.0011406    0.0002474   -0.0004315
 H    1.5470967   14.2841775    6.2295346  0.00   -0.0015383    0.0021076    0.0013303
 H    1.4189570   13.3174823    7.6991225  0.00   -0.0003467   -0.0005750    0.0004141
 H    2.3365929   14.8163935    7.7181416  0.00    0.0000990    0.0015044   -0.0002406
 C   -0.1355507   15.3414003    9.7265546  0.00    0.0001162    0.0013187   -0.0030163
 H    0.7252194   15.9046761   10.0972650  0.00   -0.0020309    0.0003136    0.0008598
 H   -0.1000594   14.3467133   10.1801678  0.00    0.0001581    0.0005906   -0.0042752
 H   -1.0383687   15.8389551   10.0911619  0.00    0.0017081    0.0005289    0.0012367
 C   -1.6097749   14.2220927    7.3056472  0.00   -0.0004261    0.0001636    0.0001736
 H   -2.5443580   14.6223588    7.7060089  0.00   -0.0013961    0.0017520    0.0002226
 H   -1.5114310   13.2005917    7.6849520  0.00    0.0008398   -0.0001149    0.0003178
 H   -1.7097648   14.1605622    6.2187226  0.00    0.0015649    0.0018364   -0.0000930
129
 Energy =   -2867.2896521450
 O   -0.1338982   15.5473233    3.8341460  0.00    0.0032204    0.0009872    0.0001678
Th   -0.2013905   17.7590384    4.8635062  0.00    0.0027732    0.0003456   -0.0003381
Si   -0.1249436   15.2326086    7.8517285  0.00    0.0002496   -0.0006702    0.0002870
 N   -2.1723374   16.9517257    4.1856865  0.00   -0.0001304    0.0004003    0.0001853
 N    1.8193763   17.0540097    4.2239842  0.00   -0.0018479    0.0008838   -0.0014960
 C   -2.5906920   13.1358330    2.5942715  0.00   -0.0005070   -0.0006461    0.0003158
 H   -2.6516555   12.1385193    2.1833688  0.00    0.0006963   -0.0021478   -0.0010738
 C   -3.7581355   13.8633889    2.7813614  0.00    0.0005344    0.0007464   -0.0005496
 C   -3.6671278   15.1554757    3.3137812  0.00   -0.0017194   -0.0029839    0.0017866
 H   -4.5567766   15.7575439    3.4525552  0.00   -0.0004287    0.0032286    0.0003137
 C   -2.4380995   15.6936169    3.6554813  0.00    0.0008874    0.0007725   -0.0009413
 C    2.1591800   15.8241298    3.6719990  0.00    0.0024530    0.0010303    0.0008796
 C    3.4186079   15.3643272    3.3269801  0.00    0.0000410    0.0033454    0.0029793
 H    4.2711863   16.0156548    3.4783176  0.00   -0.0022478    0.0001716   -0.0004549
 C    3.5870376   14.0830939    2.7874042  0.00   -0.0020602   -0.0002779    0.0012054
 C    2.4651613   13.2878915    2.5958842  0.00    0.0000704   -0.0024808   -0.0013213
 H    2.5863930   12.2973849    2.1814342  0.00   -0.0011036    0.0005100    0.0000760
 C   -0.0518767   12.8323885    2.7038704  0.00    0.0002837    0.0018840    0.0011193
 C   -1.3253512   13.6400716    2.9172664  0.00    0.0014069    0.0000264    0.0010184
 C   -1.3067514   14.9026379    3.4511130  0.00   -0.0008281    0.0027886   -0.0005334
 C    1.0759754   14.9713607    3.4562088  0.00   -0.0016856    0.0018171   -0.0009579
 C    1.1710293   13.7140913    2.9184117  0.00   -0.0008839    0.0010985   -0.0000582
 C   -0.0173757   11.6746844    3.7152941  0.00   -0.0005945    0.0017760   -0.0007011
 H   -0.0289308   12.0492458    4.7407926  0.00   -0.0000579   -0.0032439   -0.0004406
 H    0.8858936   11.0760505    3.5804513  0.00   -0.0004518    0.0007810   -0.0010629
 H   -0.8828754   11.0226264    3.5799006  0.00    0.0011006    0.0014571   -0.0007447
 C   -0.0349357   12.2679738    1.2769265  0.00   -0.0009889    0.0007789    0.0016163
 H   -0.8932975   11.6177784    1.1047726  0.00    0.0013864    0.0004015    0.0030290
 H    0.8606707   11.6702170    1.1050465  0.00   -0.0003457   -0.0000008    0.0026879
 H   -0.0590010   13.0699699    0.5368527  0.00    0.0003230   -0.0010797    0.0016706
 C   -5.1307127   13.3023097    2.4133022  0.00   -0.0006750    0.0005905   -0.0001853
 C   -6.0249822   13.2808145    3.6582228  0.00    0.0001065    0.0009282   -0.0001693
 H   -5.5849900   12.6678904    4.4484296  0.00   -0.0003662   -0.0007314   -0.0002476
 H   -7.0036162   12.8630706    3.4092802  0.00   -0.0000328    0.0006304    0.0008671
 H   -6.1883918   14.2832992    4.0590375  0.00   -0.0011874    0.0000843    0.0008186
 C   -5.7732300   14.1940170    1.3438868  0.00    0.0004496   -0.0000057    0.0008747
 H   -5.9119597   15.2182090    1.6969863  0.00   -0.0006646   -0.0002372   -0.0007467
 H   -6.7563494   13.8021173    1.0713010  0.00    0.0005095    0.0024219   -0.0005616
 H   -5.1598309   14.2277408    0.4401504  0.00   -0.0001897   -0.0006197    0.0004368
 C   -5.0469809   11.8813331    1.8622722  0.00   -0.0000009   -0.0002365    0.0001909
 H   -4.4528489   11.8324123    0.9463149  0.00   -0.0015545   -0.0002934    0.0002787
 H   -6.0509927   11.5278049    1.6191040  0.00    0.0000275   -0.0008095   -0.0000189
 H   -4.6221791   11.1854490    2.5901365  0.00   -0.0019592    0.0004419   -0.0008020
 C    4.9924687   13.6039553    2.4276153  0.00   -0.0012726    0.0020819    0.0010175
 C    5.6004338   14.5462891    1.3819719  0.00   -0.0003557    0.0003727    0.0008286
 H    6.6046866   14.2091568    1.1138009  0.00    0.0010761    0.0014325   -0.0009054
 H    5.6856050   15.5692670    1.7550957  0.00    0.0003948   -0.0003728   -0.0001955
 H    4.9962206   14.5665099    0.4716576  0.00   -0.0005550   -0.0011156    0.0005160
 C    5.8693962   13.6106808    3.6852986  0.00   -0.0002257    0.0009452    0.0003888
 H    5.4549046   12.9582110    4.4574122  0.00   -0.0001530   -0.0005331   -0.0005167
 H    5.9675680   14.6131820    4.1071693  0.00    0.0006416   -0.0001289    0.0007106
 H    6.8741788   13.2553042    3.4438737  0.00    0.0008343    0.0002116    0.0000479
 C    4.9931183   12.1900111    1.8530434  0.00    0.0008552   -0.0002843    0.0000842
 H    4.6022499   11.4593610    2.5655104  0.00    0.0014333   -0.0000322   -0.0000580
 H    6.0173413   11.8971923    1.6138573  0.00    0.0010832   -0.0012562   -0.0005100
 H    4.4100992   12.1232821    0.9311509  0.00    0.0009279   -0.0001076   -0.0004151
 C   -3.1439107   17.9900958    4.2667293  0.00    0.0005639    0.0030703   -0.0020727
 C   -3.9150968   18.1664536    5.4400536  0.00    0.0001541    0.0003978    0.0028913
 C   -4.8041473   19.2355571    5.4982487  0.00   -0.0006436   -0.0012124    0.0018527
 H   -5.4056946   19.3744880    6.3884573  0.00   -0.0006538    0.0010917    0.0033958
 C   -4.9420338   20.1169455    4.4448351  0.00   -0.0011267   -0.0010832   -0.0023969
 H   -5.6416490   20.9421581    4.5131118  0.00    0.0012022   -0.0035972   -0.0014181
 C   -4.1847135   19.9443065    3.3005119  0.00    0.0004290    0.0008105   -0.0002937
 H   -4.3057717   20.6406898    2.4808911  0.00    0.0009879    0.0007672   -0.0020041
 C   -3.2823470   18.8932928    3.1796356  0.00    0.0028083    0.0002397    0.0016299
 C   -2.5363088   18.7138261    1.8713963  0.00   -0.0005114    0.0013744    0.0004099
 H   -1.5977872   18.1807009    2.0813957  0.00    0.0003516   -0.0018274    0.0018228
 C   -3.3335236   17.8368814    0.9021638  0.00    0.0015445   -0.0003581    0.0017522
 H   -3.5400827   16.8512228    1.3176689  0.00   -0.0001578   -0.0000980   -0.0015088
 H   -2.7813901   17.7051056   -0.0315267  0.00   -0.0010937    0.0000338    0.0021365
 H   -4.2874667   18.3147611    0.6638240  0.00    0.0001073    0.0001596    0.0001829
 C   -2.1870835   20.0338700    1.1914093  0.00    0.0015305   -0.0022007    0.0013097
 H   -3.0778597   20.5283735    0.7988218  0.00    0.0017379    0.0002468    0.0008351
 H   -1.5300905   19.8504979    0.3400765  0.00    0.0016774    0.0012588    0.0005543
 H   -1.6874833   20.7344246    1.8647666  0.00   -0.0000448   -0.0010479   -0.0004877
 C   -3.8511821   17.2168437    6.6157100  0.00   -0.0004735   -0.0002724   -0.0012592
 H   -2.9797288   16.5739034    6.4768686  0.00   -0.0006614   -0.0015251   -0.0008387
 C   -5.0841147   16.3128153    6.6592874  0.00   -0.0004757   -0.0006908   -0.0011988
 H   -5.9972645   16.9029415    6.7712766  0.00   -0.0001895    0.0022649   -0.0008519
 H   -5.0227868   15.6301726    7.5103327  0.00    0.0000610   -0.0002823   -0.0025629
 H   -5.1754828   15.7113116    5.7547812  0.00   -0.0003885   -0.0021210   -0.0000901
 C   -3.7037976   17.9504739    7.9482741  0.00   -0.0017882   -0.0012112   -0.0008560
 H   -2.8940594   18.6845768    7.9345354  0.00   -0.0000475   -0.0024823    0.0003193
 H   -3.5015031   17.2368480    8.7503009  0.00    0.0006401    0.0006854    0.0007147
 H   -4.6185059   18.4829630    8.2180604  0.00   -0.0006029   -0.0013935   -0.0001254
 C    2.7094647   18.1630054    4.2780980  0.00   -0.0005916    0.0029697   -0.0005172
 C    2.8127906   19.0208175    3.1529658  0.00   -0.0018223   -0.0009539    0.0008019
 C    3.6185501   20.1500055    3.2481870  0.00    0.0008517    0.0012363    0.0000618
 H    3.7141559   20.8099594    2.3946539  0.00   -0.0014060   -0.0001099   -0.0022638
 C    4.3103493   20.4445084    4.4087014  0.00   -0.0010585   -0.0022068   -0.0015231
 H    4.9319726   21.3309691    4.4606165  0.00   -0.0005479   -0.0028058   -0.0017554
 C    4.2131878   19.6016340    5.4989522  0.00   -0.0010179   -0.0031226    0.0007870
 H    4.7706831   19.8321171    6.3986301  0.00    0.0016601    0.0022622    0.0032702
 C    3.4286316   18.4528334    5.4626086  0.00    0.0004300    0.0016486    0.0010957
 C    3.4343109   17.5291820    6.6606015  0.00    0.0004632   -0.0008129   -0.0003419
 H    2.6141792   16.8190878    6.5361205  0.00    0.0014961   -0.0001611   -0.0017375
 C    4.7320029   16.7201172    6.7115291  0.00   -0.0002098   -0.0005953   -0.0013300
 H    4.8662162   16.1175378    5.8125647  0.00    0.0001751   -0.0013878    0.0006901
 H    4.7235907   16.0438801    7.5698927  0.00   -0.0002539    0.0007073   -0.0027621
 H    5.5985292   17.3784780    6.8138144  0.00   -0.0008225    0.0020888   -0.0011230
 C    3.2345947   18.2714809    7.9805463  0.00    0.0023732   -0.0009421   -0.0012918
 H    4.1028607   18.8830173    8.2358896  0.00   -0.0001707   -0.0009295   -0.0003791
 H    3.0973016   17.5572987    8.7957772  0.00   -0.0010872    0.0014637   -0.0000934
 H    2.3653105   18.9341724    7.9603218  0.00    0.0003046   -0.0024596    0.0005706
 C    2.1340321   18.7161333    1.8334658  0.00    0.0004144    0.0006257    0.0000315
 H    1.3559423   17.9646360    2.0157609  0.00   -0.0002714   -0.0009018    0.0011614
 C    1.4739295   19.9430937    1.2122993  0.00    0.0005369   -0.0011751   -0.0000886
 H    0.7909514   20.4431089    1.9037019  0.00   -0.0015394   -0.0000714    0.0001785
 H    0.9087023   19.6546738    0.3243163  0.00   -0.0023761   -0.0001606   -0.0004241
 H    2.2131201   20.6802654    0.8928219  0.00   -0.0011001   -0.0012341   -0.0000174
 C    3.1245476   18.0992294    0.8435309  0.00   -0.0003115   -0.0009290    0.0009848
 H    3.9333300   18.8014693    0.6255162  0.00    0.0002335    0.0008102    0.0004864
 H    2.6229077   17.8619412   -0.0976744  0.00    0.0002045    0.0000509    0.0011076
 H    3.5649790   17.1814200    1.2334118  0.00    0.0002705   -0.0003424   -0.0004573
 C   -0.1928060   16.9735312    7.1204285  0.00    0.0000793   -0.0024408   -0.0009503
 H    0.6607393   17.5218218    7.5568116  0.00   -0.0006883   -0.0015971   -0.0012282
 H   -1.0959675   17.4473255    7.5427953  0.00    0.0005610   -0.0020430   -0.0007920
 C    1.4385991   14.3430092    7.3153334  0.00   -0.0000309    0.0006180   -0.0002722
 H    1.5480731   14.2842051    6.2290715  0.00   -0.0014625    0.0024066    0.0011465
 H    1.4190635   13.3187592    7.6994061  0.00    0.0001307   -0.0007761    0.0001371
 H    2.3369526   14.8176319    7.7177173  0.00   -0.0008032    0.0010089   -0.0005426
 C   -0.1355823   15.3412976    9.7253193  0.00   -0.0000626    0.0019744   -0.0012772
 H    0.7249984   15.9044100   10.0965745  0.00   -0.0012705    0.0010306    0.0008514
 H   -0.1000453   14.3465453   10.1786245  0.00    0.0003226   -0.0007469   -0.0043729
 H   -1.0384476   15.8384334   10.0903060  0.00    0.0012912    0.0011770    0.0008810
 C   -1.6100493   14.2229570    7.3052213  0.00   -0.0000642    0.0009021   -0.0001353
 H   -2.5444523   14.6237898    7.7057063  0.00    0.0002096    0.0009252   -0.0004433
 H   -1.5116414   13.2017687    7.6854401  0.00    0.0006285    0.0002309   -0.0002056
 H   -1.7103841   14.1605388    6.2183662  0.00    0.0013049    0.0018647    0.0002867
129
 Energy =   -2867.2896575360
 O   -0.1338932   15.5469827    3.8345972  0.00    0.0031154    0.0013284    0.0005656
Th   -0.2013736   17.7591277    4.8634434  0.00    0.0012393    0.0013772   -0.0015181
Si   -0.1248117   15.2331505    7.8508665  0.00   -0.0003729    0.0003209    0.0018562
 N   -2.1723748   16.9515707    4.1861384  0.00    0.0007796   -0.0019879   -0.0007325
 N    1.8192667   17.0538806    4.2241707  0.00   -0.0002957    0.0009743   -0.0012458
 C   -2.5912013   13.1356694    2.5947525  0.00    0.0020487   -0.0003794   -0.0003436
 H   -2.6526861   12.1384704    2.1837347  0.00    0.0018820   -0.0031122   -0.0012660
 C   -3.7584831   13.8633944    2.7816536  0.00   -0.0015137    0.0013246    0.0008328
 C   -3.6673179   15.1553852    3.3141502  0.00   -0.0015071    0.0017874    0.0023279
 H   -4.5569234   15.7578227    3.4526097  0.00    0.0014852    0.0015940    0.0001475
 C   -2.4382493   15.6934292    3.6561235  0.00    0.0018870   -0.0011428   -0.0019102
 C    2.1592115   15.8239511    3.6725656  0.00    0.0029729    0.0014864   -0.0005320
 C    3.4187480   15.3644350    3.3275121  0.00   -0.0006634   -0.0000553    0.0015252
 H    4.2713456   16.0156525    3.4785293  0.00   -0.0015668    0.0020024    0.0003876
 C    3.5874184   14.0832433    2.7878325  0.00   -0.0060182   -0.0008660    0.0013818
 C    2.4655120   13.2877863    2.5963078  0.00    0.0021921   -0.0007211   -0.0006804
 H    2.5874465   12.2973684    2.1818085  0.00   -0.0027025    0.0005253    0.0001779
 C   -0.0519829   12.8323599    2.7043534  0.00    0.0018138    0.0010916    0.0002395
 C   -1.3256493   13.6398178    2.9177319  0.00    0.0013560    0.0007216    0.0017799
 C   -1.3068558   14.9023257    3.4517454  0.00   -0.0029414    0.0031246   -0.0010559
 C    1.0761279   14.9711223    3.4567549  0.00   -0.0031693    0.0002016   -0.0010365
 C    1.1712507   13.7138689    2.9188719  0.00   -0.0012617    0.0012415   -0.0001170
 C   -0.0173851   11.6746472    3.7156017  0.00    0.0006967   -0.0000362   -0.0013226
 H   -0.0288684   12.0491015    4.7410833  0.00   -0.0001137   -0.0031015    0.0004287
 H    0.8858444   11.0758889    3.5805335  0.00   -0.0009932    0.0017342   -0.0005340
 H   -0.8827565   11.0225286    3.5800576  0.00    0.0001085    0.0012189   -0.0002720
 C   -0.0350045   12.2680617    1.2774561  0.00    0.0007896   -0.0011069    0.0026279
 H   -0.8933183   11.6177593    1.1056048  0.00    0.0009484    0.0005947    0.0019456
 H    0.8606768   11.6701322    1.1058883  0.00   -0.0017835    0.0014219    0.0020322
 H   -0.0590270   13.0701960    0.5375739  0.00    0.0002752   -0.0014246    0.0008366
 C   -5.1313592   13.3028836    2.4135104  0.00   -0.0001491    0.0008815   -0.0000594
 C   -6.0255593   13.2813806    3.6586018  0.00    0.0010348   -0.0000285    0.0000148
 H   -5.5855273   12.6676203    4.4482809  0.00   -0.0013460    0.0004480   -0.0010979
 H   -7.0045240   12.8642154    3.4097993  0.00    0.0007032    0.0010409    0.0005956
 H   -6.1883138   14.2836764    4.0601916  0.00   -0.0009717   -0.0001135    0.0003138
 C   -5.7732367   14.1948610    1.3438706  0.00    0.0007274   -0.0002870    0.0003611
 H   -5.9112659   15.2192721    1.6965707  0.00   -0.0006921   -0.0002108   -0.0005004
 H   -6.7565940   13.8036312    1.0710461  0.00    0.0010122    0.0023944    0.0000532
 H   -5.1595392   14.2278111    0.4402232  0.00   -0.0009943   -0.0003814    0.0012463
 C   -5.0482738   11.8819896    1.8623513  0.00   -0.0015314   -0.0001656   -0.0000379
 H   -4.4542861   11.8326818    0.9464080  0.00   -0.0006052   -0.0000048   -0.0005779
 H   -6.0525078   11.5291664    1.6191367  0.00   -0.0001589   -0.0012304   -0.0000994
 H   -4.6240617   11.1858090    2.5901191  0.00   -0.0010155   -0.0006040    0.0003157
 C    4.9929710   13.6045544    2.4279207  0.00   -0.0024491    0.0021990    0.0014374
 C    5.6002545   14.5471357    1.3820553  0.00   -0.0004772   -0.0015889    0.0001946
 H    6.6046970   14.2105065    1.1138314  0.00    0.0006834    0.0019768   -0.0007231
 H    5.6846403   15.5702631    1.7547499  0.00    0.0007180    0.0004911    0.0002894
 H    4.9957680   14.5664583    0.4718119  0.00    0.0004528   -0.0007820    0.0013636
 C    5.8697144   13.6112146    3.6857977  0.00   -0.0006220   -0.0009121   -0.0004374
 H    5.4553357   12.9577787    4.4572401  0.00    0.0003668    0.0003814   -0.0008387
 H    5.9671756   14.6133553    4.1085134  0.00    0.0005772    0.0009605    0.0007580
 H    6.8747460   13.2565104    3.4444193  0.00    0.0009450    0.0004395   -0.0000559
 C    4.9942398   12.1906583    1.8532348  0.00    0.0003090    0.0004300    0.0002002
 H    4.6037875   11.4597797    2.5657023  0.00    0.0014422   -0.0000702   -0.0003423
 H    6.0187115   11.8987229    1.6142123  0.00    0.0013897   -0.0023611   -0.0009389
 H    4.4113572   12.1236628    0.9312362  0.00    0.0012169   -0.0000507    0.0001826
 C   -3.1438965   17.9898083    4.2668040  0.00   -0.0016008    0.0043754    0.0011026
 C   -3.9155457   18.1659477    5.4399572  0.00    0.0022767   -0.0014408    0.0002266
 C   -4.8044333   19.2351008    5.4980048  0.00    0.0004800   -0.0012744    0.0017343
 H   -5.4059458   19.3735860    6.3882267  0.00   -0.0021695    0.0025581    0.0036130
 C   -4.9415497   20.1168873    4.4447933  0.00   -0.0008770   -0.0011912   -0.0018438
 H   -5.6405877   20.9424711    4.5132027  0.00   -0.0001253   -0.0025765   -0.0014174
 C   -4.1839896   19.9443316    3.3006250  0.00    0.0016665    0.0010840    0.0003214
 H   -4.3038602   20.6411766    2.4812712  0.00   -0.0005652    0.0011851   -0.0021850
 C   -3.2819012   18.8931327    3.1797935  0.00    0.0033034   -0.0026414    0.0024905
 C   -2.5356803   18.7134708    1.8717140  0.00   -0.0010807    0.0002353    0.0023447
 H   -1.5972293   18.1798825    2.0816985  0.00   -0.0018182   -0.0001387    0.0011951
 C   -3.3331666   17.8370092    0.9022412  0.00    0.0002623    0.0009135    0.0010315
 H   -3.5390404   16.8508469    1.3167935  0.00   -0.0002314   -0.0004855   -0.0010910
 H   -2.7815521   17.7065777   -0.0319007  0.00   -0.0007094   -0.0005341    0.0016364
 H   -4.2875554   18.3146822    0.6648368  0.00    0.0016653   -0.0002680    0.0007585
 C   -2.1864604   20.0334783    1.1919829  0.00    0.0024642   -0.0018149   -0.0015512
 H   -3.0770802   20.5280233    0.7990148  0.00    0.0020392   -0.0002224    0.0010986
 H   -1.5293029   19.8497992    0.3409377  0.00    0.0021867    0.0016995   -0.0010482
 H   -1.6867650   20.7342206    1.8648988  0.00    0.0002162   -0.0005469    0.0016429
 C   -3.8521423   17.2159355    6.6153787  0.00    0.0006668   -0.0013242   -0.0022687
 H   -2.9808232   16.5725230    6.4764547  0.00   -0.0029942    0.0007639   -0.0002459
 C   -5.0854283   16.3123324    6.6585652  0.00   -0.0012813    0.0005063   -0.0015670
 H   -5.9986789   16.9025741    6.7703110  0.00    0.0017483    0.0016548   -0.0013062
 H   -5.0246582   15.6295405    7.5095398  0.00    0.0004797   -0.0002824   -0.0028966
 H   -5.1762874   15.7112356    5.7538014  0.00   -0.0014371   -0.0033601   -0.0000614
 C   -3.7049995   17.9490775    7.9480926  0.00   -0.0006634   -0.0010082   -0.0000628
 H   -2.8945092   18.6823094    7.9352913  0.00   -0.0000672   -0.0016336   -0.0001218
 H   -3.5037912   17.2350105    8.7499568  0.00    0.0003825    0.0004787    0.0014224
 H   -4.6194385   18.4822829    8.2173243  0.00   -0.0006064   -0.0013649    0.0003831
 C    2.7095211   18.1627190    4.2779138  0.00   -0.0018545    0.0025991   -0.0015937
 C    2.8122893   19.0206643    3.1528313  0.00    0.0002880    0.0014512    0.0009265
 C    3.6176732   20.1502675    3.2478844  0.00   -0.0002467    0.0003394    0.0021128
 H    3.7118505   20.8108887    2.3945404  0.00   -0.0002458   -0.0018440   -0.0000899
 C    4.3100371   20.4444634    4.4082775  0.00   -0.0018300   -0.0010282   -0.0022651
 H    4.9310898   21.3314024    4.4602374  0.00   -0.0007501   -0.0041492   -0.0015767
 C    4.2136818   19.6011140    5.4983410  0.00    0.0006916   -0.0003321    0.0006095
 H    4.7716755   19.8312483    6.3979913  0.00    0.0002462    0.0021547    0.0006683
 C    3.4291080   18.4524022    5.4620464  0.00    0.0021672    0.0013543    0.0036359
 C    3.4352563   17.5287528    6.6600319  0.00   -0.0004754   -0.0028544    0.0000143
 H    2.6153453   16.8183340    6.5355547  0.00    0.0015774    0.0005421   -0.0015849
 C    4.7330849   16.7199041    6.7109682  0.00    0.0016378    0.0023922   -0.0010870
 H    4.8667733   16.1172619    5.8120780  0.00    0.0012283   -0.0029023   -0.0000806
 H    4.7253385   16.0440113    7.5696125  0.00   -0.0010523    0.0006679   -0.0029746
 H    5.5996791   17.3785087    6.8126728  0.00   -0.0026315    0.0007224   -0.0016476
 C    3.2355151   18.2707903    7.9800193  0.00    0.0013387    0.0007561   -0.0009637
 H    4.1037495   18.8825252    8.2351482  0.00   -0.0008621   -0.0013527    0.0002256
 H    3.0983251   17.5564698    8.7951306  0.00   -0.0005570    0.0013911    0.0002154
 H    2.3659827   18.9332356    7.9600957  0.00    0.0011456   -0.0024274    0.0002265
 C    2.1336676   18.7157459    1.8334135  0.00    0.0016114    0.0013634    0.0005184
 H    1.3558650   17.9639074    2.0157385  0.00   -0.0004927   -0.0001618    0.0005543
 C    1.4736074   19.9425982    1.2119696  0.00   -0.0023443   -0.0029573   -0.0009790
 H    0.7896911   20.4424518    1.9026757  0.00    0.0001046   -0.0007453    0.0001066
 H    0.9089541   19.6534085    0.3238219  0.00   -0.0020741    0.0011179   -0.0005269
 H    2.2126546   20.6799758    0.8926177  0.00   -0.0013513   -0.0015276    0.0000976
 C    3.1246548   18.0990639    0.8437483  0.00   -0.0007197    0.0010624    0.0000440
 H    3.9334522   18.8014353    0.6259780  0.00   -0.0005189    0.0005872    0.0008933
 H    2.6232565   17.8619661   -0.0976352  0.00    0.0004047   -0.0005465    0.0011596
 H    3.5651592   17.1814156    1.2337392  0.00    0.0003932   -0.0016367   -0.0004270
 C   -0.1927647   16.9743724    7.1204555  0.00   -0.0006329   -0.0020630   -0.0021387
 H    0.6609327   17.5226492    7.5565408  0.00   -0.0009198   -0.0018978   -0.0006637
 H   -1.0960439   17.4481811    7.5426898  0.00    0.0016405   -0.0027586   -0.0007580
 C    1.4391282   14.3437621    7.3150437  0.00   -0.0021547    0.0002047    0.0008115
 H    1.5485647   14.2842696    6.2288894  0.00   -0.0007178    0.0020702    0.0000409
 H    1.4192498   13.3197491    7.6999318  0.00    0.0010127    0.0001540   -0.0005258
 H    2.3373468   14.8188554    7.7172979  0.00   -0.0016326    0.0002793   -0.0005911
 C   -0.1356189   15.3412801    9.7242681  0.00    0.0000310    0.0013999    0.0017279
 H    0.7246446   15.9041733   10.0963278  0.00    0.0005195    0.0018308    0.0004381
 H   -0.0999973   14.3463710   10.1770791  0.00    0.0004563   -0.0020247   -0.0039540
 H   -1.0383530   15.8379601   10.0899838  0.00   -0.0003206    0.0018340    0.0000369
 C   -1.6103268   14.2235380    7.3050745  0.00    0.0014161    0.0013964   -0.0004325
 H   -2.5446440   14.6249811    7.7054279  0.00    0.0019545   -0.0000807   -0.0009983
 H   -1.5117400   13.2026136    7.6861300  0.00   -0.0001312    0.0010470   -0.0008155
 H   -1.7104797   14.1604583    6.2182388  0.00    0.0004066    0.0013957    0.0005616
129
 Energy =   -2867.2896630620
 O   -0.1338282   15.5468188    3.8350517  0.00    0.0012645    0.0009918   -0.0002142
Th   -0.2013043   17.7592613    4.8632923  0.00    0.0006306    0.0018775   -0.0015704
Si   -0.1247481   15.2335239    7.8503245  0.00   -0.0003973    0.0012417    0.0025806
 N   -2.1724087   16.9514673    4.1864332  0.00    0.0005009   -0.0006493   -0.0001879
 N    1.8192217   17.0538958    4.2242481  0.00   -0.0000066    0.0011384   -0.0007638
 C   -2.5914946   13.1355283    2.5951072  0.00    0.0021871    0.0007336    0.0000979
 H   -2.6532989   12.1383065    2.1839671  0.00    0.0025317   -0.0017272   -0.0006029
 C   -3.7587263   13.8634841    2.7819434  0.00   -0.0013243    0.0007728    0.0008837
 C   -3.6675261   15.1554316    3.3145698  0.00    0.0007793    0.0011821    0.0010088
 H   -4.5569940   15.7581411    3.4527048  0.00    0.0010119    0.0015578    0.0004511
 C   -2.4383540   15.6933448    3.6565403  0.00    0.0014501   -0.0009483   -0.0014495
 C    2.1592609   15.8239014    3.6729889  0.00    0.0019669    0.0017246   -0.0004632
 C    3.4188156   15.3645342    3.3280013  0.00   -0.0015746   -0.0003770    0.0002689
 H    4.2714018   16.0157932    3.4787392  0.00   -0.0016553    0.0021189    0.0006584
 C    3.5874585   14.0833771    2.7882544  0.00   -0.0039900   -0.0011296    0.0010280
 C    2.4657181   13.2876987    2.5966332  0.00    0.0015148    0.0008151   -0.0000407
 H    2.5880535   12.2973597    2.1821003  0.00   -0.0032857    0.0000613   -0.0000092
 C   -0.0519948   12.8324167    2.7047215  0.00    0.0013700    0.0009396    0.0009172
 C   -1.3258259   13.6397215    2.9181721  0.00    0.0006572    0.0000240    0.0005360
 C   -1.3069681   14.9022211    3.4522141  0.00   -0.0008546    0.0015160   -0.0007965
 C    1.0762222   14.9710182    3.4571623  0.00   -0.0023631   -0.0006833   -0.0010515
 C    1.1713944   13.7137838    2.9192021  0.00   -0.0019219    0.0011908    0.0002468
 C   -0.0173631   11.6746050    3.7156942  0.00    0.0001992    0.0003213    0.0007054
 H   -0.0288447   12.0487829    4.7412846  0.00   -0.0000186   -0.0030866    0.0002099
 H    0.8857444   11.0758438    3.5804937  0.00    0.0003582    0.0011551   -0.0006473
 H   -0.8826663   11.0225148    3.5800679  0.00   -0.0008175    0.0007446   -0.0003639
 C   -0.0350129   12.2680370    1.2780072  0.00    0.0000126    0.0007578    0.0012807
 H   -0.8932953   11.6177206    1.1063722  0.00    0.0002957    0.0003090    0.0013103
 H    0.8605902   11.6700892    1.1066590  0.00   -0.0004758    0.0008015    0.0013439
 H   -0.0590350   13.0702130    0.5380983  0.00    0.0003132   -0.0025140    0.0010350
 C   -5.1317971   13.3033770    2.4136887  0.00    0.0000794    0.0003768    0.0001488
 C   -6.0259173   13.2818140    3.6588721  0.00    0.0004600    0.0012047   -0.0004737
 H   -5.5859816   12.6675396    4.4481628  0.00   -0.0010730    0.0003072   -0.0005633
 H   -7.0050743   12.8650622    3.4101566  0.00    0.0006625    0.0010265    0.0001987
 H   -6.1883926   14.2840006    4.0609644  0.00   -0.0004287   -0.0006631   -0.0000126
 C   -5.7731721   14.1954959    1.3439053  0.00    0.0004144    0.0006332    0.0009257
 H   -5.9108626   15.2200459    1.6963225  0.00   -0.0003345   -0.0000319   -0.0003110
 H   -6.7566424   13.8048112    1.0708955  0.00    0.0003187    0.0017547    0.0001624
 H   -5.1593409   14.2279597    0.4403656  0.00   -0.0005824   -0.0002614    0.0008362
 C   -5.0493230   11.8825199    1.8624184  0.00   -0.0007089   -0.0005429   -0.0001851
 H   -4.4554435   11.8328781    0.9464244  0.00   -0.0003208    0.0002215   -0.0004387
 H   -6.0536918   11.5302360    1.6192014  0.00   -0.0010183   -0.0014660   -0.0003242
 H   -4.6255758   11.1860279    2.5901203  0.00   -0.0005671   -0.0007539    0.0005851
 C    4.9931499   13.6051104    2.4282396  0.00   -0.0012305    0.0004160    0.0006618
 C    5.6000646   14.5477180    1.3821660  0.00   -0.0006376    0.0000606    0.0013257
 H    6.6046360   14.2115561    1.1138488  0.00    0.0006590    0.0017395   -0.0004928
 H    5.6840321   15.5710243    1.7546079  0.00    0.0005690   -0.0002614   -0.0000755
 H    4.9954110   14.5665122    0.4720311  0.00    0.0004812   -0.0006613    0.0011352
 C    5.8698942   13.6116058    3.6861371  0.00   -0.0003560    0.0008833   -0.0002336
 H    5.4556406   12.9575940    4.4571354  0.00    0.0003498    0.0003089   -0.0004760
 H    5.9669797   14.6136035    4.1094504  0.00    0.0002417   -0.0001204    0.0002764
 H    6.8751148   13.2573863    3.4447771  0.00    0.0006988    0.0005691   -0.0003109
 C    4.9951196   12.1912243    1.8534031  0.00    0.0005786    0.0003283    0.0002457
 H    4.6050988   11.4600758    2.5658256  0.00    0.0011413   -0.0001642   -0.0004123
 H    6.0198431   11.8998893    1.6144735  0.00    0.0005160   -0.0021980   -0.0008051
 H    4.4124284   12.1239388    0.9312923  0.00    0.0010449    0.0000156    0.0004308
 C   -3.1439324   17.9897537    4.2669785  0.00    0.0005906    0.0005512    0.0002768
 C   -3.9158653   18.1655659    5.4398926  0.00   -0.0003860    0.0008321    0.0006669
 C   -4.8048234   19.2347262    5.4978748  0.00    0.0011800   -0.0022482    0.0019050
 H   -5.4065021   19.3729405    6.3881379  0.00   -0.0016313    0.0029361    0.0017496
 C   -4.9414408   20.1166724    4.4447059  0.00    0.0005647   -0.0006007   -0.0019224
 H   -5.6401658   20.9424076    4.5130777  0.00   -0.0011853   -0.0015673   -0.0012575
 C   -4.1834910   19.9443644    3.3006920  0.00    0.0007707    0.0017341    0.0008345
 H   -4.3027821   20.6414601    2.4813572  0.00   -0.0009145    0.0003415   -0.0006119
 C   -3.2815554   18.8930650    3.1799942  0.00    0.0020319   -0.0017063    0.0028423
 C   -2.5353544   18.7132287    1.8720824  0.00   -0.0006979    0.0007700    0.0008290
 H   -1.5969978   18.1793765    2.0820037  0.00   -0.0020985    0.0001221    0.0009850
 C   -3.3331057   17.8371845    0.9024852  0.00    0.0010741   -0.0023443    0.0017528
 H   -3.5384645   16.8505425    1.3163819  0.00   -0.0000577    0.0006961   -0.0011479
 H   -2.7819530   17.7074668   -0.0319717  0.00   -0.0000953   -0.0003929    0.0009153
 H   -4.2876910   18.3145721    0.6657710  0.00    0.0002392    0.0008129    0.0007824
 C   -2.1860875   20.0331223    1.1922300  0.00    0.0029129   -0.0004160   -0.0006417
 H   -3.0766270   20.5277130    0.7991423  0.00    0.0019325   -0.0005966    0.0008700
 H   -1.5288671   19.8493302    0.3413561  0.00    0.0027738    0.0014176   -0.0022868
 H   -1.6863928   20.7341186    1.8648895  0.00    0.0001373   -0.0009676    0.0021647
 C   -3.8529316   17.2152649    6.6149984  0.00    0.0000939   -0.0012259   -0.0003791
 H   -2.9818029   16.5715724    6.4760993  0.00   -0.0028700    0.0009001   -0.0002771
 C   -5.0865622   16.3121253    6.6578144  0.00   -0.0003024   -0.0008768   -0.0031059
 H   -5.9996916   16.9025418    6.7694306  0.00    0.0015271    0.0018574   -0.0014892
 H   -5.0261562   15.6290555    7.5085729  0.00    0.0005012   -0.0002142   -0.0025275
 H   -5.1770898   15.7111991    5.7528515  0.00   -0.0021468   -0.0030588    0.0005028
 C   -3.7060223   17.9479832    7.9479446  0.00   -0.0005683   -0.0010888    0.0003798
 H   -2.8949929   18.6805641    7.9359448  0.00    0.0002299   -0.0008124   -0.0005466
 H   -3.5056435   17.2336182    8.7497357  0.00   -0.0000066    0.0001000    0.0015563
 H   -4.6203166   18.4816845    8.2167726  0.00   -0.0000701   -0.0014560    0.0004715
 C    2.7095381   18.1626998    4.2778407  0.00   -0.0003805    0.0025865   -0.0005540
 C    2.8120178   19.0206486    3.1527790  0.00    0.0000633    0.0012966    0.0019039
 C    3.6171639   20.1504325    3.2477063  0.00   -0.0011490    0.0000562    0.0014004
 H    3.7104697   20.8113130    2.3943600  0.00    0.0004954   -0.0023761    0.0015549
 C    4.3099695   20.4443121    4.4078841  0.00   -0.0019220   -0.0007810   -0.0008634
 H    4.9307678   21.3313314    4.4597430  0.00    0.0002999   -0.0027675   -0.0012418
 C    4.2142819   19.6007581    5.4979305  0.00    0.0006897   -0.0000374   -0.0002104
 H    4.7726841   19.8306436    6.3974716  0.00   -0.0001704    0.0023856   -0.0006000
 C    3.4295847   18.4521533    5.4617722  0.00    0.0012634    0.0006479    0.0018886
 C    3.4359814   17.5283262    6.6595779  0.00    0.0019206    0.0004904    0.0008773
 H    2.6163535   16.8178679    6.5350620  0.00   -0.0003115   -0.0012232   -0.0014720
 C    4.7340872   16.7199728    6.7103615  0.00   -0.0006312   -0.0007000   -0.0025005
 H    4.8673816   16.1171418    5.8114890  0.00    0.0019471   -0.0023747    0.0007048
 H    4.7267199   16.0441050    7.5690180  0.00   -0.0010110    0.0008892   -0.0026947
 H    5.6004682   17.3787014    6.8116953  0.00   -0.0010289    0.0019085   -0.0017123
 C    3.2363728   18.2703091    7.9796334  0.00    0.0009199   -0.0015382   -0.0006556
 H    4.1045588   18.8821017    8.2345969  0.00   -0.0005460   -0.0009475    0.0005820
 H    3.0993250   17.5558618    8.7946628  0.00    0.0000204    0.0014564    0.0003094
 H    2.3666933   18.9323869    7.9600904  0.00    0.0000990   -0.0009207   -0.0002737
 C    2.1335918   18.7155014    1.8334341  0.00   -0.0004773    0.0002979    0.0004587
 H    1.3559224   17.9633846    2.0157658  0.00    0.0006100    0.0011370   -0.0000515
 C    1.4733678   19.9420773    1.2116292  0.00   -0.0010325   -0.0016693   -0.0009449
 H    0.7889148   20.4419345    1.9018073  0.00    0.0004159   -0.0010949    0.0004142
 H    0.9092369   19.6524905    0.3233428  0.00   -0.0024920    0.0010856   -0.0014893
 H    2.2124122   20.6796597    0.8924231  0.00   -0.0026000   -0.0025670    0.0003855
 C    3.1249248   18.0990277    0.8440200  0.00    0.0000425   -0.0012897    0.0010664
 H    3.9336680   18.8014709    0.6264857  0.00   -0.0001144    0.0011525    0.0008020
 H    2.6238300   17.8618415   -0.0974563  0.00    0.0001339   -0.0006986    0.0005960
 H    3.5655349   17.1813737    1.2341696  0.00   -0.0004258   -0.0000918   -0.0012329
 C   -0.1927394   16.9748664    7.1203891  0.00   -0.0002763   -0.0020293   -0.0029048
 H    0.6610028   17.5230100    7.5564496  0.00   -0.0007072   -0.0017677   -0.0004669
 H   -1.0959939   17.4485248    7.5427587  0.00    0.0012206   -0.0025161   -0.0006820
 C    1.4393778   14.3442302    7.3149049  0.00   -0.0025621    0.0004229    0.0004018
 H    1.5487944   14.2843382    6.2287887  0.00   -0.0004830    0.0016207    0.0001155
 H    1.4194101   13.3204027    7.7003346  0.00    0.0014512    0.0003927   -0.0007934
 H    2.3375212   14.8196811    7.7169657  0.00   -0.0022574   -0.0001761   -0.0005353
 C   -0.1356297   15.3412609    9.7236017  0.00   -0.0000692    0.0016793    0.0027799
 H    0.7244409   15.9040068   10.0961915  0.00    0.0015114    0.0019349    0.0002623
 H   -0.0999239   14.3460774   10.1756685  0.00    0.0005210   -0.0028362   -0.0028882
 H   -1.0383043   15.8376272   10.0898113  0.00   -0.0011168    0.0017748   -0.0003882
 C   -1.6104144   14.2239215    7.3049835  0.00    0.0019493    0.0015090   -0.0005204
 H   -2.5446989   14.6257087    7.7051735  0.00    0.0026161   -0.0004016   -0.0011665
 H   -1.5117294   13.2032175    7.6866379  0.00   -0.0005699    0.0011436   -0.0010604
 H   -1.7104426   14.1603652    6.2181851  0.00   -0.0000725    0.0010070    0.0003108
129
 Energy =   -2867.2896692160
 O   -0.1337178   15.5465624    3.8358890  0.00   -0.0021928    0.0005972   -0.0009684
Th   -0.2011693   17.7596603    4.8630609  0.00   -0.0025580    0.0015875   -0.0014983
Si   -0.1246374   15.2343343    7.8495089  0.00   -0.0003215    0.0017666    0.0033452
 N   -2.1724031   16.9512612    4.1870890  0.00    0.0025881   -0.0013306   -0.0012592
 N    1.8190825   17.0539419    4.2244727  0.00    0.0020419    0.0026507    0.0001389
 C   -2.5919422   13.1352979    2.5958566  0.00    0.0008498    0.0011632   -0.0005542
 H   -2.6542557   12.1379633    2.1845062  0.00    0.0035864    0.0011938    0.0006872
 C   -3.7591549   13.8636598    2.7825545  0.00   -0.0002669   -0.0010865    0.0014535
 C   -3.6677498   15.1554783    3.3153806  0.00    0.0018997    0.0044584   -0.0002121
 H   -4.5569666   15.7589017    3.4529364  0.00    0.0027516   -0.0008127    0.0004504
 C   -2.4384214   15.6931612    3.6573599  0.00    0.0006754   -0.0004291   -0.0003426
 C    2.1592846   15.8238260    3.6738466  0.00   -0.0013395    0.0015305   -0.0016897
 C    3.4187699   15.3647405    3.3289533  0.00   -0.0002036   -0.0041529   -0.0017370
 H    4.2712353   16.0161822    3.4792029  0.00   -0.0008010    0.0025716    0.0012482
 C    3.5874385   14.0835793    2.7891141  0.00   -0.0005270   -0.0006630   -0.0001074
 C    2.4660364   13.2875493    2.5973156  0.00   -0.0007335    0.0030202    0.0012418
 H    2.5889516   12.2973079    2.1827352  0.00   -0.0041650    0.0000328   -0.0000290
 C   -0.0520122   12.8325192    2.7055148  0.00    0.0003330    0.0000362    0.0013329
 C   -1.3261161   13.6394978    2.9190365  0.00    0.0014477    0.0005424    0.0005958
 C   -1.3070849   14.9020163    3.4531437  0.00   -0.0010954    0.0003847   -0.0017881
 C    1.0762879   14.9707985    3.4579639  0.00   -0.0014406    0.0000365   -0.0007666
 C    1.1715444   13.7136450    2.9199017  0.00   -0.0007650    0.0006238    0.0005584
 C   -0.0173449   11.6745866    3.7160815  0.00    0.0001528   -0.0007654    0.0010828
 H   -0.0288091   12.0483446    4.7417175  0.00    0.0000810   -0.0024627    0.0018982
 H    0.8856420   11.0758334    3.5805851  0.00    0.0013352    0.0006460   -0.0004577
 H   -0.8825981   11.0225619    3.5802557  0.00   -0.0016935    0.0001837   -0.0003327
 C   -0.0350703   12.2681733    1.2790649  0.00    0.0002422    0.0000327    0.0005924
 H   -0.8932795   11.6177868    1.1077565  0.00   -0.0007022   -0.0000469    0.0003168
 H    0.8604542   11.6701413    1.1080435  0.00    0.0004171    0.0005245    0.0003788
 H   -0.0590512   13.0703207    0.5392311  0.00    0.0002084   -0.0022512   -0.0003378
 C   -5.1325951   13.3043743    2.4140424  0.00    0.0006767   -0.0003592    0.0003900
 C   -6.0266178   13.2828226    3.6593329  0.00   -0.0003875    0.0011615   -0.0006413
 H   -5.5869764   12.6675164    4.4479435  0.00   -0.0006135    0.0006534    0.0001927
 H   -7.0061319   12.8668575    3.4107886  0.00    0.0005456    0.0007115   -0.0007780
 H   -6.1885798   14.2846887    4.0623977  0.00    0.0003025   -0.0003097   -0.0005862
 C   -5.7730252   14.1968636    1.3440604  0.00   -0.0004066    0.0012675    0.0007496
 H   -5.9100951   15.2216331    1.6959286  0.00    0.0002009    0.0005877    0.0004281
 H   -6.7567358   13.8072213    1.0706580  0.00   -0.0004243    0.0004294    0.0006184
 H   -5.1589952   14.2283905    0.4406720  0.00    0.0000132    0.0003053    0.0004170
 C   -5.0512776   11.8835597    1.8625343  0.00   -0.0008162   -0.0012824   -0.0003486
 H   -4.4575874   11.8333139    0.9464536  0.00    0.0003253    0.0006592   -0.0002301
 H   -6.0559842   11.5322674    1.6192582  0.00   -0.0010331   -0.0014923   -0.0003182
 H   -4.6284396   11.1864727    2.5901533  0.00    0.0004036   -0.0008435    0.0008946
 C    4.9934481   13.6061766    2.4288618  0.00    0.0004524   -0.0012638    0.0000630
 C    5.5996360   14.5489901    1.3825173  0.00   -0.0002203    0.0003474    0.0014190
 H    6.6045024   14.2137378    1.1139445  0.00   -0.0003507    0.0012483    0.0003273
 H    5.6828523   15.5725364    1.7544315  0.00    0.0004024    0.0000215    0.0002269
 H    4.9947325   14.5667388    0.4725307  0.00    0.0006340    0.0000651    0.0009873
 C    5.8702305   13.6125521    3.6867814  0.00    0.0003845    0.0008181   -0.0004789
 H    5.4563100   12.9573794    4.4569565  0.00    0.0003890    0.0007617    0.0002994
 H    5.9666106   14.6141609    4.1112049  0.00   -0.0001468    0.0000220   -0.0002260
 H    6.8758422   13.2592523    3.4454234  0.00   -0.0004129    0.0007494   -0.0007133
 C    4.9967742   12.1923661    1.8537493  0.00    0.0010191   -0.0004297   -0.0000341
 H    4.6075725   11.4606920    2.5660532  0.00    0.0004434   -0.0002872   -0.0004307
 H    6.0219310   11.9020784    1.6149241  0.00   -0.0011034   -0.0017730   -0.0004277
 H    4.4144210   12.1245176    0.9314502  0.00    0.0006912    0.0002742    0.0009622
 C   -3.1438251   17.9894761    4.2672772  0.00   -0.0020144    0.0019563    0.0040527
 C   -3.9165188   18.1648762    5.4398533  0.00    0.0025286   -0.0020829   -0.0024454
 C   -4.8054683   19.2338561    5.4976695  0.00    0.0005570    0.0015769    0.0002267
 H   -5.4075963   19.3716726    6.3878502  0.00   -0.0010474    0.0037147   -0.0007455
 C   -4.9410529   20.1162650    4.4444995  0.00    0.0004476   -0.0008621    0.0016868
 H   -5.6393144   20.9422488    4.5128519  0.00   -0.0031136   -0.0000967   -0.0010508
 C   -4.1824465   19.9445186    3.3009019  0.00    0.0017539   -0.0000179    0.0009377
 H   -4.3006588   20.6420179    2.4816301  0.00   -0.0019730   -0.0005388    0.0012587
 C   -3.2807236   18.8929234    3.1805490  0.00    0.0002711   -0.0011023    0.0016035
 C   -2.5346925   18.7128358    1.8727587  0.00    0.0012200   -0.0007834    0.0007608
 H   -1.5965035   18.1784721    2.0825737  0.00   -0.0030552    0.0014045    0.0001939
 C   -3.3329041   17.8372870    0.9031637  0.00    0.0001090   -0.0026352    0.0005005
 H   -3.5373012   16.8499464    1.3157339  0.00   -0.0002128    0.0005879    0.0001709
 H   -2.7827623   17.7091011   -0.0320260  0.00    0.0009606   -0.0008116    0.0002493
 H   -4.2879919   18.3143423    0.6678391  0.00    0.0002960    0.0010065    0.0008972
 C   -2.1853639   20.0324759    1.1926324  0.00    0.0026090    0.0015945   -0.0013184
 H   -3.0759549   20.5268858    0.7993480  0.00    0.0023756   -0.0009992    0.0006402
 H   -1.5280774   19.8485162    0.3419076  0.00    0.0029778    0.0012452   -0.0029874
 H   -1.6858643   20.7340409    1.8648004  0.00    0.0004973   -0.0014430    0.0032341
 C   -3.8545791   17.2138206    6.6142715  0.00   -0.0000321   -0.0009133    0.0006535
 H   -2.9838781   16.5695932    6.4754066  0.00   -0.0024510    0.0012661   -0.0000885
 C   -5.0888864   16.3116289    6.6560300  0.00    0.0002587   -0.0018733   -0.0029809
 H   -6.0016669   16.9026432    6.7675427  0.00    0.0017504    0.0011858   -0.0019784
 H   -5.0293284   15.6280163    7.5063996  0.00    0.0005910   -0.0000011   -0.0021302
 H   -5.1789671   15.7111274    5.7507878  0.00   -0.0033542   -0.0030403    0.0002611
 C   -3.7081973   17.9456204    7.9476810  0.00   -0.0001936   -0.0009528    0.0012153
 H   -2.8961123   18.6769825    7.9372135  0.00    0.0001354    0.0004966   -0.0012358
 H   -3.5096043   17.2306855    8.7493714  0.00   -0.0000632   -0.0005109    0.0018659
 H   -4.6222370   18.4802518    8.2155679  0.00    0.0004862   -0.0013564    0.0011285
 C    2.7095708   18.1627081    4.2777582  0.00   -0.0022885   -0.0021876   -0.0008108
 C    2.8113541   19.0206318    3.1527892  0.00    0.0002538    0.0027003   -0.0000536
 C    3.6160430   20.1506825    3.2474035  0.00   -0.0011819   -0.0002279    0.0016365
 H    3.7078722   20.8119943    2.3941489  0.00    0.0019452   -0.0030334    0.0032655
 C    4.3097086   20.4439854    4.4071534  0.00   -0.0009817    0.0002514   -0.0001345
 H    4.9301478   21.3311058    4.4587820  0.00    0.0018022   -0.0010783   -0.0007136
 C    4.2153956   19.5999814    5.4970306  0.00    0.0001294    0.0022993    0.0001218
 H    4.7745962   19.8294883    6.3963120  0.00   -0.0010893    0.0025050   -0.0026448
 C    3.4304530   18.4516521    5.4611979  0.00    0.0018177    0.0008857    0.0028881
 C    3.4375758   17.5275126    6.6586963  0.00    0.0027073    0.0020331    0.0006830
 H    2.6183668   16.8167341    6.5341107  0.00   -0.0021608   -0.0021380   -0.0012761
 C    4.7360950   16.7200086    6.7088861  0.00   -0.0007558   -0.0008835   -0.0019160
 H    4.8688449   16.1170015    5.8101587  0.00    0.0031537   -0.0028647   -0.0007377
 H    4.7296446   16.0442600    7.5675700  0.00   -0.0012275    0.0004703   -0.0016237
 H    5.6020789   17.3793220    6.8096080  0.00   -0.0005457    0.0014241   -0.0019881
 C    3.2382251   18.2691508    7.9788437  0.00    0.0008753   -0.0016735   -0.0000064
 H    4.1063280   18.8811908    8.2333710  0.00   -0.0005316   -0.0006252    0.0011919
 H    3.1016487   17.5546662    8.7938039  0.00    0.0005644    0.0000694    0.0014372
 H    2.3682398   18.9306507    7.9600493  0.00   -0.0011451    0.0010383   -0.0011369
 C    2.1333332   18.7149358    1.8334759  0.00   -0.0002806    0.0005316    0.0000301
 H    1.3560252   17.9624361    2.0157465  0.00    0.0001799    0.0011049   -0.0003581
 C    1.4729764   19.9409903    1.2108093  0.00   -0.0013555   -0.0017087   -0.0011357
 H    0.7875069   20.4409556    1.8999262  0.00    0.0012285   -0.0017659    0.0009762
 H    0.9098155   19.6506533    0.3221571  0.00   -0.0025742    0.0014396   -0.0016855
 H    2.2120141   20.6787219    0.8919403  0.00   -0.0029247   -0.0025156    0.0000522
 C    3.1255674   18.0987493    0.8447239  0.00   -0.0006378   -0.0009111    0.0005757
 H    3.9341649   18.8015169    0.6276569  0.00   -0.0002866    0.0010129    0.0008071
 H    2.6250666   17.8614375   -0.0970230  0.00    0.0001673   -0.0009952    0.0004161
 H    3.5663266   17.1812752    1.2351276  0.00   -0.0005952   -0.0002512   -0.0011320
 C   -0.1926718   16.9756543    7.1200830  0.00   -0.0009738   -0.0018288   -0.0040158
 H    0.6611501   17.5236225    7.5560361  0.00    0.0002331   -0.0010897    0.0002961
 H   -1.0959219   17.4490731    7.5426544  0.00    0.0010245   -0.0021491   -0.0006960
 C    1.4397316   14.3451628    7.3147111  0.00   -0.0032140    0.0003892    0.0005548
 H    1.5492039   14.2844532    6.2286812  0.00   -0.0003712    0.0011879   -0.0006344
 H    1.4198509   13.3217161    7.7011874  0.00    0.0019012    0.0003704   -0.0014283
 H    2.3377127   14.8212902    7.7163389  0.00   -0.0023104   -0.0004696   -0.0000458
 C   -0.1356511   15.3413305    9.7225707  0.00    0.0000301    0.0005953    0.0037975
 H    0.7241844   15.9037885   10.0959995  0.00    0.0025999    0.0017188    0.0001893
 H   -0.0997501   14.3453040   10.1727844  0.00    0.0004820   -0.0019357   -0.0007858
 H   -1.0383345   15.8370624   10.0894953  0.00   -0.0020131    0.0015007   -0.0006344
 C   -1.6104419   14.2247126    7.3048562  0.00    0.0023398    0.0012411   -0.0006772
 H   -2.5446449   14.6270841    7.7046558  0.00    0.0029496   -0.0006954   -0.0010553
 H   -1.5117469   13.2044430    7.6876854  0.00   -0.0009867    0.0009785   -0.0016347
 H   -1.7103697   14.1601131    6.2181506  0.00   -0.0003909    0.0007738   -0.0001324
129
 Energy =   -2867.2896727570
 O   -0.1337446   15.5470345    3.8357223  0.00   -0.0018445    0.0002521   -0.0004917
Th   -0.2011751   17.7598109    4.8632556  0.00   -0.0000522    0.0019465   -0.0035298
Si   -0.1246768   15.2340106    7.8501080  0.00    0.0000726    0.0017751    0.0006406
 N   -2.1723613   16.9515479    4.1870130  0.00   -0.0000955    0.0018545    0.0011426
 N    1.8191435   17.0543237    4.2244921  0.00   -0.0009938   -0.0001979   -0.0002385
 C   -2.5917871   13.1355100    2.5958276  0.00    0.0013818    0.0010808    0.0009505
 H   -2.6537140   12.1381187    2.1844366  0.00    0.0026078    0.0026429    0.0013268
 C   -3.7590504   13.8638005    2.7826080  0.00    0.0005295    0.0001392   -0.0001536
 C   -3.6676751   15.1557181    3.3154435  0.00    0.0010681    0.0001821   -0.0008131
 H   -4.5567659   15.7592266    3.4529982  0.00    0.0005897    0.0001669    0.0006755
 C   -2.4383937   15.6935096    3.6572522  0.00    0.0016021   -0.0009924   -0.0009794
 C    2.1592278   15.8241728    3.6737932  0.00   -0.0010290    0.0009466   -0.0004250
 C    3.4186698   15.3648671    3.3289979  0.00   -0.0018207   -0.0003019   -0.0014874
 H    4.2709626   16.0165491    3.4792365  0.00   -0.0006970    0.0012014    0.0007588
 C    3.5872464   14.0836840    2.7891520  0.00    0.0013026    0.0000687    0.0001535
 C    2.4658057   13.2877806    2.5973015  0.00    0.0000155    0.0023811    0.0010712
 H    2.5883321   12.2975082    2.1826756  0.00   -0.0030091   -0.0003007   -0.0001555
 C   -0.0519871   12.8329090    2.7056683  0.00   -0.0007480    0.0002876    0.0010398
 C   -1.3259989   13.6398623    2.9191037  0.00   -0.0024803    0.0002426   -0.0014440
 C   -1.3070660   14.9024478    3.4529729  0.00    0.0018791   -0.0021098    0.0005272
 C    1.0761892   14.9712154    3.4578426  0.00    0.0007244   -0.0002768    0.0005296
 C    1.1714245   13.7140419    2.9198996  0.00   -0.0014756    0.0008116    0.0006043
 C   -0.0173824   11.6748452    3.7160460  0.00    0.0003805   -0.0008678    0.0018571
 H   -0.0288687   12.0481327    4.7418482  0.00    0.0001586   -0.0019485    0.0015803
 H    0.8856458   11.0761919    3.5803683  0.00    0.0012235    0.0002672   -0.0004219
 H   -0.8826730   11.0229341    3.5800124  0.00   -0.0014822   -0.0000882   -0.0003774
 C   -0.0350950   12.2684254    1.2793331  0.00    0.0005066    0.0001429   -0.0000913
 H   -0.8932504   11.6180218    1.1081251  0.00   -0.0011010   -0.0004126    0.0001578
 H    0.8604243   11.6704122    1.1084000  0.00    0.0009080    0.0000148    0.0002156
 H   -0.0590396   13.0703937    0.5393603  0.00    0.0001076   -0.0017431   -0.0006210
 C   -5.1324643   13.3043544    2.4140188  0.00    0.0007850   -0.0002708    0.0002979
 C   -6.0265593   13.2828351    3.6592062  0.00   -0.0002807    0.0005062   -0.0004236
 H   -5.5869158   12.6678415    4.4480247  0.00   -0.0003912    0.0000086    0.0002191
 H   -7.0059090   12.8665660    3.4106917  0.00   -0.0002428    0.0007520   -0.0010732
 H   -6.1889230   14.2846926    4.0620375  0.00    0.0008202    0.0004644   -0.0000407
 C   -5.7730054   14.1968325    1.3441234  0.00   -0.0001233    0.0007681    0.0004349
 H   -5.9104231   15.2214821    1.6961071  0.00    0.0007866    0.0014923    0.0006070
 H   -6.7566089   13.8071024    1.0705378  0.00   -0.0008978    0.0002529    0.0006585
 H   -5.1589615   14.2286297    0.4407938  0.00    0.0004789    0.0000767   -0.0000278
 C   -5.0508988   11.8834569    1.8625005  0.00   -0.0009248   -0.0007424   -0.0003439
 H   -4.4571135   11.8333728    0.9464468  0.00   -0.0000265    0.0004542    0.0001849
 H   -6.0554938   11.5317983    1.6191351  0.00   -0.0007909   -0.0004449   -0.0000596
 H   -4.6279036   11.1864775    2.5901537  0.00   -0.0000231   -0.0007133    0.0006151
 C    4.9932596   13.6061779    2.4288822  0.00    0.0019534   -0.0013064   -0.0002969
 C    5.5996195   14.5489406    1.3826234  0.00   -0.0000638    0.0006169    0.0008137
 H    6.6044180   14.2136290    1.1137801  0.00   -0.0006434    0.0010366    0.0007869
 H    5.6832304   15.5723846    1.7546517  0.00   -0.0003213    0.0004992    0.0001817
 H    4.9946527   14.5669640    0.4727221  0.00    0.0002343   -0.0001426    0.0004424
 C    5.8701941   13.6126163    3.6866688  0.00    0.0004515    0.0006606    0.0000050
 H    5.4561691   12.9578044    4.4570702  0.00    0.0005460    0.0000409    0.0002398
 H    5.9669606   14.6142899    4.1108222  0.00   -0.0006937   -0.0000812    0.0001154
 H    6.8756963   13.2589788    3.4452865  0.00   -0.0006006    0.0011385   -0.0007762
 C    4.9964640   12.1923210    1.8537360  0.00    0.0006045   -0.0002183    0.0000284
 H    4.6071515   11.4607024    2.5660066  0.00    0.0003953   -0.0007133    0.0000127
 H    6.0214439   11.9015929    1.6147256  0.00   -0.0005197   -0.0005708   -0.0000735
 H    4.4139999   12.1245564    0.9315167  0.00    0.0004571    0.0001816    0.0005168
 C   -3.1439103   17.9898672    4.2674270  0.00    0.0033053   -0.0041295    0.0002418
 C   -3.9165233   18.1650411    5.4399131  0.00   -0.0037676    0.0020745    0.0009502
 C   -4.8056788   19.2339920    5.4977909  0.00    0.0002507   -0.0001070    0.0000836
 H   -5.4078277   19.3720851    6.3880303  0.00    0.0000345    0.0023608   -0.0024074
 C   -4.9415219   20.1161545    4.4444823  0.00    0.0015066    0.0008509    0.0006385
 H   -5.6401427   20.9418488    4.5126223  0.00   -0.0022906   -0.0001947   -0.0007893
 C   -4.1827331   19.9446788    3.3008976  0.00    0.0005488    0.0009812    0.0020772
 H   -4.3013752   20.6421196    2.4815434  0.00   -0.0008138   -0.0014926    0.0023162
 C   -3.2808273   18.8932394    3.1806408  0.00   -0.0012601    0.0019398    0.0002244
 C   -2.5350363   18.7130097    1.8727572  0.00    0.0012208    0.0000903   -0.0011196
 H   -1.5968457   18.1789298    2.0826353  0.00   -0.0007918   -0.0000517    0.0005443
 C   -3.3332013   17.8368805    0.9035924  0.00   -0.0005152   -0.0005152   -0.0001315
 H   -3.5377273   16.8497804    1.3165395  0.00    0.0000662   -0.0009691    0.0008370
 H   -2.7830693   17.7081041   -0.0314705  0.00    0.0012780    0.0000193   -0.0006506
 H   -4.2882589   18.3138542    0.6679067  0.00    0.0000945    0.0009708    0.0015344
 C   -2.1859609   20.0325611    1.1920856  0.00    0.0025798    0.0006218   -0.0000642
 H   -3.0767536   20.5267222    0.7990089  0.00    0.0020255   -0.0008164    0.0001488
 H   -1.5287762   19.8487911    0.3411351  0.00    0.0023072    0.0006698   -0.0014766
 H   -1.6866414   20.7342941    1.8642238  0.00    0.0008436   -0.0013351    0.0028146
 C   -3.8547841   17.2138252    6.6141542  0.00   -0.0007412   -0.0009961    0.0016886
 H   -2.9841502   16.5696597    6.4752867  0.00   -0.0006506   -0.0000895   -0.0004976
 C   -5.0890857   16.3116390    6.6555303  0.00   -0.0005153   -0.0004032   -0.0020312
 H   -6.0016349   16.9029638    6.7673225  0.00    0.0013394    0.0004435   -0.0022266
 H   -5.0294893   15.6277956    7.5056297  0.00    0.0001636   -0.0004365   -0.0008904
 H   -5.1794676   15.7111684    5.7503180  0.00   -0.0027822   -0.0025120   -0.0010386
 C   -3.7085159   17.9454475    7.9477133  0.00    0.0005771   -0.0007619    0.0009563
 H   -2.8964918   18.6769186    7.9371126  0.00   -0.0000092   -0.0000073   -0.0006182
 H   -3.5097214   17.2306733    8.7495157  0.00   -0.0008108   -0.0011004    0.0011223
 H   -4.6226055   18.4799181    8.2156731  0.00    0.0004763   -0.0007700    0.0007624
 C    2.7095529   18.1630207    4.2778859  0.00    0.0016243    0.0020447    0.0026791
 C    2.8115489   19.0207896    3.1528671  0.00   -0.0012422   -0.0005875    0.0007130
 C    3.6165387   20.1505808    3.2474281  0.00   -0.0033693   -0.0001006    0.0005202
 H    3.7088808   20.8115185    2.3940623  0.00    0.0013346   -0.0010645    0.0018461
 C    4.3100767   20.4438274    4.4071087  0.00   -0.0002119    0.0008749    0.0017045
 H    4.9309247   21.3305848    4.4585528  0.00    0.0022706    0.0008408   -0.0005266
 C    4.2155295   19.6001371    5.4971958  0.00    0.0017754    0.0020493   -0.0001031
 H    4.7745653   19.8300503    6.3964453  0.00   -0.0001633    0.0019178   -0.0023592
 C    3.4305456   18.4519309    5.4614745  0.00   -0.0010524   -0.0029171   -0.0022433
 C    3.4377913   17.5275295    6.6587250  0.00    0.0000286    0.0003305   -0.0010206
 H    2.6185272   16.8167040    6.5340598  0.00   -0.0002030   -0.0006970   -0.0006056
 C    4.7363126   16.7201256    6.7084154  0.00   -0.0001562   -0.0014031   -0.0020862
 H    4.8693693   16.1173075    5.8095768  0.00    0.0025193   -0.0018466   -0.0003951
 H    4.7297869   16.0439753    7.5667030  0.00   -0.0004737    0.0004527   -0.0004235
 H    5.6020495   17.3796756    6.8095097  0.00    0.0000231    0.0009596   -0.0022724
 C    3.2387268   18.2689511    7.9789826  0.00   -0.0019588   -0.0011878    0.0008623
 H    4.1066467   18.8811735    8.2334047  0.00    0.0004387   -0.0000216    0.0010921
 H    3.1024037   17.5545804    8.7940856  0.00    0.0009099   -0.0003706    0.0009293
 H    2.3685034   18.9302316    7.9604387  0.00   -0.0000787    0.0005247   -0.0010718
 C    2.1337104   18.7149476    1.8334654  0.00   -0.0017184   -0.0015042    0.0006735
 H    1.3562851   17.9625972    2.0157878  0.00    0.0007540    0.0011440   -0.0005406
 C    1.4734306   19.9408307    1.2104933  0.00   -0.0023731   -0.0009270   -0.0005231
 H    0.7882167   20.4410820    1.8996778  0.00    0.0007789   -0.0019521    0.0004937
 H    0.9100190   19.6507312    0.3218797  0.00   -0.0016600    0.0005989   -0.0012325
 H    2.2125500   20.6783337    0.8915552  0.00   -0.0019954   -0.0011785   -0.0004004
 C    3.1259906   18.0984262    0.8449686  0.00    0.0004623   -0.0003399    0.0004186
 H    3.9346192   18.8011877    0.6277806  0.00   -0.0007458    0.0006155    0.0009915
 H    2.6255941   17.8608422   -0.0967428  0.00    0.0000601   -0.0007106    0.0000333
 H    3.5667711   17.1810002    1.2354488  0.00   -0.0007521    0.0002131   -0.0007930
 C   -0.1927015   16.9748748    7.1199084  0.00    0.0007186    0.0007177   -0.0022827
 H    0.6610891   17.5228192    7.5560652  0.00   -0.0006008   -0.0012225   -0.0003760
 H   -1.0959151   17.4481374    7.5426414  0.00    0.0001793   -0.0013175   -0.0005237
 C    1.4394376   14.3447798    7.3150673  0.00   -0.0014771    0.0003959   -0.0002871
 H    1.5487661   14.2844420    6.2289966  0.00   -0.0006684    0.0006584    0.0000634
 H    1.4199885   13.3212232    7.7012484  0.00    0.0014241    0.0004655   -0.0009554
 H    2.3374404   14.8209102    7.7165277  0.00   -0.0018973   -0.0001058    0.0001441
 C   -0.1356235   15.3414742    9.7231322  0.00    0.0003521    0.0001510    0.0025205
 H    0.7243361   15.9039788   10.0963473  0.00    0.0016897    0.0005573    0.0004166
 H   -0.0996921   14.3451214   10.1727946  0.00    0.0003589   -0.0003377   -0.0000685
 H   -1.0383536   15.8373185   10.0898688  0.00   -0.0015577    0.0004172   -0.0000728
 C   -1.6101968   14.2243888    7.3050985  0.00    0.0019357    0.0003323   -0.0003573
 H   -2.5444503   14.6265501    7.7047564  0.00    0.0013653    0.0002513   -0.0004466
 H   -1.5116551   13.2040303    7.6876499  0.00   -0.0007991    0.0006495   -0.0009991
 H   -1.7100517   14.1600391    6.2184009  0.00   -0.0000779    0.0005146   -0.0007744
129
 Energy =   -2867.2896785120
 O   -0.1337951   15.5467807    3.8366787  0.00   -0.0025906    0.0004852   -0.0016429
Th   -0.2011627   17.7604985    4.8626688  0.00   -0.0004978    0.0012412   -0.0001128
Si   -0.1245595   15.2351691    7.8493285  0.00    0.0002934    0.0005823    0.0004786
 N   -2.1721260   16.9513287    4.1876763  0.00   -0.0013098    0.0024868   -0.0001491
 N    1.8189532   17.0544936    4.2247086  0.00   -0.0006261    0.0002794    0.0004478
 C   -2.5920879   13.1352822    2.5966135  0.00    0.0008071    0.0030894    0.0013059
 H   -2.6540897   12.1378762    2.1851078  0.00    0.0022551    0.0034241    0.0016425
 C   -3.7592767   13.8639248    2.7833039  0.00   -0.0001364   -0.0006354   -0.0004948
 C   -3.6676855   15.1558523    3.3162600  0.00    0.0027283   -0.0016147   -0.0021351
 H   -4.5563698   15.7600283    3.4533993  0.00   -0.0002610   -0.0008190    0.0008513
 C   -2.4382670   15.6932881    3.6580440  0.00   -0.0006699    0.0012768    0.0003630
 C    2.1590244   15.8241784    3.6746144  0.00   -0.0007320   -0.0003236   -0.0010320
 C    3.4184345   15.3649299    3.3299242  0.00   -0.0013777    0.0005720   -0.0020802
 H    4.2703761   16.0171436    3.4799095  0.00   -0.0000951    0.0000106    0.0006145
 C    3.5871877   14.0837854    2.7900494  0.00    0.0031100   -0.0004324   -0.0007805
 C    2.4659032   13.2876675    2.5981082  0.00   -0.0007676    0.0029467    0.0012551
 H    2.5885570   12.2973728    2.1834068  0.00   -0.0028919    0.0005609    0.0001427
 C   -0.0520338   12.8330032    2.7066185  0.00   -0.0014808   -0.0006999    0.0010321
 C   -1.3262327   13.6396475    2.9200367  0.00   -0.0010589   -0.0003722   -0.0011187
 C   -1.3071153   14.9021670    3.4539295  0.00    0.0021207   -0.0014502   -0.0006725
 C    1.0761070   14.9710594    3.4587729  0.00    0.0012686    0.0008677   -0.0003637
 C    1.1714266   13.7139574    2.9207403  0.00   -0.0006835    0.0008980    0.0017556
 C   -0.0173484   11.6748674    3.7167050  0.00   -0.0001851   -0.0007189    0.0026442
 H   -0.0288041   12.0480752    4.7425073  0.00    0.0002437   -0.0021505    0.0023404
 H    0.8856890   11.0763504    3.5808467  0.00    0.0015744   -0.0004979   -0.0003200
 H   -0.8827343   11.0231257    3.5806104  0.00   -0.0013805   -0.0006858   -0.0003483
 C   -0.0351376   12.2686805    1.2804335  0.00   -0.0001320    0.0002931   -0.0011457
 H   -0.8932792   11.6183331    1.1092839  0.00   -0.0016507   -0.0008641   -0.0003841
 H    0.8603175   11.6707345    1.1095509  0.00    0.0021309   -0.0008585   -0.0003294
 H   -0.0590457   13.0707691    0.5406444  0.00   -0.0000005   -0.0017956   -0.0015248
 C   -5.1331017   13.3053398    2.4143778  0.00    0.0005145   -0.0011948    0.0000945
 C   -6.0272399   13.2839610    3.6595621  0.00   -0.0005473    0.0002064    0.0000315
 H   -5.5880890   12.6679418    4.4478263  0.00    0.0001132    0.0003392    0.0008940
 H   -7.0069687   12.8686381    3.4110744  0.00   -0.0003796    0.0002254   -0.0018662
 H   -6.1888993   14.2855158    4.0633969  0.00    0.0010426    0.0010578   -0.0009460
 C   -5.7727666   14.1983378    1.3443542  0.00   -0.0006670    0.0007364   -0.0000605
 H   -5.9094097   15.2232626    1.6958089  0.00    0.0009955    0.0014288    0.0014425
 H   -6.7566782   13.8096012    1.0705098  0.00   -0.0009038   -0.0006360    0.0011363
 H   -5.1586061   14.2291991    0.4410909  0.00    0.0008144    0.0007444   -0.0001688
 C   -5.0529227   11.8843755    1.8625357  0.00    0.0007492    0.0001926    0.0003331
 H   -4.4592233   11.8338211    0.9464293  0.00    0.0001878    0.0006546    0.0006480
 H   -6.0579065   11.5338624    1.6190912  0.00   -0.0005554   -0.0007166   -0.0000103
 H   -4.6307753   11.1867861    2.5901269  0.00    0.0005097   -0.0002825    0.0003187
 C    4.9935379   13.6071665    2.4295244  0.00    0.0027017   -0.0027971   -0.0008988
 C    5.5990476   14.5502701    1.3831100  0.00    0.0005229    0.0015930    0.0004220
 H    6.6041426   14.2160018    1.1140685  0.00   -0.0008724    0.0001275    0.0013068
 H    5.6817964   15.5739903    1.7545764  0.00   -0.0003426    0.0002625    0.0007780
 H    4.9939806   14.5672804    0.4732835  0.00   -0.0000295    0.0005994    0.0001225
 C    5.8705192   13.6136428    3.6872597  0.00    0.0004507    0.0008862    0.0007540
 H    5.4569821   12.9576897    4.4569390  0.00    0.0005445    0.0004231    0.0009620
 H    5.9663527   14.6149361    4.1125582  0.00   -0.0006025    0.0000781   -0.0008841
 H    6.8763887   13.2611336    3.4457620  0.00   -0.0008348    0.0007187   -0.0010705
 C    4.9981522   12.1933894    1.8540552  0.00   -0.0004727   -0.0000890    0.0005918
 H    4.6096195   11.4612258    2.5661407  0.00   -0.0004484   -0.0008969    0.0003748
 H    6.0234427   11.9036912    1.6150922  0.00   -0.0006616   -0.0005824    0.0000460
 H    4.4159820   12.1251096    0.9317298  0.00   -0.0003976    0.0005088    0.0002869
 C   -3.1436482   17.9896792    4.2680127  0.00    0.0032311   -0.0051886   -0.0017125
 C   -3.9171164   18.1642892    5.4399242  0.00   -0.0039922    0.0036800    0.0015860
 C   -4.8063254   19.2332748    5.4976069  0.00    0.0020232    0.0001714    0.0001120
 H   -5.4092717   19.3710865    6.3874383  0.00    0.0009012    0.0022753   -0.0032793
 C   -4.9409992   20.1158985    4.4445165  0.00    0.0017550    0.0016463    0.0003401
 H   -5.6393074   20.9417821    4.5124008  0.00   -0.0036206    0.0004635   -0.0003772
 C   -4.1813115   19.9450113    3.3014043  0.00   -0.0016521    0.0000068    0.0023670
 H   -4.2992574   20.6427963    2.4821620  0.00   -0.0012184   -0.0023039    0.0033770
 C   -3.2797859   18.8932779    3.1813758  0.00   -0.0017974    0.0025738   -0.0010538
 C   -2.5341528   18.7126569    1.8735043  0.00    0.0004573    0.0007256   -0.0025682
 H   -1.5963458   18.1782016    2.0833567  0.00    0.0015072   -0.0006767    0.0004161
 C   -3.3328166   17.8368816    0.9043913  0.00    0.0001157   -0.0022015    0.0005276
 H   -3.5362417   16.8489943    1.3161528  0.00   -0.0000461    0.0005431    0.0017602
 H   -2.7837471   17.7096541   -0.0314673  0.00    0.0020405   -0.0005940   -0.0008085
 H   -4.2883568   18.3135199    0.6704112  0.00   -0.0010938    0.0014981    0.0005092
 C   -2.1848543   20.0319108    1.1922703  0.00    0.0013549    0.0007451    0.0008608
 H   -3.0757652   20.5255861    0.7989231  0.00    0.0018497   -0.0003839   -0.0003044
 H   -1.5275108   19.8479338    0.3414606  0.00    0.0019555    0.0007004   -0.0007898
 H   -1.6861165   20.7342088    1.8642380  0.00    0.0015939   -0.0016370    0.0027451
 C   -3.8566189   17.2121890    6.6133903  0.00   -0.0013072   -0.0006269    0.0019941
 H   -2.9864662   16.5675971    6.4744707  0.00    0.0016674   -0.0009916   -0.0005305
 C   -5.0916130   16.3109987    6.6532576  0.00    0.0003394   -0.0014948   -0.0021168
 H   -6.0035031   16.9032612    6.7648364  0.00   -0.0001884   -0.0002421   -0.0022065
 H   -5.0330322   15.6266265    7.5029275  0.00    0.0000850   -0.0006854    0.0002911
 H   -5.1818130   15.7108116    5.7478076  0.00   -0.0030905   -0.0013099   -0.0009489
 C   -3.7108473   17.9425286    7.9476160  0.00    0.0009321   -0.0005803    0.0008981
 H   -2.8976962   18.6727697    7.9385519  0.00   -0.0006807    0.0008384   -0.0010428
 H   -3.5140275   17.2269138    8.7491593  0.00   -0.0002287   -0.0011172    0.0011560
 H   -4.6246221   18.4779150    8.2146891  0.00    0.0003713   -0.0003222    0.0016664
 C    2.7093975   18.1631616    4.2779618  0.00    0.0012724   -0.0004674    0.0001346
 C    2.8105860   19.0209460    3.1529632  0.00   -0.0010887   -0.0009933    0.0015929
 C    3.6150295   20.1509718    3.2473931  0.00   -0.0009178   -0.0002266   -0.0011433
 H    3.7063827   20.8121855    2.3941848  0.00    0.0022846   -0.0007019    0.0015466
 C    4.3096895   20.4437062    4.4064359  0.00    0.0007409    0.0014870    0.0017982
 H    4.9304225   21.3304376    4.4574737  0.00    0.0034526    0.0023108   -0.0000966
 C    4.2167091   19.5995492    5.4962394  0.00   -0.0013347    0.0021359    0.0005307
 H    4.7767855   19.8292011    6.3948685  0.00   -0.0002167    0.0020260   -0.0014826
 C    3.4314578   18.4515099    5.4609706  0.00   -0.0022323   -0.0010496   -0.0026275
 C    3.4394786   17.5266453    6.6576720  0.00    0.0009749    0.0013447   -0.0002444
 H    2.6206067   16.8155075    6.5329261  0.00   -0.0017080   -0.0013618   -0.0004032
 C    4.7385175   16.7202115    6.7064614  0.00   -0.0009967   -0.0032972   -0.0027370
 H    4.8711373   16.1170232    5.8077712  0.00    0.0030688   -0.0006060   -0.0003921
 H    4.7330310   16.0442051    7.5647913  0.00   -0.0003728   -0.0000392    0.0006975
 H    5.6036682   17.3805435    6.8067152  0.00    0.0013983    0.0006016   -0.0018921
 C    3.2406868   18.2674694    7.9782406  0.00   -0.0024181   -0.0018662    0.0012742
 H    4.1084073   18.8800261    8.2323526  0.00    0.0008201    0.0005768    0.0013663
 H    3.1050741   17.5528517    8.7932222  0.00    0.0011167   -0.0009078    0.0012205
 H    2.3700221   18.9280962    7.9604199  0.00   -0.0006183    0.0017874   -0.0014314
 C    2.1333598   18.7143332    1.8335446  0.00   -0.0027083   -0.0021907   -0.0008181
 H    1.3563009   17.9617037    2.0158040  0.00   -0.0000345    0.0002878   -0.0004659
 C    1.4727435   19.9393434    1.2093510  0.00   -0.0005259    0.0009314   -0.0001670
 H    0.7868646   20.4398790    1.8975732  0.00    0.0003905   -0.0020418    0.0014975
 H    0.9102294   19.6486161    0.3204086  0.00   -0.0020688    0.0001448   -0.0012316
 H    2.2118277   20.6769482    0.8906189  0.00   -0.0019381   -0.0008773   -0.0009080
 C    3.1265429   18.0979769    0.8458327  0.00    0.0008153   -0.0014071    0.0010710
 H    3.9350447   18.8010705    0.6293262  0.00   -0.0004653    0.0004498    0.0003645
 H    2.6269424   17.8601347   -0.0961938  0.00   -0.0004258   -0.0005873   -0.0004440
 H    3.5673885   17.1806283    1.2365603  0.00   -0.0011387    0.0011833   -0.0007363
 C   -0.1926859   16.9758980    7.1193312  0.00    0.0013846   -0.0002544   -0.0021679
 H    0.6610858   17.5235194    7.5558546  0.00    0.0000385   -0.0004302   -0.0006054
 H   -1.0957877   17.4486963    7.5426423  0.00   -0.0010408   -0.0002864   -0.0007859
 C    1.4395742   14.3458181    7.3149095  0.00    0.0000322   -0.0002634    0.0000798
 H    1.5495662   14.2843158    6.2289942  0.00   -0.0015673    0.0009532   -0.0004243
 H    1.4204924   13.3227323    7.7023585  0.00    0.0010899    0.0002319   -0.0017889
 H    2.3373272   14.8225482    7.7161087  0.00   -0.0011597    0.0001599    0.0006416
 C   -0.1355974   15.3416035    9.7222732  0.00    0.0002604    0.0003698    0.0008894
 H    0.7243234   15.9039426   10.0959246  0.00    0.0009937   -0.0004763    0.0008836
 H   -0.0994507   14.3442213   10.1697381  0.00    0.0001637    0.0017768    0.0023758
 H   -1.0386100   15.8368971   10.0891730  0.00   -0.0005961   -0.0005270    0.0006295
 C   -1.6099620   14.2253074    7.3049195  0.00    0.0005395   -0.0003208    0.0000995
 H   -2.5440383   14.6279805    7.7043384  0.00    0.0004384    0.0004850   -0.0000064
 H   -1.5116077   13.2055147    7.6889074  0.00   -0.0005302   -0.0003337   -0.0015853
 H   -1.7104020   14.1594572    6.2184041  0.00    0.0007968    0.0011811   -0.0014700
129
 Energy =   -2867.2896806410
 O   -0.1338641   15.5470128    3.8365229  0.00   -0.0004838    0.0003952   -0.0009218
Th   -0.2011497   17.7607557    4.8625533  0.00   -0.0007614    0.0009193   -0.0015071
Si   -0.1245539   15.2351355    7.8494921  0.00    0.0004024   -0.0000487   -0.0009301
 N   -2.1721236   16.9514631    4.1876552  0.00    0.0008155   -0.0013597   -0.0004375
 N    1.8188795   17.0545553    4.2246929  0.00    0.0007205    0.0017291    0.0003162
 C   -2.5918954   13.1355176    2.5966355  0.00   -0.0017175    0.0000224   -0.0001043
 H   -2.6536064   12.1381405    2.1851629  0.00    0.0014189    0.0024770    0.0012207
 C   -3.7591926   13.8639328    2.7832372  0.00    0.0005025   -0.0003198   -0.0005518
 C   -3.6675421   15.1558229    3.3161499  0.00   -0.0000026    0.0014332   -0.0007636
 H   -4.5562769   15.7600662    3.4534657  0.00    0.0009156   -0.0016155    0.0003583
 C   -2.4381656   15.6933881    3.6578954  0.00    0.0002308    0.0002916    0.0006642
 C    2.1589895   15.8243190    3.6744799  0.00   -0.0022068   -0.0006853   -0.0006986
 C    3.4183076   15.3650026    3.3297774  0.00    0.0011183    0.0000619   -0.0012040
 H    4.2702263   16.0172390    3.4799282  0.00   -0.0001531   -0.0001973    0.0002434
 C    3.5871938   14.0837529    2.7899895  0.00    0.0022507    0.0016019   -0.0003824
 C    2.4657935   13.2878729    2.5981213  0.00   -0.0020960    0.0003413    0.0007807
 H    2.5880310   12.2975045    2.1833900  0.00   -0.0019974    0.0010438    0.0003610
 C   -0.0520853   12.8331039    2.7066794  0.00   -0.0005508   -0.0003836    0.0007088
 C   -1.3261865   13.6397824    2.9199553  0.00    0.0007236    0.0007666    0.0003171
 C   -1.3070012   14.9022822    3.4538125  0.00    0.0004646   -0.0004980   -0.0000301
 C    1.0760436   14.9712573    3.4586827  0.00    0.0000963    0.0005572    0.0009032
 C    1.1712569   13.7141699    2.9207899  0.00    0.0019975    0.0000412    0.0001433
 C   -0.0173268   11.6749233    3.7168558  0.00   -0.0011468   -0.0000423    0.0014065
 H   -0.0287942   12.0481542    4.7426644  0.00    0.0002641   -0.0023419    0.0019996
 H    0.8857939   11.0765315    3.5808919  0.00    0.0010124   -0.0007016   -0.0001561
 H   -0.8828490   11.0232824    3.5806439  0.00   -0.0001233   -0.0004731    0.0000373
 C   -0.0350988   12.2688006    1.2804196  0.00   -0.0012153   -0.0002207   -0.0010240
 H   -0.8933341   11.6184881    1.1092074  0.00   -0.0005249   -0.0004887   -0.0001799
 H    0.8603890   11.6709217    1.1094730  0.00    0.0019040   -0.0010920   -0.0001688
 H   -0.0590319   13.0708525    0.5405903  0.00    0.0000303   -0.0015958   -0.0012001
 C   -5.1329554   13.3051955    2.4143428  0.00   -0.0005305    0.0002699    0.0000390
 C   -6.0271581   13.2839098    3.6595185  0.00   -0.0007244    0.0008421   -0.0004575
 H   -5.5880644   12.6680409    4.4479149  0.00    0.0001075   -0.0002184    0.0008188
 H   -7.0068882   12.8685611    3.4109417  0.00   -0.0000609    0.0006304   -0.0016050
 H   -6.1888221   14.2855743    4.0631983  0.00    0.0012431    0.0003147   -0.0009355
 C   -5.7727788   14.1982728    1.3443619  0.00   -0.0002182    0.0010924    0.0009270
 H   -5.9094160   15.2232386    1.6959783  0.00    0.0012838    0.0000756    0.0008008
 H   -6.7567175   13.8094412    1.0706224  0.00   -0.0005497   -0.0000948    0.0010437
 H   -5.1586453   14.2292573    0.4410726  0.00    0.0006832    0.0004432   -0.0000970
 C   -5.0526603   11.8842281    1.8625250  0.00    0.0009550   -0.0001912    0.0006496
 H   -4.4588861   11.8338184    0.9464491  0.00   -0.0000042    0.0003222    0.0007473
 H   -6.0575956   11.5335109    1.6190596  0.00   -0.0002850   -0.0000822    0.0000907
 H   -4.6303515   11.1867020    2.5901668  0.00   -0.0001299    0.0001060   -0.0003461
 C    4.9935740   13.6069728    2.4294690  0.00    0.0006492   -0.0001557   -0.0000419
 C    5.5990798   14.5502130    1.3831331  0.00   -0.0000268    0.0013135    0.0011507
 H    6.6041206   14.2158919    1.1141627  0.00    0.0000821    0.0002407    0.0008793
 H    5.6818693   15.5739038    1.7547318  0.00   -0.0006712   -0.0000894    0.0005258
 H    4.9940690   14.5673304    0.4732928  0.00   -0.0002799    0.0003137   -0.0000564
 C    5.8704849   13.6136042    3.6872393  0.00    0.0005641    0.0009815    0.0000372
 H    5.4569922   12.9578122    4.4570458  0.00    0.0004967   -0.0002623    0.0009226
 H    5.9663360   14.6149746    4.1123424  0.00   -0.0008146   -0.0000461   -0.0006040
 H    6.8762944   13.2610662    3.4456462  0.00   -0.0002440    0.0008601   -0.0008200
 C    4.9978834   12.1932428    1.8540514  0.00    0.0004215   -0.0008911    0.0003197
 H    4.6092389   11.4611122    2.5661471  0.00   -0.0001563   -0.0006760    0.0001444
 H    6.0230976   11.9032951    1.6150006  0.00   -0.0006746   -0.0001123    0.0001693
 H    4.4156563   12.1250923    0.9317576  0.00   -0.0004177    0.0003390    0.0002459
 C   -3.1435401   17.9895668    4.2679439  0.00   -0.0023085    0.0024496    0.0019708
 C   -3.9171849   18.1645013    5.4400486  0.00    0.0016739   -0.0028921   -0.0019733
 C   -4.8061998   19.2333494    5.4976655  0.00   -0.0014066    0.0036166   -0.0013606
 H   -5.4092317   19.3713620    6.3873153  0.00    0.0001999    0.0017634   -0.0020095
 C   -4.9410234   20.1159511    4.4445040  0.00   -0.0004349    0.0009854    0.0026855
 H   -5.6397948   20.9414979    4.5122075  0.00   -0.0026050    0.0004381   -0.0001340
 C   -4.1814990   19.9450268    3.3015073  0.00    0.0019610   -0.0011762    0.0009661
 H   -4.2996716   20.6424983    2.4822216  0.00   -0.0010012   -0.0003519    0.0016256
 C   -3.2798318   18.8933521    3.1813628  0.00   -0.0008318    0.0010161   -0.0006208
 C   -2.5342649   18.7127097    1.8733616  0.00    0.0020397   -0.0009214   -0.0003434
 H   -1.5964719   18.1781418    2.0833565  0.00    0.0007777   -0.0002400    0.0000985
 C   -3.3329144   17.8367665    0.9043810  0.00    0.0000242   -0.0007438   -0.0002511
 H   -3.5364954   16.8489967    1.3163674  0.00    0.0003692    0.0004879    0.0012794
 H   -2.7836251   17.7093683   -0.0314035  0.00    0.0008191   -0.0001961   -0.0002420
 H   -4.2883869   18.3136093    0.6702767  0.00   -0.0005600    0.0006066    0.0008330
 C   -2.1847537   20.0319118    1.1922066  0.00    0.0008106    0.0008065    0.0008243
 H   -3.0757007   20.5255221    0.7988858  0.00    0.0018004    0.0000343   -0.0004470
 H   -1.5274343   19.8480415    0.3413169  0.00    0.0018723    0.0006009    0.0000262
 H   -1.6861229   20.7341096    1.8644236  0.00    0.0013728   -0.0017298    0.0018014
 C   -3.8565521   17.2122369    6.6134956  0.00   -0.0000972   -0.0003693   -0.0001440
 H   -2.9863336   16.5676734    6.4744637  0.00    0.0009872   -0.0005501   -0.0006120
 C   -5.0914536   16.3109836    6.6532164  0.00   -0.0000774   -0.0019089   -0.0006865
 H   -6.0032652   16.9033261    6.7647984  0.00   -0.0006350   -0.0002137   -0.0020202
 H   -5.0327230   15.6266975    7.5030128  0.00   -0.0007744   -0.0004896   -0.0004394
 H   -5.1818849   15.7106295    5.7478643  0.00   -0.0023282   -0.0005362   -0.0009391
 C   -3.7106104   17.9426162    7.9476767  0.00   -0.0008440   -0.0012016    0.0013323
 H   -2.8976619   18.6730603    7.9383726  0.00   -0.0000959    0.0003206   -0.0004148
 H   -3.5136830   17.2270505    8.7492617  0.00   -0.0005154   -0.0010461    0.0008007
 H   -4.6244852   18.4778472    8.2148362  0.00    0.0008683   -0.0000496    0.0013572
 C    2.7094381   18.1632582    4.2779920  0.00   -0.0025358   -0.0028023    0.0015333
 C    2.8105758   19.0209034    3.1530734  0.00   -0.0014177    0.0006703   -0.0018065
 C    3.6150930   20.1508585    3.2474682  0.00   -0.0006945    0.0011812    0.0007456
 H    3.7069647   20.8118476    2.3942323  0.00    0.0013011    0.0001942    0.0004699
 C    4.3097622   20.4437407    4.4065450  0.00    0.0002198    0.0012535   -0.0000938
 H    4.9309232   21.3302654    4.4574163  0.00    0.0022568    0.0016824   -0.0001301
 C    4.2165793   19.5996765    5.4963644  0.00   -0.0008741   -0.0000536   -0.0006698
 H    4.7766644   19.8294646    6.3948822  0.00    0.0004578    0.0015196   -0.0004322
 C    3.4313031   18.4515353    5.4609875  0.00    0.0010812    0.0009339   -0.0008481
 C    3.4393516   17.5266659    6.6576674  0.00   -0.0002994   -0.0003072   -0.0001644
 H    2.6204578   16.8154986    6.5329343  0.00   -0.0011169   -0.0009809   -0.0005323
 C    4.7383590   16.7201142    6.7063448  0.00    0.0001217   -0.0009633   -0.0002828
 H    4.8711957   16.1169477    5.8077572  0.00    0.0025014   -0.0011554   -0.0014067
 H    4.7327368   16.0441970    7.5647927  0.00    0.0003189    0.0002214    0.0000874
 H    5.6035238   17.3805702    6.8066550  0.00    0.0003289   -0.0003255   -0.0020681
 C    3.2404173   18.2674270    7.9783297  0.00    0.0015033   -0.0009093    0.0008495
 H    4.1082764   18.8800281    8.2324559  0.00   -0.0010074   -0.0003626    0.0007296
 H    3.1050060   17.5528650    8.7933849  0.00    0.0007758   -0.0011563    0.0009376
 H    2.3698826   18.9281559    7.9603972  0.00   -0.0013588    0.0016241   -0.0010158
 C    2.1333615   18.7142472    1.8335387  0.00   -0.0010449   -0.0001107   -0.0001814
 H    1.3564136   17.9617265    2.0158035  0.00   -0.0014479   -0.0014908   -0.0002246
 C    1.4726499   19.9392961    1.2093909  0.00    0.0004605   -0.0001370   -0.0004503
 H    0.7870778   20.4398202    1.8978504  0.00   -0.0006285   -0.0015676    0.0013337
 H    0.9099960   19.6487151    0.3204695  0.00   -0.0017469   -0.0002590   -0.0007442
 H    2.2117347   20.6768237    0.8905581  0.00   -0.0016338   -0.0004524   -0.0008209
 C    3.1266047   18.0979553    0.8458219  0.00   -0.0005955   -0.0007150    0.0004561
 H    3.9350337   18.8011194    0.6292895  0.00   -0.0004349    0.0003161    0.0005011
 H    2.6268650   17.8601111   -0.0961757  0.00    0.0003290   -0.0003998   -0.0001181
 H    3.5673620   17.1806042    1.2364560  0.00   -0.0004811    0.0005780   -0.0001903
 C   -0.1926283   16.9756838    7.1190406  0.00   -0.0001601    0.0002654   -0.0008693
 H    0.6610098   17.5232180    7.5558057  0.00    0.0008324    0.0002397   -0.0004480
 H   -1.0958045   17.4483283    7.5425310  0.00   -0.0004223   -0.0003515   -0.0012460
 C    1.4394186   14.3456631    7.3149752  0.00    0.0004338    0.0005935   -0.0006388
 H    1.5494090   14.2843958    6.2290405  0.00   -0.0015697    0.0006953   -0.0002070
 H    1.4205795   13.3225574    7.7021795  0.00    0.0006425   -0.0007322   -0.0009093
 H    2.3371224   14.8223413    7.7162395  0.00   -0.0003528    0.0007779    0.0006611
 C   -0.1355662   15.3416618    9.7225153  0.00    0.0001021    0.0010785   -0.0005873
 H    0.7244807   15.9039844   10.0959693  0.00    0.0002665   -0.0007867    0.0013058
 H   -0.0994245   14.3442116   10.1698233  0.00    0.0001682    0.0016973    0.0023849
 H   -1.0386910   15.8369723   10.0892038  0.00    0.0001228   -0.0009698    0.0010966
 C   -1.6098160   14.2252221    7.3049265  0.00   -0.0004501    0.0001905   -0.0006635
 H   -2.5439073   14.6278142    7.7043870  0.00    0.0001154    0.0008204   -0.0000296
 H   -1.5116423   13.2053722    7.6886955  0.00   -0.0001361   -0.0008309   -0.0008568
 H   -1.7103595   14.1595671    6.2183704  0.00    0.0010917    0.0009364   -0.0007825
129
 Energy =   -2867.2896846680
 O   -0.1340370   15.5471668    3.8368201  0.00    0.0015154    0.0007760   -0.0003012
Th   -0.2012308   17.7614573    4.8622637  0.00   -0.0007024    0.0004245   -0.0013050
Si   -0.1244481   15.2357501    7.8493563  0.00    0.0002370   -0.0015432   -0.0024485
 N   -2.1719135   16.9514800    4.1879466  0.00   -0.0007639   -0.0001096   -0.0000027
 N    1.8186656   17.0548710    4.2248693  0.00   -0.0006848   -0.0022636   -0.0001073
 C   -2.5919859   13.1356777    2.5971272  0.00   -0.0003152    0.0000677   -0.0001366
 H   -2.6531657   12.1384219    2.1856936  0.00   -0.0002137   -0.0004727    0.0000075
 C   -3.7592658   13.8640243    2.7835339  0.00   -0.0008703    0.0018832    0.0002350
 C   -3.6672945   15.1559821    3.3164430  0.00   -0.0016669    0.0006163   -0.0011159
 H   -4.5557688   15.7605278    3.4537936  0.00    0.0000433   -0.0018560    0.0000732
 C   -2.4379873   15.6934577    3.6582652  0.00   -0.0006802   -0.0016462   -0.0000996
 C    2.1586796   15.8244678    3.6748018  0.00    0.0011944    0.0006671   -0.0000675
 C    3.4180361   15.3651209    3.3301084  0.00    0.0007392    0.0007165   -0.0007398
 H    4.2695805   16.0177517    3.4804093  0.00    0.0011090   -0.0004275   -0.0001082
 C    3.5872866   14.0838648    2.7904100  0.00    0.0001394    0.0007824   -0.0004946
 C    2.4656678   13.2880746    2.5986745  0.00   -0.0002097   -0.0007519    0.0000909
 H    2.5873157   12.2976188    2.1838523  0.00   -0.0005770    0.0016516    0.0006622
 C   -0.0522187   12.8332572    2.7074098  0.00    0.0014527   -0.0013464   -0.0005660
 C   -1.3262555   13.6398317    2.9204675  0.00    0.0006998    0.0008115    0.0009389
 C   -1.3069200   14.9022453    3.4542137  0.00   -0.0008826    0.0032104    0.0012083
 C    1.0758781   14.9714479    3.4591941  0.00   -0.0014681    0.0003027    0.0003965
 C    1.1711888   13.7143705    2.9214215  0.00    0.0007764   -0.0006433    0.0003705
 C   -0.0173740   11.6750441    3.7176264  0.00    0.0003307   -0.0006842   -0.0002709
 H   -0.0287403   12.0481309    4.7435087  0.00    0.0001323   -0.0021904    0.0014890
 H    0.8859907   11.0768217    3.5813852  0.00   -0.0015171   -0.0001337    0.0004184
 H   -0.8830337   11.0235598    3.5812281  0.00    0.0008972   -0.0008400    0.0005210
 C   -0.0351773   12.2691259    1.2809928  0.00    0.0008581   -0.0020687    0.0002955
 H   -0.8934668   11.6188948    1.1097030  0.00   -0.0001399   -0.0008439   -0.0004192
 H    0.8605209   11.6713364    1.1099837  0.00   -0.0003276   -0.0004053    0.0000536
 H   -0.0590359   13.0712576    0.5413135  0.00   -0.0001733   -0.0007871   -0.0016049
 C   -5.1332331   13.3056627    2.4144692  0.00   -0.0002312    0.0009598    0.0002534
 C   -6.0275516   13.2845359    3.6595854  0.00   -0.0001310    0.0001098   -0.0000282
 H   -5.5887199   12.6682166    4.4478388  0.00   -0.0004424    0.0000434    0.0002755
 H   -7.0074520   12.8696855    3.4107723  0.00    0.0001893    0.0007957   -0.0013341
 H   -6.1887423   14.2860988    4.0636935  0.00    0.0011745    0.0003726   -0.0014625
 C   -5.7726544   14.1991700    1.3444745  0.00    0.0002433    0.0000230    0.0005228
 H   -5.9087529   15.2242991    1.6959307  0.00    0.0013676   -0.0007718    0.0009428
 H   -6.7567975   13.8107515    1.0706481  0.00    0.0003159    0.0003597    0.0013022
 H   -5.1583302   14.2296865    0.4412379  0.00   -0.0000562    0.0006493    0.0003165
 C   -5.0534178   11.8846449    1.8625147  0.00   -0.0006331    0.0004118    0.0002898
 H   -4.4595764   11.8342094    0.9464982  0.00    0.0002528    0.0001320    0.0006207
 H   -6.0585511   11.5342128    1.6188187  0.00    0.0017872    0.0008809    0.0007204
 H   -4.6314389   11.1868709    2.5901036  0.00    0.0000416    0.0002390   -0.0002883
 C    4.9938732   13.6073382    2.4297413  0.00   -0.0021557    0.0020962    0.0010673
 C    5.5987612   14.5510243    1.3834439  0.00   -0.0001780   -0.0006930    0.0000187
 H    6.6038992   14.2172298    1.1143321  0.00    0.0008344    0.0000368    0.0007295
 H    5.6810736   15.5747808    1.7547649  0.00   -0.0009277    0.0006242    0.0014090
 H    4.9936295   14.5675553    0.4736646  0.00   -0.0001792    0.0006994   -0.0000918
 C    5.8707038   13.6142118    3.6875178  0.00    0.0000703   -0.0006226   -0.0001803
 H    5.4574859   12.9578905    4.4570418  0.00    0.0009588   -0.0002085    0.0008111
 H    5.9660065   14.6153636    4.1130879  0.00   -0.0007834    0.0009984   -0.0007866
 H    6.8766170   13.2622802    3.4456544  0.00    0.0005628    0.0006506   -0.0003716
 C    4.9984998   12.1936812    1.8542307  0.00   -0.0001010   -0.0010201   -0.0002371
 H    4.6100952   11.4613131    2.5662096  0.00   -0.0003521   -0.0003773    0.0003234
 H    6.0236993   11.9038825    1.6149628  0.00   -0.0003095    0.0001720    0.0003482
 H    4.4162392   12.1254953    0.9319552  0.00   -0.0006499    0.0004213    0.0003778
 C   -3.1432961   17.9896083    4.2683406  0.00   -0.0022584    0.0025155   -0.0000842
 C   -3.9175176   18.1642028    5.4401283  0.00    0.0015207   -0.0019522   -0.0010907
 C   -4.8063048   19.2333431    5.4976456  0.00   -0.0001958    0.0009544    0.0002258
 H   -5.4098667   19.3714366    6.3868027  0.00   -0.0004648    0.0009613   -0.0000230
 C   -4.9404690   20.1163015    4.4448593  0.00   -0.0006787    0.0017250    0.0009029
 H   -5.6394764   20.9417231    4.5122730  0.00   -0.0018236    0.0002608    0.0000703
 C   -4.1804564   19.9455215    3.3021962  0.00    0.0006943    0.0002148   -0.0002720
 H   -4.2984772   20.6431590    2.4831516  0.00   -0.0008361    0.0008177   -0.0002485
 C   -3.2791171   18.8937332    3.1818194  0.00    0.0012020   -0.0018195    0.0002753
 C   -2.5336278   18.7126826    1.8736160  0.00    0.0011653   -0.0011945    0.0011554
 H   -1.5959369   18.1780967    2.0838342  0.00    0.0017500   -0.0004737   -0.0000591
 C   -3.3324402   17.8363066    0.9050614  0.00   -0.0005038    0.0023969   -0.0012979
 H   -3.5353093   16.8483432    1.3168283  0.00    0.0004885    0.0003160    0.0016585
 H   -2.7835386   17.7096588   -0.0311450  0.00   -0.0002978   -0.0004577    0.0006306
 H   -4.2883455   18.3130098    0.6718865  0.00    0.0009620   -0.0007439    0.0004358
 C   -2.1841231   20.0316728    1.1919614  0.00    0.0007687   -0.0005757    0.0009182
 H   -3.0752323   20.5246363    0.7983361  0.00    0.0011054    0.0011804   -0.0006413
 H   -1.5265895   19.8478800    0.3410623  0.00    0.0009697    0.0005470    0.0022676
 H   -1.6860857   20.7341414    1.8643585  0.00    0.0016363   -0.0014627    0.0008538
 C   -3.8577864   17.2110673    6.6130548  0.00    0.0016386   -0.0008355   -0.0026626
 H   -2.9877017   16.5663299    6.4738295  0.00    0.0006020   -0.0000551   -0.0003319
 C   -5.0930478   16.3102782    6.6513880  0.00   -0.0008829   -0.0006478    0.0006786
 H   -6.0043422   16.9034640    6.7628074  0.00   -0.0012852   -0.0014039   -0.0015616
 H   -5.0349553   15.6256995    7.5009704  0.00   -0.0015542   -0.0006015   -0.0000919
 H   -5.1838477   15.7101372    5.7459142  0.00   -0.0010177    0.0006664   -0.0009051
 C   -3.7120789   17.9404261    7.9478635  0.00   -0.0004780   -0.0006891    0.0000177
 H   -2.8985542   18.6703196    7.9390890  0.00   -0.0010535   -0.0004988    0.0004346
 H   -3.5162247   17.2243457    8.7492792  0.00   -0.0000993   -0.0008884    0.0000557
 H   -4.6256983   18.4761857    8.2147464  0.00    0.0005275    0.0003593    0.0014011
 C    2.7091167   18.1633922    4.2781089  0.00   -0.0003966   -0.0005147    0.0003534
 C    2.8097216   19.0210988    3.1532184  0.00   -0.0008079    0.0018015   -0.0025853
 C    3.6140064   20.1512632    3.2476188  0.00   -0.0002498    0.0004055    0.0004993
 H    3.7058903   20.8122658    2.3945657  0.00    0.0006989    0.0014461   -0.0020665
 C    4.3093379   20.4440550    4.4062984  0.00    0.0009091    0.0016685    0.0002849
 H    4.9308157   21.3305264    4.4568968  0.00    0.0006190    0.0000885   -0.0003190
 C    4.2168815   19.5996906    5.4959256  0.00   -0.0005315    0.0007668   -0.0005245
 H    4.7776382   19.8297027    6.3939530  0.00    0.0000723    0.0001462    0.0002735
 C    3.4316671   18.4514819    5.4606746  0.00    0.0006598    0.0003949    0.0016495
 C    3.4403992   17.5260772    6.6569929  0.00   -0.0012869   -0.0014506   -0.0011042
 H    2.6216307   16.8146470    6.5321739  0.00   -0.0000329    0.0002725   -0.0002224
 C    4.7397520   16.7199750    6.7046786  0.00    0.0010333    0.0008319    0.0012178
 H    4.8727970   16.1167189    5.8061685  0.00    0.0013534   -0.0004041   -0.0013741
 H    4.7347228   16.0441871    7.5632283  0.00    0.0011656    0.0001958    0.0000884
 H    5.6045041   17.3811802    6.8044998  0.00   -0.0000985   -0.0019144   -0.0016638
 C    3.2416650   18.2661947    7.9781422  0.00    0.0002129    0.0007372   -0.0001000
 H    4.1092691   18.8792691    8.2321611  0.00   -0.0013133   -0.0005668    0.0001528
 H    3.1070401   17.5514424    8.7932141  0.00    0.0003384   -0.0009524   -0.0002059
 H    2.3706739   18.9265925    7.9604374  0.00    0.0008519   -0.0001838   -0.0001707
 C    2.1329827   18.7137492    1.8334776  0.00    0.0004858    0.0009262   -0.0003274
 H    1.3561740   17.9612842    2.0157846  0.00   -0.0028006   -0.0031444    0.0000908
 C    1.4723060   19.9382785    1.2083159  0.00   -0.0014544   -0.0011700    0.0001592
 H    0.7866728   20.4390486    1.8965203  0.00   -0.0009975   -0.0011069    0.0010550
 H    0.9097277   19.6474387    0.3193054  0.00   -0.0007381   -0.0007235    0.0009376
 H    2.2113249   20.6755716    0.8893156  0.00    0.0002705    0.0014840   -0.0014394
 C    3.1268543   18.0972038    0.8465197  0.00   -0.0014438    0.0017727   -0.0013361
 H    3.9353110   18.8005149    0.6303446  0.00   -0.0008481   -0.0002635    0.0003570
 H    2.6275869   17.8591577   -0.0957139  0.00    0.0005388   -0.0000169    0.0000273
 H    3.5674450   17.1799991    1.2372507  0.00    0.0004570   -0.0012767    0.0014255
 C   -0.1926067   16.9760036    7.1184801  0.00   -0.0006350    0.0014429    0.0006714
 H    0.6609496   17.5234859    7.5555020  0.00    0.0007671    0.0004881   -0.0007805
 H   -1.0958791   17.4484260    7.5421701  0.00    0.0001435   -0.0004396   -0.0018349
 C    1.4394134   14.3461362    7.3151255  0.00    0.0013456    0.0001549   -0.0004324
 H    1.5498010   14.2842459    6.2292915  0.00   -0.0019598    0.0010698   -0.0004494
 H    1.4210277   13.3232765    7.7029325  0.00    0.0000233   -0.0011516   -0.0008083
 H    2.3368156   14.8232117    7.7163921  0.00    0.0011006    0.0014102    0.0008231
 C   -0.1355071   15.3419954    9.7224142  0.00    0.0002019   -0.0003498   -0.0017967
 H    0.7246181   15.9041887   10.0959578  0.00   -0.0007259   -0.0011452    0.0016801
 H   -0.0992497   14.3440024   10.1687964  0.00   -0.0000362    0.0039719    0.0025820
 H   -1.0389035   15.8369708   10.0889172  0.00    0.0009591   -0.0012543    0.0019128
 C   -1.6095485   14.2256227    7.3049621  0.00   -0.0015184   -0.0005614   -0.0006051
 H   -2.5434415   14.6285611    7.7043940  0.00   -0.0010041    0.0010900    0.0002343
 H   -1.5116407   13.2060154    7.6894574  0.00    0.0002041   -0.0008763   -0.0009259
 H   -1.7105980   14.1591400    6.2184829  0.00    0.0019569    0.0014914   -0.0002661
129
 Energy =   -2867.2896875150
 O   -0.1340991   15.5471410    3.8369214  0.00    0.0019664    0.0018585    0.0003863
Th   -0.2013445   17.7617542    4.8618789  0.00    0.0001603   -0.0001504   -0.0000279
Si   -0.1243842   15.2361440    7.8490681  0.00   -0.0001576   -0.0011229   -0.0015866
 N   -2.1718900   16.9514398    4.1880162  0.00   -0.0008524   -0.0022622   -0.0004340
 N    1.8185375   17.0547776    4.2248645  0.00   -0.0001748   -0.0005718    0.0002376
 C   -2.5920769   13.1357090    2.5973238  0.00    0.0003935   -0.0001204    0.0001240
 H   -2.6530271   12.1384651    2.1858927  0.00   -0.0009561   -0.0010722   -0.0002114
 C   -3.7593946   13.8640593    2.7836535  0.00    0.0000243    0.0002986   -0.0008175
 C   -3.6672755   15.1559762    3.3164139  0.00   -0.0008297   -0.0001760    0.0004129
 H   -4.5555903   15.7604440    3.4538776  0.00   -0.0020152   -0.0002432    0.0001477
 C   -2.4380029   15.6932974    3.6584237  0.00   -0.0003167    0.0016612   -0.0001932
 C    2.1586387   15.8244465    3.6748736  0.00    0.0003308   -0.0011318   -0.0004191
 C    3.4179955   15.3650749    3.3301374  0.00    0.0013603    0.0016935    0.0003473
 H    4.2694803   16.0177942    3.4805814  0.00    0.0008618   -0.0007489   -0.0004222
 C    3.5874075   14.0838087    2.7905153  0.00   -0.0021311    0.0014915    0.0001664
 C    2.4656930   13.2880919    2.5989230  0.00   -0.0004019   -0.0010810    0.0000141
 H    2.5870214   12.2976782    2.1840507  0.00    0.0003985    0.0005979    0.0003273
 C   -0.0521842   12.8331226    2.7077239  0.00    0.0002656   -0.0002468   -0.0004741
 C   -1.3262962   13.6397852    2.9207299  0.00    0.0010794    0.0006659    0.0004446
 C   -1.3069174   14.9022303    3.4544214  0.00   -0.0013414    0.0010007    0.0007963
 C    1.0757866   14.9714168    3.4594020  0.00    0.0001456   -0.0000087    0.0001535
 C    1.1711955   13.7142995    2.9217546  0.00    0.0006595   -0.0001709   -0.0004512
 C   -0.0173605   11.6749488    3.7180118  0.00   -0.0002571   -0.0006869   -0.0002472
 H   -0.0286867   12.0478576    4.7440142  0.00    0.0000951   -0.0018945    0.0004814
 H    0.8860081   11.0768058    3.5816764  0.00   -0.0012688   -0.0006932    0.0004711
 H   -0.8830676   11.0234911    3.5815818  0.00    0.0013334   -0.0008117    0.0005810
 C   -0.0351552   12.2690551    1.2812288  0.00   -0.0001642   -0.0012343    0.0001161
 H   -0.8935798   11.6189165    1.1098668  0.00    0.0009921   -0.0006068   -0.0002232
 H    0.8605964   11.6713878    1.1101833  0.00   -0.0004167   -0.0009063   -0.0000936
 H   -0.0590468   13.0713028    0.5415708  0.00   -0.0000700   -0.0015516   -0.0007000
 C   -5.1334319   13.3058538    2.4145107  0.00   -0.0000387    0.0007365   -0.0000652
 C   -6.0277909   13.2847962    3.6595952  0.00    0.0008034   -0.0005683    0.0000507
 H   -5.5891211   12.6681531    4.4477638  0.00   -0.0009078    0.0005668   -0.0003575
 H   -7.0078018   12.8703412    3.4105966  0.00    0.0000636    0.0006996   -0.0010356
 H   -6.1885122   14.2863294    4.0638536  0.00    0.0006259    0.0008007   -0.0012263
 C   -5.7725921   14.1995684    1.3444910  0.00    0.0009000   -0.0005395    0.0003804
 H   -5.9082177   15.2247516    1.6959105  0.00    0.0009701   -0.0006205    0.0010066
 H   -6.7568725   13.8114552    1.0707108  0.00    0.0004403    0.0004463    0.0011939
 H   -5.1581716   14.2298254    0.4412642  0.00   -0.0006118    0.0006458    0.0007519
 C   -5.0539192   11.8848121    1.8624571  0.00    0.0011402    0.0011304    0.0008079
 H   -4.4599972   11.8343525    0.9465012  0.00    0.0002864    0.0000844    0.0004773
 H   -6.0590234   11.5345655    1.6186725  0.00    0.0007159    0.0007001    0.0005308
 H   -4.6320973   11.1868739    2.5899940  0.00    0.0000870    0.0004615   -0.0002678
 C    4.9939868   13.6074974    2.4298748  0.00   -0.0015607    0.0004357    0.0001095
 C    5.5985962   14.5513334    1.3835421  0.00   -0.0001145   -0.0001707    0.0000741
 H    6.6038672   14.2179109    1.1144491  0.00    0.0007162   -0.0000773    0.0007334
 H    5.6804982   15.5751951    1.7547891  0.00   -0.0007992   -0.0001279    0.0012204
 H    4.9934263   14.5675738    0.4737593  0.00    0.0000745    0.0007847    0.0001637
 C    5.8708404   13.6144097    3.6876293  0.00   -0.0004679   -0.0003500    0.0000457
 H    5.4578673   12.9577416    4.4570310  0.00    0.0011119    0.0001250    0.0004686
 H    5.9656846   14.6155182    4.1134255  0.00   -0.0004747    0.0008212   -0.0008823
 H    6.8768692   13.2629553    3.4456210  0.00    0.0007477    0.0004469   -0.0002409
 C    4.9988706   12.1937649    1.8542539  0.00   -0.0011312    0.0005442    0.0007171
 H    4.6105967   11.4612926    2.5662102  0.00   -0.0004583   -0.0002015    0.0002148
 H    6.0240565   11.9041387    1.6149287  0.00    0.0004459    0.0000815    0.0002333
 H    4.4165818   12.1256517    0.9320185  0.00   -0.0008850    0.0001687    0.0000934
 C   -3.1431374   17.9895881    4.2684803  0.00   -0.0021210    0.0014101   -0.0003123
 C   -3.9175643   18.1639755    5.4401210  0.00    0.0015677   -0.0001968   -0.0000565
 C   -4.8060163   19.2334521    5.4977675  0.00   -0.0003712    0.0005634   -0.0001066
 H   -5.4098370   19.3716591    6.3866800  0.00   -0.0005177    0.0003399    0.0010392
 C   -4.9397760   20.1167693    4.4452217  0.00   -0.0004179    0.0006509   -0.0001893
 H   -5.6388690   20.9422135    4.5125342  0.00   -0.0006621   -0.0004346    0.0002069
 C   -4.1795266   19.9459490    3.3026784  0.00   -0.0001352   -0.0003155   -0.0006392
 H   -4.2972980   20.6437982    2.4838323  0.00   -0.0008008    0.0010596   -0.0011003
 C   -3.2785352   18.8938267    3.1820991  0.00    0.0007173    0.0004289   -0.0005117
 C   -2.5329909   18.7126439    1.8738294  0.00    0.0000303   -0.0003626    0.0014821
 H   -1.5952972   18.1780871    2.0841104  0.00    0.0016247   -0.0005243   -0.0002848
 C   -3.3318823   17.8362364    0.9053010  0.00    0.0005057    0.0015527    0.0003814
 H   -3.5341717   16.8480796    1.3170020  0.00    0.0002860    0.0010696    0.0011200
 H   -2.7831133   17.7100399   -0.0310240  0.00   -0.0005388   -0.0006735    0.0003091
 H   -4.2880360   18.3126432    0.6726628  0.00    0.0008581   -0.0005199   -0.0000108
 C   -2.1835107   20.0316157    1.1920476  0.00    0.0001977   -0.0011710    0.0002336
 H   -3.0746200   20.5243593    0.7980451  0.00    0.0014429    0.0010905    0.0000628
 H   -1.5257604   19.8478886    0.3412639  0.00    0.0006651    0.0003894    0.0028768
 H   -1.6857599   20.7341283    1.8645408  0.00    0.0018901   -0.0007955    0.0008935
 C   -3.8582319   17.2103818    6.6127252  0.00   -0.0004359   -0.0000480   -0.0012596
 H   -2.9882785   16.5655389    6.4734924  0.00    0.0012148   -0.0003110   -0.0004431
 C   -5.0937977   16.3098220    6.6505405  0.00   -0.0010347    0.0010472    0.0004807
 H   -6.0049863   16.9033053    6.7616968  0.00   -0.0006228   -0.0018706   -0.0011190
 H   -5.0360498   15.6251878    7.5000556  0.00   -0.0016729   -0.0009460    0.0002742
 H   -5.1847317   15.7098265    5.7450042  0.00   -0.0003662    0.0005800   -0.0010730
 C   -3.7127052   17.9392501    7.9479526  0.00   -0.0003819   -0.0010212   -0.0007550
 H   -2.8989315   18.6688630    7.9395405  0.00   -0.0009236   -0.0005242    0.0005825
 H   -3.5173581   17.2228436    8.7492604  0.00    0.0001304   -0.0004971   -0.0006218
 H   -4.6261259   18.4753524    8.2148722  0.00    0.0003355   -0.0000259    0.0008975
 C    2.7088979   18.1633484    4.2781175  0.00   -0.0000294    0.0017497   -0.0017120
 C    2.8090598   19.0213109    3.1531728  0.00   -0.0000152    0.0000216    0.0008496
 C    3.6130246   20.1516883    3.2477525  0.00    0.0013134    0.0009861   -0.0003046
 H    3.7046746   20.8128471    2.3947584  0.00    0.0006450    0.0010854   -0.0017504
 C    4.3087446   20.4444731    4.4063001  0.00   -0.0004052    0.0011152   -0.0015937
 H    4.9301859   21.3310174    4.4567683  0.00    0.0001084   -0.0004240   -0.0002267
 C    4.2167011   19.5999024    5.4957522  0.00   -0.0003681   -0.0006948    0.0003310
 H    4.7777804   19.8299037    6.3935776  0.00   -0.0001745   -0.0001475    0.0006313
 C    3.4317456   18.4514209    5.4605528  0.00   -0.0003766    0.0018103    0.0002389
 C    3.4408240   17.5257753    6.6566111  0.00   -0.0019451   -0.0026324   -0.0000073
 H    2.6220962   16.8141393    6.5317486  0.00    0.0010922    0.0015651   -0.0000382
 C    4.7403613   16.7198619    6.7039688  0.00    0.0016786    0.0016908   -0.0001761
 H    4.8735151   16.1164519    5.8054857  0.00    0.0004317    0.0003151   -0.0003696
 H    4.7356643   16.0443145    7.5626429  0.00    0.0013281   -0.0004736    0.0005886
 H    5.6050298   17.3812979    6.8033058  0.00   -0.0004711   -0.0022209   -0.0011057
 C    3.2420761   18.2656126    7.9780137  0.00    0.0004336    0.0005094   -0.0007021
 H    4.1095590   18.8788384    8.2321097  0.00   -0.0012134   -0.0006470   -0.0001697
 H    3.1077512   17.5506852    8.7930343  0.00   -0.0000324   -0.0005475   -0.0007837
 H    2.3709717   18.9259086    7.9603574  0.00    0.0011259   -0.0006483    0.0001682
 C    2.1325319   18.7135770    1.8334248  0.00   -0.0014726   -0.0008448   -0.0000133
 H    1.3556463   17.9609518    2.0157933  0.00   -0.0008463   -0.0011626   -0.0002547
 C    1.4718741   19.9378187    1.2078058  0.00   -0.0010701    0.0002529   -0.0001655
 H    0.7862318   20.4386924    1.8959175  0.00   -0.0010368   -0.0008607    0.0007342
 H    0.9093480   19.6467840    0.3188044  0.00   -0.0005826   -0.0008321    0.0013637
 H    2.2109010   20.6751077    0.8885567  0.00   -0.0004453    0.0006659   -0.0008124
 C    3.1265783   18.0968837    0.8468011  0.00    0.0000776    0.0001067   -0.0002174
 H    3.9351750   18.8000895    0.6308431  0.00   -0.0008704   -0.0001527    0.0001570
 H    2.6275973   17.8587474   -0.0954858  0.00   -0.0000430   -0.0000019   -0.0008777
 H    3.5670215   17.1795690    1.2376850  0.00   -0.0000457    0.0000776    0.0010521
 C   -0.1926088   16.9764601    7.1181868  0.00    0.0004732   -0.0000087    0.0005655
 H    0.6609612   17.5238229    7.5553892  0.00    0.0004177    0.0005736   -0.0010750
 H   -1.0958896   17.4486136    7.5419660  0.00   -0.0007256    0.0003231   -0.0014488
 C    1.4395445   14.3465400    7.3152018  0.00    0.0012223   -0.0004718    0.0003506
 H    1.5499185   14.2843714    6.2294147  0.00   -0.0014105    0.0011265   -0.0009115
 H    1.4212407   13.3237496    7.7033324  0.00    0.0000025   -0.0003984   -0.0011869
 H    2.3367638   14.8239159    7.7165747  0.00    0.0010655    0.0010578    0.0003117
 C   -0.1354961   15.3423208    9.7221404  0.00    0.0001038    0.0008221   -0.0013262
 H    0.7245870   15.9043861   10.0960068  0.00   -0.0009366   -0.0008371    0.0012121
 H   -0.0991990   14.3443943   10.1684380  0.00    0.0000016    0.0022880    0.0028747
 H   -1.0389678   15.8370426   10.0888314  0.00    0.0011785   -0.0009065    0.0015728
 C   -1.6095582   14.2259457    7.3049869  0.00   -0.0009634   -0.0004046    0.0000839
 H   -2.5433017   14.6292076    7.7044749  0.00   -0.0010036    0.0006957   -0.0000656
 H   -1.5116453   13.2064671    7.6898762  0.00    0.0000286   -0.0006122   -0.0012434
 H   -1.7106184   14.1591650    6.2185555  0.00    0.0016107    0.0014219   -0.0006469
129
 Energy =   -2867.2896899470
 O   -0.1340353   15.5470905    3.8371117  0.00   -0.0001429    0.0005054   -0.0004503
Th   -0.2014108   17.7617991    4.8616115  0.00    0.0002766    0.0003002   -0.0000369
Si   -0.1243541   15.2364369    7.8487190  0.00   -0.0000196   -0.0002948    0.0003912
 N   -2.1719648   16.9512044    4.1880590  0.00   -0.0007639    0.0013570    0.0008091
 N    1.8184839   17.0546306    4.2248751  0.00    0.0004558   -0.0003562   -0.0003262
 C   -2.5921861   13.1356573    2.5975025  0.00    0.0010485   -0.0004733   -0.0003936
 H   -2.6532330   12.1383717    2.1860883  0.00   -0.0006359   -0.0007397   -0.0001081
 C   -3.7595496   13.8640247    2.7837049  0.00    0.0014528    0.0008472    0.0003224
 C   -3.6673655   15.1559497    3.3164619  0.00   -0.0011590   -0.0006451   -0.0001601
 H   -4.5557455   15.7602859    3.4539121  0.00   -0.0017586    0.0002982    0.0001745
 C   -2.4381215   15.6932053    3.6585849  0.00   -0.0001252   -0.0008160   -0.0005774
 C    2.1586850   15.8242604    3.6749365  0.00    0.0007274    0.0012313    0.0005391
 C    3.4181176   15.3650584    3.3301983  0.00   -0.0005484    0.0017242    0.0006691
 H    4.2696655   16.0176881    3.4806519  0.00    0.0004813   -0.0004220   -0.0003894
 C    3.5874047   14.0838502    2.7906405  0.00   -0.0001793   -0.0006331   -0.0002711
 C    2.4657448   13.2880376    2.5991523  0.00    0.0002549   -0.0009518   -0.0005445
 H    2.5871043   12.2976952    2.1842435  0.00    0.0006510   -0.0003118    0.0000200
 C   -0.0521583   12.8329192    2.7078928  0.00    0.0001507   -0.0000005    0.0001143
 C   -1.3262852   13.6396942    2.9209506  0.00   -0.0012329   -0.0004454    0.0003562
 C   -1.3070153   14.9021413    3.4546704  0.00    0.0015798    0.0012720    0.0000606
 C    1.0758187   14.9712558    3.4595894  0.00   -0.0002075   -0.0001823   -0.0003640
 C    1.1712842   13.7141124    2.9219627  0.00   -0.0014249    0.0004063    0.0002595
 C   -0.0173692   11.6746729    3.7181754  0.00   -0.0002134   -0.0001195   -0.0003130
 H   -0.0286408   12.0471761    4.7443391  0.00    0.0000275   -0.0010320    0.0000156
 H    0.8859339   11.0765714    3.5817186  0.00   -0.0003688   -0.0013115    0.0002999
 H   -0.8830037   11.0232101    3.5816836  0.00    0.0005554   -0.0012217    0.0003328
 C   -0.0351518   12.2687344    1.2813707  0.00   -0.0000613   -0.0006984    0.0006525
 H   -0.8936049   11.6186287    1.1100656  0.00    0.0009964   -0.0009031   -0.0001390
 H    0.8606357   11.6710976    1.1104172  0.00   -0.0005532   -0.0011073   -0.0001435
 H   -0.0590531   13.0708125    0.5415150  0.00   -0.0000174   -0.0011752   -0.0001865
 C   -5.1336282   13.3060580    2.4145544  0.00    0.0008133   -0.0003964   -0.0000523
 C   -6.0279491   13.2849705    3.6596151  0.00    0.0001691    0.0006417   -0.0007348
 H   -5.5894710   12.6680546    4.4476265  0.00   -0.0007597    0.0003169    0.0000784
 H   -7.0080711   12.8708966    3.4103933  0.00    0.0001195    0.0007270   -0.0006279
 H   -6.1883110   14.2865331    4.0639526  0.00    0.0003378    0.0004746   -0.0009200
 C   -5.7725022   14.1998587    1.3445303  0.00    0.0003793   -0.0000402    0.0007580
 H   -5.9077559   15.2250746    1.6959274  0.00    0.0007561   -0.0003160    0.0009786
 H   -6.7569092   13.8120524    1.0708325  0.00    0.0002890    0.0004137    0.0009531
 H   -5.1580668   14.2299169    0.4413414  0.00   -0.0004672    0.0005545    0.0003526
 C   -5.0544367   11.8850646    1.8624745  0.00    0.0005557    0.0004851    0.0001714
 H   -4.4606111   11.8344120    0.9465006  0.00    0.0007660    0.0002083    0.0001613
 H   -6.0596378   11.5351095    1.6186819  0.00    0.0006487    0.0006990    0.0004117
 H   -4.6329382   11.1868721    2.5898954  0.00    0.0006944    0.0003450    0.0003421
 C    4.9940272   13.6076281    2.4299804  0.00   -0.0008338    0.0004739    0.0003061
 C    5.5984754   14.5515921    1.3836279  0.00   -0.0000290   -0.0003100    0.0001987
 H    6.6038923   14.2184351    1.1145977  0.00    0.0000781    0.0001438    0.0008149
 H    5.6800135   15.5755116    1.7548464  0.00   -0.0006721   -0.0004090    0.0010274
 H    4.9932634   14.5675841    0.4738422  0.00    0.0004354    0.0008481    0.0003747
 C    5.8709235   13.6145547    3.6877348  0.00   -0.0000924    0.0000849   -0.0004255
 H    5.4582206   12.9575405    4.4569964  0.00    0.0010909    0.0003255    0.0004241
 H    5.9654047   14.6156476    4.1136904  0.00   -0.0003390    0.0004524   -0.0007695
 H    6.8770998   13.2635089    3.4455689  0.00    0.0001447    0.0006541   -0.0000095
 C    4.9993069   12.1939234    1.8543306  0.00   -0.0006562    0.0000388    0.0000411
 H    4.6113064   11.4612199    2.5662159  0.00   -0.0007143    0.0001151    0.0001160
 H    6.0246583   11.9046199    1.6150259  0.00   -0.0006082    0.0003295    0.0003709
 H    4.4171159   12.1257258    0.9320210  0.00   -0.0009059    0.0000179    0.0003949
 C   -3.1430986   17.9895514    4.2685643  0.00    0.0007649   -0.0006412   -0.0013248
 C   -3.9175075   18.1637815    5.4400745  0.00   -0.0013518    0.0015926    0.0011477
 C   -4.8057952   19.2335081    5.4978338  0.00    0.0001262   -0.0000680    0.0004959
 H   -5.4098116   19.3716776    6.3866640  0.00   -0.0000652    0.0000893    0.0007415
 C   -4.9391816   20.1171080    4.4454792  0.00   -0.0001990   -0.0000868   -0.0012993
 H   -5.6382684   20.9426328    4.5127913  0.00    0.0002116   -0.0010399    0.0000801
 C   -4.1787728   19.9461891    3.3029694  0.00   -0.0012141    0.0020716   -0.0008232
 H   -4.2963042   20.6442716    2.4842226  0.00   -0.0006752    0.0004332   -0.0005222
 C   -3.2780475   18.8939084    3.1822829  0.00    0.0003219   -0.0000053    0.0003325
 C   -2.5324064   18.7125661    1.8741501  0.00    0.0002126    0.0006484    0.0002658
 H   -1.5946442   18.1779638    2.0843772  0.00    0.0004555   -0.0000230   -0.0004084
 C   -3.3313892   17.8363635    0.9055512  0.00    0.0010457    0.0003840    0.0007989
 H   -3.5332447   16.8480484    1.3170560  0.00    0.0000486    0.0008843    0.0009470
 H   -2.7828125   17.7105843   -0.0309359  0.00   -0.0006130   -0.0007319    0.0002233
 H   -4.2877365   18.3125397    0.6733538  0.00    0.0007613   -0.0002499   -0.0000727
 C   -2.1829482   20.0315177    1.1923086  0.00    0.0006228   -0.0000433    0.0017229
 H   -3.0739601   20.5242430    0.7980608  0.00    0.0012962    0.0009298    0.0004626
 H   -1.5250457   19.8479188    0.3417282  0.00    0.0014286   -0.0002226    0.0017847
 H   -1.6852356   20.7340479    1.8648761  0.00    0.0012307   -0.0009367    0.0004383
 C   -3.8585516   17.2098777    6.6124070  0.00   -0.0002543   -0.0005520   -0.0000330
 H   -2.9885832   16.5649065    6.4731554  0.00   -0.0002089    0.0004470   -0.0001486
 C   -5.0943897   16.3095951    6.6499351  0.00   -0.0001046   -0.0005691   -0.0002736
 H   -6.0055082   16.9031398    6.7608130  0.00   -0.0010517   -0.0009632   -0.0005249
 H   -5.0369264   15.6248418    7.4994431  0.00   -0.0018056   -0.0003533   -0.0004541
 H   -5.1853985   15.7096771    5.7443082  0.00    0.0001429    0.0008015   -0.0004672
 C   -3.7131763   17.9383867    7.9479072  0.00   -0.0005798   -0.0004062   -0.0003332
 H   -2.8992586   18.6678394    7.9399708  0.00   -0.0005170   -0.0007041    0.0003214
 H   -3.5182803   17.2218106    8.7491928  0.00    0.0002583   -0.0006451   -0.0010520
 H   -4.6264256   18.4748315    8.2148485  0.00    0.0003055   -0.0006066    0.0003351
 C    2.7087050   18.1633391    4.2779666  0.00    0.0007634    0.0014464    0.0018946
 C    2.8085192   19.0214444    3.1531979  0.00    0.0000544    0.0011756   -0.0011815
 C    3.6122811   20.1521035    3.2477590  0.00   -0.0003615   -0.0006042   -0.0007296
 H    3.7035074   20.8133692    2.3947658  0.00    0.0008741    0.0008419   -0.0011625
 C    4.3081730   20.4448242    4.4061922  0.00   -0.0002378   -0.0002956    0.0002035
 H    4.9295085   21.3314475    4.4566857  0.00    0.0000253   -0.0005114   -0.0002442
 C    4.2165425   19.5999672    5.4956198  0.00   -0.0000921    0.0011594   -0.0015645
 H    4.7778897   19.8298280    6.3933115  0.00   -0.0002346    0.0000761    0.0006895
 C    3.4317655   18.4514291    5.4604150  0.00   -0.0017869   -0.0004182   -0.0013320
 C    3.4410399   17.5254519    6.6563102  0.00    0.0011238    0.0007731   -0.0004195
 H    2.6224591   16.8138265    6.5313500  0.00   -0.0000893    0.0003598   -0.0000176
 C    4.7408594   16.7198604    6.7034672  0.00   -0.0005620   -0.0007527    0.0003861
 H    4.8740940   16.1162428    5.8050957  0.00   -0.0002413    0.0005262   -0.0000053
 H    4.7363817   16.0444903    7.5623761  0.00    0.0016389    0.0000623   -0.0004928
 H    5.6053967   17.3813081    6.8024098  0.00    0.0008936   -0.0005022   -0.0005287
 C    3.2423584   18.2652595    7.9777924  0.00    0.0003190   -0.0009976   -0.0005891
 H    4.1097680   18.8784694    8.2319539  0.00   -0.0003276   -0.0002472   -0.0003306
 H    3.1081581   17.5502501    8.7927838  0.00   -0.0002736   -0.0003549   -0.0009202
 H    2.3713229   18.9255960    7.9602402  0.00    0.0004625   -0.0006787    0.0001414
 C    2.1319766   18.7133960    1.8334300  0.00    0.0002012    0.0002846    0.0003566
 H    1.3551484   17.9606281    2.0158375  0.00   -0.0002563   -0.0002376   -0.0004496
 C    1.4714329   19.9375878    1.2075085  0.00   -0.0003809   -0.0002706    0.0003862
 H    0.7856715   20.4383949    1.8955415  0.00   -0.0009464   -0.0004045    0.0003670
 H    0.9091023   19.6463155    0.3185133  0.00   -0.0011142   -0.0007912    0.0008923
 H    2.2105163   20.6748683    0.8881546  0.00   -0.0011500   -0.0000633   -0.0002576
 C    3.1263428   18.0967348    0.8470538  0.00   -0.0010964   -0.0005553   -0.0001407
 H    3.9349323   18.7999645    0.6312767  0.00   -0.0005637    0.0000425    0.0001579
 H    2.6275328   17.8586037   -0.0953443  0.00    0.0002219   -0.0000805   -0.0007050
 H    3.5666674   17.1794097    1.2380868  0.00   -0.0000247    0.0002915    0.0008475
 C   -0.1925581   16.9768840    7.1180323  0.00    0.0003942   -0.0006150   -0.0000186
 H    0.6610555   17.5242765    7.5551522  0.00    0.0000439    0.0003306   -0.0009398
 H   -1.0959222   17.4489967    7.5416991  0.00   -0.0004560    0.0002354   -0.0012254
 C    1.4397584   14.3469178    7.3152033  0.00    0.0004994    0.0004592   -0.0007605
 H    1.5498609   14.2846560    6.2293402  0.00   -0.0006259    0.0010040    0.0000307
 H    1.4213993   13.3242016    7.7034691  0.00    0.0003678   -0.0006166   -0.0010225
 H    2.3368814   14.8246245    7.7165775  0.00    0.0002385    0.0002569   -0.0003235
 C   -0.1355026   15.3425912    9.7217954  0.00    0.0000321    0.0007090    0.0003361
 H    0.7244576   15.9044498   10.0961352  0.00   -0.0002422    0.0001450    0.0005770
 H   -0.0991743   14.3448446   10.1683204  0.00    0.0001008    0.0004595    0.0023998
 H   -1.0389308   15.8369890   10.0889153  0.00    0.0004451    0.0000486    0.0009036
 C   -1.6096690   14.2262461    7.3049681  0.00   -0.0001716    0.0004727   -0.0005666
 H   -2.5433506   14.6298321    7.7044103  0.00   -0.0002953    0.0000260   -0.0005306
 H   -1.5116860   13.2068543    7.6900582  0.00   -0.0003343   -0.0006038   -0.0012571
 H   -1.7104393   14.1593899    6.2184940  0.00    0.0008534    0.0010696   -0.0002080
129
 Energy =   -2867.2896929220
 O   -0.1340239   15.5471001    3.8374111  0.00   -0.0007931    0.0004940   -0.0004468
Th   -0.2014939   17.7622105    4.8610477  0.00    0.0004980   -0.0005370    0.0005742
Si   -0.1242813   15.2369993    7.8483314  0.00    0.0001495    0.0005406    0.0020202
 N   -2.1720020   16.9510386    4.1882700  0.00    0.0000759   -0.0005534    0.0000632
 N    1.8183338   17.0544822    4.2248986  0.00    0.0012982    0.0023144    0.0002866
 C   -2.5922967   13.1356280    2.5978853  0.00   -0.0000967   -0.0010128   -0.0000913
 H   -2.6534276   12.1382828    2.1865042  0.00   -0.0006769    0.0000891    0.0002263
 C   -3.7597147   13.8640910    2.7839223  0.00    0.0023084   -0.0014777   -0.0010311
 C   -3.6675115   15.1559352    3.3166028  0.00    0.0002634   -0.0002181    0.0012614
 H   -4.5558627   15.7603175    3.4540509  0.00   -0.0019150    0.0006756    0.0001561
 C   -2.4382072   15.6930053    3.6588684  0.00    0.0007011    0.0025914    0.0001436
 C    2.1587119   15.8241914    3.6751686  0.00   -0.0016075    0.0003230    0.0001705
 C    3.4181252   15.3651585    3.3304325  0.00    0.0002503    0.0001494    0.0003730
 H    4.2697184   16.0177458    3.4808736  0.00    0.0000578   -0.0003456   -0.0004710
 C    3.5874369   14.0838648    2.7909362  0.00   -0.0001606    0.0005239    0.0002299
 C    2.4658251   13.2880017    2.5995975  0.00   -0.0013509   -0.0005496   -0.0001058
 H    2.5870702   12.2977365    2.1846345  0.00    0.0014385   -0.0014885   -0.0003482
 C   -0.0521484   12.8327451    2.7083987  0.00   -0.0016636    0.0007598    0.0009747
 C   -1.3263899   13.6395849    2.9214624  0.00    0.0007686   -0.0002683   -0.0005171
 C   -1.3070099   14.9021205    3.4551055  0.00    0.0003664   -0.0028961   -0.0009064
 C    1.0757693   14.9711354    3.4599547  0.00    0.0013812   -0.0000961   -0.0000634
 C    1.1712524   13.7139615    2.9224753  0.00   -0.0004272    0.0003634   -0.0004387
 C   -0.0173780   11.6743952    3.7186048  0.00   -0.0006303    0.0001475    0.0001616
 H   -0.0285750   12.0462892    4.7450309  0.00   -0.0000105   -0.0002589   -0.0011779
 H    0.8858576   11.0763596    3.5819161  0.00    0.0004961   -0.0019789    0.0001522
 H   -0.8829658   11.0229395    3.5819744  0.00    0.0003146   -0.0013349    0.0001455
 C   -0.0351367   12.2684407    1.2818967  0.00   -0.0007877    0.0006214    0.0002131
 H   -0.8936304   11.6183899    1.1106140  0.00    0.0012190   -0.0011349    0.0000785
 H    0.8606573   11.6708744    1.1110152  0.00   -0.0001136   -0.0017245   -0.0002135
 H   -0.0590650   13.0703587    0.5417856  0.00    0.0001026   -0.0014875    0.0008304
 C   -5.1339325   13.3064497    2.4146460  0.00    0.0012329   -0.0003411    0.0000567
 C   -6.0283209   13.2854624    3.6596236  0.00    0.0001619    0.0009517   -0.0008532
 H   -5.5902226   12.6680334    4.4474471  0.00   -0.0008911    0.0004222    0.0000727
 H   -7.0086426   12.8720378    3.4101001  0.00    0.0000932    0.0008243   -0.0003317
 H   -6.1880523   14.2870272    4.0641820  0.00   -0.0000222    0.0004834   -0.0005408
 C   -5.7723419   14.2005658    1.3446444  0.00    0.0005114    0.0002293    0.0009848
 H   -5.9069149   15.2258670    1.6960116  0.00    0.0005219    0.0000585    0.0010908
 H   -6.7569644   13.8133568    1.0710000  0.00   -0.0001276    0.0002605    0.0007181
 H   -5.1578579   14.2302776    0.4415015  0.00   -0.0003688    0.0004411   -0.0000759
 C   -5.0553604   11.8855491    1.8624725  0.00    0.0018943   -0.0007937   -0.0001047
 H   -4.4615461   11.8346570    0.9465145  0.00    0.0009709    0.0002246    0.0000636
 H   -6.0606581   11.5360462    1.6186084  0.00   -0.0001136    0.0007409    0.0001662
 H   -4.6343144   11.1869665    2.5897950  0.00    0.0009387    0.0007245    0.0003799
 C    4.9941295   13.6079783    2.4302484  0.00    0.0003397   -0.0009186   -0.0003516
 C    5.5982093   14.5521825    1.3838403  0.00   -0.0003237    0.0006391    0.0012486
 H    6.6038330   14.2196160    1.1148683  0.00   -0.0000102    0.0000490    0.0008042
 H    5.6790827   15.5762276    1.7550395  0.00   -0.0005485   -0.0013080    0.0005640
 H    4.9929248   14.5677831    0.4741014  0.00    0.0005831    0.0008617    0.0001484
 C    5.8711292   13.6149541    3.6879427  0.00   -0.0000646    0.0013626   -0.0002555
 H    5.4589297   12.9573730    4.4570017  0.00    0.0010893    0.0005156    0.0002660
 H    5.9649367   14.6160223    4.1142263  0.00   -0.0001809   -0.0004098   -0.0008012
 H    6.8775338   13.2646820    3.4455395  0.00   -0.0001381    0.0007715    0.0000537
 C    5.0000309   12.1942769    1.8544705  0.00   -0.0006401    0.0001193    0.0001433
 H    4.6124399   11.4612427    2.5662726  0.00   -0.0009392    0.0005570   -0.0001431
 H    6.0255588   11.9054417    1.6151401  0.00   -0.0012860    0.0007314    0.0004651
 H    4.4179160   12.1259930    0.9321269  0.00   -0.0010977   -0.0002901    0.0003625
 C   -3.1428411   17.9894245    4.2687206  0.00   -0.0015636    0.0000386    0.0014078
 C   -3.9176276   18.1635016    5.4401305  0.00   -0.0001052    0.0001459    0.0000948
 C   -4.8054594   19.2335304    5.4980199  0.00   -0.0011458    0.0016124   -0.0006172
 H   -5.4099296   19.3717297    6.3865739  0.00    0.0005766   -0.0004624    0.0003948
 C   -4.9381640   20.1176135    4.4458426  0.00   -0.0004019   -0.0015246    0.0006284
 H   -5.6373484   20.9430805    4.5130880  0.00    0.0009706   -0.0008324    0.0001227
 C   -4.1774406   19.9468309    3.3035761  0.00    0.0000822    0.0001126   -0.0009378
 H   -4.2945389   20.6451187    2.4850349  0.00   -0.0006463    0.0013419   -0.0016101
 C   -3.2770705   18.8940951    3.1827493  0.00   -0.0010932    0.0021869    0.0000525
 C   -2.5314038   18.7125016    1.8746758  0.00    0.0008790    0.0011921   -0.0002246
 H   -1.5935554   18.1778186    2.0848574  0.00   -0.0005909    0.0005287   -0.0005244
 C   -3.3305361   17.8363760    0.9062025  0.00    0.0012418   -0.0005200    0.0008097
 H   -3.5316453   16.8477912    1.3174189  0.00   -0.0000579    0.0004954    0.0009898
 H   -2.7824852   17.7112834   -0.0306734  0.00   -0.0005346   -0.0007643    0.0000678
 H   -4.2872626   18.3121480    0.6748759  0.00    0.0003827    0.0001044   -0.0002528
 C   -2.1820302   20.0313281    1.1926547  0.00    0.0002130    0.0007603    0.0012509
 H   -3.0730358   20.5237782    0.7979465  0.00    0.0015325    0.0008621    0.0011551
 H   -1.5238580   19.8479358    0.3422870  0.00    0.0017719   -0.0009950    0.0014187
 H   -1.6845943   20.7340050    1.8652154  0.00    0.0011876   -0.0001012    0.0008847
 C   -3.8594032   17.2087282    6.6118140  0.00   -0.0011440    0.0005274    0.0010281
 H   -2.9895494   16.5635523    6.4725246  0.00   -0.0010578    0.0009084   -0.0000858
 C   -5.0957650   16.3090137    6.6484487  0.00    0.0001310   -0.0004148   -0.0003033
 H   -6.0066392   16.9029966    6.7589343  0.00   -0.0009002   -0.0007637    0.0001732
 H   -5.0390109   15.6239877    7.4978163  0.00   -0.0020365   -0.0000722   -0.0008768
 H   -5.1869770   15.7094136    5.7426247  0.00    0.0010652    0.0007358   -0.0004325
 C   -3.7143802   17.9364740    7.9478511  0.00   -0.0005873   -0.0005912    0.0000575
 H   -2.9001000   18.6654916    7.9408123  0.00    0.0000501   -0.0007634    0.0001032
 H   -3.5204114   17.2194932    8.7490307  0.00    0.0003194   -0.0006866   -0.0017255
 H   -4.6273507   18.4734739    8.2146523  0.00   -0.0000100   -0.0010610   -0.0001962
 C    2.7083909   18.1633957    4.2779530  0.00   -0.0002793    0.0010614   -0.0008099
 C    2.8075191   19.0217441    3.1531854  0.00   -0.0006682   -0.0013430    0.0011023
 C    3.6108241   20.1526593    3.2477891  0.00    0.0009894    0.0014155   -0.0011141
 H    3.7016098   20.8141425    2.3948197  0.00    0.0007547    0.0002760   -0.0001644
 C    4.3072410   20.4453118    4.4060461  0.00   -0.0014371   -0.0010178   -0.0016570
 H    4.9285789   21.3319287    4.4563324  0.00   -0.0001750   -0.0000678   -0.0000931
 C    4.2163730   19.6001416    5.4952465  0.00   -0.0004570   -0.0010396   -0.0000983
 H    4.7782697   19.8298264    6.3927279  0.00   -0.0010099   -0.0001977   -0.0002914
 C    3.4317942   18.4513104    5.4600957  0.00    0.0004894    0.0014967   -0.0003371
 C    3.4418082   17.5248717    6.6556303  0.00    0.0003915    0.0006415   -0.0007820
 H    2.6233700   16.8130534    6.5306148  0.00    0.0006870    0.0008414    0.0002380
 C    4.7419831   16.7197715    6.7022453  0.00   -0.0002764   -0.0003643   -0.0002219
 H    4.8754188   16.1160112    5.8039634  0.00   -0.0014395    0.0006744    0.0004712
 H    4.7381902   16.0446818    7.5613555  0.00    0.0018171   -0.0001837   -0.0004251
 H    5.6062761   17.3815986    6.8004807  0.00    0.0011024   -0.0001047    0.0001870
 C    3.2432150   18.2643046    7.9773589  0.00    0.0013530   -0.0009216   -0.0003215
 H    4.1105095   18.8776913    8.2314606  0.00    0.0000440   -0.0002973   -0.0004936
 H    3.1094563   17.5492155    8.7923438  0.00   -0.0006245   -0.0005995   -0.0011519
 H    2.3721752   18.9245686    7.9601345  0.00   -0.0003088   -0.0007121    0.0000921
 C    2.1311966   18.7130111    1.8334420  0.00   -0.0003600    0.0003611   -0.0001856
 H    1.3543863   17.9600219    2.0158585  0.00    0.0011084    0.0014147   -0.0005388
 C    1.4707498   19.9368890    1.2067670  0.00    0.0008875    0.0000108    0.0005294
 H    0.7848125   20.4378145    1.8945132  0.00   -0.0010778    0.0002109    0.0001187
 H    0.9087131   19.6452283    0.3177459  0.00   -0.0014843   -0.0010465    0.0006639
 H    2.2099422   20.6740884    0.8871566  0.00   -0.0021347   -0.0009364    0.0005639
 C    3.1260632   18.0962474    0.8476323  0.00   -0.0003604   -0.0012257    0.0004843
 H    3.9346859   18.7995833    0.6322909  0.00   -0.0005583   -0.0001882    0.0000341
 H    2.6277918   17.8580217   -0.0950058  0.00    0.0000350   -0.0002376   -0.0009355
 H    3.5662879   17.1789642    1.2390344  0.00   -0.0004300    0.0011128    0.0003844
 C   -0.1924716   16.9774190    7.1174849  0.00    0.0000549   -0.0003147    0.0001792
 H    0.6611387   17.5248514    7.5545888  0.00   -0.0003454    0.0002059   -0.0009666
 H   -1.0959745   17.4494055    7.5410797  0.00    0.0000786    0.0001834   -0.0013322
 C    1.4400185   14.3475795    7.3152870  0.00    0.0000530    0.0007337   -0.0008775
 H    1.5497686   14.2851042    6.2294051  0.00    0.0003124    0.0008462    0.0002890
 H    1.4218481   13.3249688    7.7038756  0.00    0.0005604   -0.0002096   -0.0010985
 H    2.3369317   14.8258451    7.7166011  0.00   -0.0004101   -0.0005443   -0.0010827
 C   -0.1354951   15.3431014    9.7214128  0.00   -0.0000267    0.0002437    0.0017051
 H    0.7243297   15.9046420   10.0964110  0.00    0.0003860    0.0011960   -0.0001268
 H   -0.0990762   14.3453624   10.1678266  0.00    0.0001815   -0.0011459    0.0021182
 H   -1.0389457   15.8369563   10.0890776  0.00   -0.0002619    0.0010747    0.0002517
 C   -1.6096946   14.2267860    7.3049927  0.00    0.0002856    0.0005815   -0.0005381
 H   -2.5432743   14.6308579    7.7042920  0.00    0.0002856   -0.0006263   -0.0010551
 H   -1.5117888   13.2075240    7.6905115  0.00   -0.0006518   -0.0001141   -0.0014695
 H   -1.7101217   14.1596586    6.2185163  0.00    0.0001117    0.0007680   -0.0001353
129
 Energy =   -2867.2896951960
 O   -0.1340485   15.5470736    3.8376843  0.00   -0.0009866   -0.0004180   -0.0006977
Th   -0.2015533   17.7625743    4.8605157  0.00    0.0006288   -0.0011544    0.0017162
Si   -0.1241942   15.2377003    7.8480663  0.00    0.0001856    0.0005907    0.0027686
 N   -2.1719795   16.9507887    4.1884887  0.00    0.0000119    0.0013498    0.0002652
 N    1.8182029   17.0544031    4.2249592  0.00    0.0008964    0.0024627   -0.0000609
 C   -2.5924006   13.1355135    2.5982856  0.00    0.0002733   -0.0010733   -0.0002142
 H   -2.6535724   12.1381799    2.1869296  0.00   -0.0007877   -0.0003552    0.0000607
 C   -3.7598088   13.8640395    2.7840925  0.00    0.0020820   -0.0006547   -0.0001403
 C   -3.6675536   15.1558868    3.3168185  0.00   -0.0001584   -0.0001585    0.0014536
 H   -4.5559055   15.7604068    3.4541944  0.00   -0.0010688    0.0000899    0.0000035
 C   -2.4382268   15.6928591    3.6591712  0.00    0.0007348    0.0011035   -0.0002557
 C    2.1586314   15.8240767    3.6754171  0.00   -0.0005863    0.0012083    0.0003804
 C    3.4180848   15.3651765    3.3306838  0.00   -0.0004037   -0.0005029    0.0005989
 H    4.2696238   16.0178206    3.4811156  0.00    0.0000699   -0.0003017   -0.0005470
 C    3.5874509   14.0838556    2.7912546  0.00   -0.0006190   -0.0001566    0.0002744
 C    2.4658124   13.2879032    2.6000554  0.00   -0.0003755   -0.0003511   -0.0002795
 H    2.5870017   12.2976681    2.1850097  0.00    0.0019370   -0.0017559   -0.0002996
 C   -0.0522233   12.8325830    2.7089990  0.00   -0.0006773    0.0002833    0.0002839
 C   -1.3264300   13.6394018    2.9219679  0.00   -0.0004666   -0.0005846   -0.0010048
 C   -1.3070174   14.9019359    3.4555196  0.00    0.0002115   -0.0019212   -0.0008066
 C    1.0757395   14.9709942    3.4603431  0.00    0.0007051   -0.0001540    0.0000192
 C    1.1712192   13.7137845    2.9230013  0.00   -0.0007085    0.0005648   -0.0007736
 C   -0.0174061   11.6741304    3.7191029  0.00   -0.0001856   -0.0006260   -0.0003477
 H   -0.0285075   12.0455071    4.7457054  0.00   -0.0001269    0.0006573   -0.0013198
 H    0.8858285   11.0761163    3.5821709  0.00    0.0003244   -0.0018919    0.0002179
 H   -0.8829499   11.0226695    3.5823199  0.00    0.0000817   -0.0014542    0.0001627
 C   -0.0351569   12.2682170    1.2824810  0.00   -0.0003910    0.0002632    0.0003796
 H   -0.8936395   11.6181792    1.1112089  0.00    0.0010578   -0.0014233    0.0001270
 H    0.8606800   11.6706577    1.1116420  0.00   -0.0005026   -0.0016156   -0.0000546
 H   -0.0590764   13.0699701    0.5422127  0.00    0.0001056   -0.0010012    0.0010439
 C   -5.1342057   13.3068301    2.4147184  0.00    0.0014953   -0.0005925   -0.0001867
 C   -6.0287171   13.2860093    3.6595941  0.00    0.0001992    0.0009297   -0.0008938
 H   -5.5910844   12.6680240    4.4472495  0.00   -0.0008442    0.0006710    0.0001093
 H   -7.0092817   12.8732937    3.4097953  0.00    0.0003416    0.0007832   -0.0001245
 H   -6.1877936   14.2875610    4.0644203  0.00   -0.0003937    0.0004860   -0.0004124
 C   -5.7721439   14.2013349    1.3447676  0.00    0.0003708    0.0002317    0.0007713
 H   -5.9060093   15.2267357    1.6961158  0.00    0.0002420    0.0000078    0.0011297
 H   -6.7570292   13.8147613    1.0711538  0.00    0.0000643    0.0001301    0.0007195
 H   -5.1576470   14.2306765    0.4416237  0.00   -0.0004212    0.0004904   -0.0001539
 C   -5.0562633   11.8859667    1.8624146  0.00    0.0014050   -0.0007125   -0.0003806
 H   -4.4624840   11.8348874    0.9464832  0.00    0.0014221    0.0001592   -0.0002794
 H   -6.0617540   11.5370145    1.6184517  0.00    0.0002212    0.0007467    0.0001797
 H   -4.6357311   11.1870431    2.5896548  0.00    0.0015564    0.0006027    0.0007811
 C    4.9942729   13.6082740    2.4304905  0.00    0.0002671   -0.0007009   -0.0003030
 C    5.5978843   14.5528360    1.3840996  0.00   -0.0001074    0.0000070    0.0009367
 H    6.6037417   14.2208920    1.1151538  0.00   -0.0004046   -0.0000286    0.0008881
 H    5.6780577   15.5769410    1.7552384  0.00   -0.0002558   -0.0011806    0.0006683
 H    4.9925759   14.5680055    0.4743530  0.00    0.0007873    0.0010043    0.0002747
 C    5.8713500   13.6154290    3.6881429  0.00    0.0001532    0.0009037   -0.0005576
 H    5.4597312   12.9572122    4.4569895  0.00    0.0008970    0.0008920    0.0001765
 H    5.9644355   14.6163927    4.1147660  0.00    0.0001223   -0.0001291   -0.0006413
 H    6.8780062   13.2659762    3.4455081  0.00   -0.0004944    0.0007239    0.0001813
 C    5.0007670   12.1946187    1.8545883  0.00   -0.0008004    0.0003128   -0.0000431
 H    4.6135929   11.4612633    2.5662839  0.00   -0.0013294    0.0007671   -0.0000411
 H    6.0264458   11.9062864    1.6152130  0.00   -0.0015461    0.0007470    0.0004743
 H    4.4187132   12.1262260    0.9322195  0.00   -0.0012837   -0.0004369    0.0003549
 C   -3.1426049   17.9893176    4.2689981  0.00   -0.0003126   -0.0001283    0.0003211
 C   -3.9177001   18.1631704    5.4401909  0.00   -0.0011122    0.0011573    0.0007295
 C   -4.8050712   19.2336579    5.4982085  0.00   -0.0005136    0.0002732   -0.0001214
 H   -5.4099634   19.3718488    6.3864727  0.00    0.0008578   -0.0008923    0.0007273
 C   -4.9369634   20.1182073    4.4463561  0.00   -0.0004694   -0.0018685   -0.0005774
 H   -5.6360945   20.9437225    4.5135215  0.00    0.0013485   -0.0006083    0.0002673
 C   -4.1758528   19.9475826    3.3042872  0.00   -0.0012051    0.0004299   -0.0016037
 H   -4.2924905   20.6462948    2.4860019  0.00   -0.0005490    0.0007223   -0.0014079
 C   -3.2759997   18.8944313    3.1832795  0.00   -0.0014744    0.0016086   -0.0000231
 C   -2.5302659   18.7125310    1.8752134  0.00    0.0005517    0.0011083    0.0003053
 H   -1.5923686   18.1778245    2.0853803  0.00   -0.0011887    0.0009671   -0.0005376
 C   -3.3294791   17.8362980    0.9069297  0.00    0.0006784   -0.0007587    0.0009649
 H   -3.5297531   16.8474084    1.3178514  0.00   -0.0001745    0.0006895    0.0010200
 H   -2.7820289   17.7119906   -0.0303894  0.00   -0.0003198   -0.0010388    0.0001351
 H   -4.2866758   18.3115995    0.6765472  0.00    0.0006593    0.0001773   -0.0006333
 C   -2.1810624   20.0311992    1.1929576  0.00    0.0008697    0.0014057    0.0007910
 H   -3.0720852   20.5232256    0.7977785  0.00    0.0013860    0.0012107    0.0015718
 H   -1.5225570   19.8479261    0.3428218  0.00    0.0015212   -0.0013623    0.0015340
 H   -1.6839844   20.7341124    1.8655108  0.00    0.0010543    0.0002464    0.0008449
 C   -3.8603911   17.2074879    6.6112189  0.00   -0.0017145    0.0014311    0.0017280
 H   -2.9906872   16.5621010    6.4718661  0.00   -0.0011472    0.0009866   -0.0000769
 C   -5.0972627   16.3083401    6.6467954  0.00   -0.0001889    0.0002440   -0.0004211
 H   -6.0078470   16.9028405    6.7569115  0.00   -0.0009316   -0.0008204    0.0007466
 H   -5.0413658   15.6230163    7.4959713  0.00   -0.0018353   -0.0000806   -0.0008263
 H   -5.1886480   15.7091127    5.7407351  0.00    0.0019796    0.0007239   -0.0003573
 C   -3.7157182   17.9343001    7.9478259  0.00   -0.0003579    0.0000296   -0.0003208
 H   -2.9009948   18.6628161    7.9417109  0.00    0.0002961   -0.0007300   -0.0001108
 H   -3.5227773   17.2168153    8.7487869  0.00    0.0007538   -0.0009748   -0.0017123
 H   -4.6283971   18.4718589    8.2144092  0.00   -0.0006681   -0.0012475   -0.0002765
 C    2.7080015   18.1634714    4.2778782  0.00    0.0001583    0.0009228   -0.0002109
 C    2.8063489   19.0220094    3.1532686  0.00    0.0005377   -0.0002094   -0.0003108
 C    3.6091741   20.1533775    3.2478584  0.00    0.0008306   -0.0002574   -0.0018833
 H    3.6994491   20.8151228    2.3950232  0.00    0.0007386   -0.0000223   -0.0001464
 C    4.3060597   20.4458923    4.4058497  0.00   -0.0004949   -0.0013177   -0.0008353
 H    4.9273673   21.3325991    4.4560148  0.00   -0.0009149   -0.0006130   -0.0000142
 C    4.2161066   19.6002961    5.4948693  0.00   -0.0000277    0.0003015   -0.0003702
 H    4.7785709   19.8299535    6.3920364  0.00   -0.0015333   -0.0005404   -0.0004126
 C    3.4318773   18.4512670    5.4597736  0.00   -0.0005547    0.0003552   -0.0006787
 C    3.4426384   17.5242357    6.6548621  0.00    0.0016521    0.0022882    0.0000497
 H    2.6244252   16.8122496    6.5298634  0.00   -0.0000208    0.0002885    0.0000904
 C    4.7432293   16.7196877    6.7008789  0.00   -0.0002787   -0.0000516   -0.0002196
 H    4.8767788   16.1157920    5.8027037  0.00   -0.0023105    0.0006820    0.0004407
 H    4.7402427   16.0448508    7.5601940  0.00    0.0016541   -0.0002922   -0.0005968
 H    5.6072334   17.3819618    6.7984011  0.00    0.0013827    0.0001175    0.0008610
 C    3.2442231   18.2632225    7.9769051  0.00    0.0007151   -0.0009074   -0.0006964
 H    4.1113349   18.8768088    8.2309110  0.00    0.0010477    0.0000491   -0.0004085
 H    3.1109152   17.5479809    8.7918331  0.00   -0.0009259   -0.0007509   -0.0012976
 H    2.3730676   18.9233521    7.9600181  0.00   -0.0004229   -0.0009822    0.0001449
 C    2.1303265   18.7126214    1.8334291  0.00    0.0000211    0.0001347    0.0004114
 H    1.3535425   17.9595297    2.0158784  0.00    0.0017208    0.0022774   -0.0006166
 C    1.4700761   19.9361211    1.2058982  0.00   -0.0004225   -0.0000107    0.0007835
 H    0.7839046   20.4372922    1.8932689  0.00   -0.0005678    0.0002673   -0.0004314
 H    0.9082633   19.6440034    0.3168439  0.00   -0.0012086   -0.0009434    0.0012428
 H    2.2093101   20.6731325    0.8860091  0.00   -0.0019052   -0.0006430    0.0008255
 C    3.1257143   18.0956001    0.8482951  0.00   -0.0003447   -0.0008907    0.0001285
 H    3.9344042   18.7990004    0.6334048  0.00   -0.0004739   -0.0003916   -0.0002628
 H    2.6280114   17.8572879   -0.0946423  0.00    0.0000216   -0.0002496   -0.0005061
 H    3.5657694   17.1783998    1.2400760  0.00   -0.0005050    0.0011646    0.0002504
 C   -0.1924018   16.9780068    7.1169494  0.00   -0.0000442   -0.0011141    0.0002804
 H    0.6611963   17.5254568    7.5540238  0.00   -0.0002971    0.0005344   -0.0007365
 H   -1.0960243   17.4498342    7.5404506  0.00   -0.0000259    0.0006217   -0.0010759
 C    1.4402523   14.3483427    7.3154180  0.00   -0.0008549    0.0004200   -0.0002854
 H    1.5497823   14.2855301    6.2295735  0.00    0.0010428    0.0008574   -0.0002420
 H    1.4223487   13.3258571    7.7044204  0.00    0.0005290    0.0002583   -0.0013394
 H    2.3369104   14.8271415    7.7166481  0.00   -0.0000695   -0.0008877   -0.0013909
 C   -0.1354933   15.3437258    9.7211286  0.00    0.0000083   -0.0006972    0.0028826
 H    0.7242364   15.9050183   10.0966611  0.00    0.0006087    0.0018804   -0.0006397
 H   -0.0989691   14.3458606   10.1672447  0.00    0.0001759   -0.0015804    0.0019913
 H   -1.0390305   15.8370867   10.0891785  0.00   -0.0005417    0.0018350   -0.0001439
 C   -1.6096648   14.2274165    7.3050610  0.00    0.0010647    0.0005076   -0.0001507
 H   -2.5431142   14.6319484    7.7041933  0.00    0.0000539   -0.0009782   -0.0011870
 H   -1.5118964   13.2083204    7.6910946  0.00   -0.0007689    0.0001201   -0.0017279
 H   -1.7098894   14.1598628    6.2186162  0.00   -0.0003743    0.0007431   -0.0005011
129
 Energy =   -2867.2896960300
 O   -0.1340396   15.5470290    3.8375712  0.00   -0.0010195   -0.0004176   -0.0005744
Th   -0.2015246   17.7624159    4.8606395  0.00    0.0002122    0.0002291    0.0000311
Si   -0.1242047   15.2376056    7.8481848  0.00    0.0000948    0.0005022    0.0023682
 N   -2.1719860   16.9508078    4.1884504  0.00   -0.0002105    0.0002187    0.0003852
 N    1.8182507   17.0544168    4.2249377  0.00    0.0006554    0.0012977    0.0003395
 C   -2.5923664   13.1354376    2.5981792  0.00    0.0000801   -0.0004432   -0.0001707
 H   -2.6536231   12.1381108    2.1868358  0.00   -0.0004725   -0.0005629   -0.0000332
 C   -3.7597183   13.8640152    2.7840305  0.00    0.0005630   -0.0007612    0.0002783
 C   -3.6675671   15.1558548    3.3167989  0.00    0.0008765    0.0006801    0.0004308
 H   -4.5559647   15.7603443    3.4541612  0.00   -0.0003129   -0.0002972   -0.0001175
 C   -2.4382068   15.6928604    3.6590893  0.00   -0.0008278    0.0004573    0.0002904
 C    2.1586415   15.8240843    3.6753667  0.00   -0.0002172    0.0003660    0.0001841
 C    3.4180913   15.3651526    3.3306346  0.00   -0.0005112   -0.0006973    0.0000296
 H    4.2696595   16.0177547    3.4810381  0.00    0.0000702   -0.0001476   -0.0004778
 C    3.5874160   14.0838290    2.7911744  0.00   -0.0003877   -0.0003593    0.0004318
 C    2.4658032   13.2878279    2.5999396  0.00   -0.0000296    0.0001802   -0.0001953
 H    2.5871085   12.2975792    2.1849164  0.00    0.0014779   -0.0014065   -0.0001885
 C   -0.0522209   12.8325488    2.7088751  0.00   -0.0007040   -0.0002455    0.0002879
 C   -1.3264257   13.6393583    2.9218440  0.00   -0.0000783   -0.0008247   -0.0001792
 C   -1.3070175   14.9018989    3.4554119  0.00    0.0003184   -0.0009457   -0.0007500
 C    1.0757591   14.9709625    3.4602532  0.00    0.0002652    0.0005438   -0.0000995
 C    1.1712177   13.7137564    2.9228641  0.00    0.0000187    0.0000145    0.0000793
 C   -0.0174116   11.6740887    3.7189722  0.00    0.0002292   -0.0008048   -0.0000951
 H   -0.0285169   12.0455291    4.7455458  0.00   -0.0001204    0.0005252   -0.0010856
 H    0.8858125   11.0760101    3.5821020  0.00    0.0001922   -0.0015579    0.0000750
 H   -0.8829172   11.0225756    3.5822359  0.00   -0.0001673   -0.0013753    0.0000071
 C   -0.0351605   12.2681561    1.2823802  0.00    0.0001529   -0.0002221    0.0001921
 H   -0.8935822   11.6180660    1.1110980  0.00    0.0006411   -0.0014943    0.0001755
 H    0.8606531   11.6705347    1.1115255  0.00   -0.0005921   -0.0013403    0.0000988
 H   -0.0590713   13.0698688    0.5420956  0.00    0.0000768   -0.0006680    0.0007802
 C   -5.1340972   13.3067285    2.4146863  0.00    0.0015121   -0.0003340    0.0000880
 C   -6.0286345   13.2859282    3.6595437  0.00    0.0004688    0.0007244   -0.0005235
 H   -5.5909951   12.6680223    4.4472684  0.00   -0.0009945    0.0005823   -0.0001026
 H   -7.0091636   12.8731247    3.4097901  0.00    0.0001310    0.0009497   -0.0003533
 H   -6.1878041   14.2874804    4.0643081  0.00   -0.0001651    0.0005136   -0.0003400
 C   -5.7721514   14.2011845    1.3447853  0.00    0.0005548    0.0002441    0.0004208
 H   -5.9061093   15.2265459    1.6961632  0.00    0.0004247    0.0001658    0.0011430
 H   -6.7570087   13.8145205    1.0711956  0.00   -0.0000538    0.0003165    0.0007436
 H   -5.1577229   14.2306172    0.4415932  0.00   -0.0003873    0.0003315   -0.0000656
 C   -5.0560701   11.8858641    1.8624140  0.00    0.0011923   -0.0004159   -0.0003668
 H   -4.4622957   11.8348180    0.9464747  0.00    0.0013822    0.0000353   -0.0002717
 H   -6.0615585   11.5368932    1.6184955  0.00    0.0001536    0.0007123    0.0000763
 H   -4.6354593   11.1870241    2.5896833  0.00    0.0013703    0.0003453    0.0007386
 C    4.9942199   13.6081921    2.4304364  0.00    0.0001844   -0.0009364   -0.0001438
 C    5.5979420   14.5526863    1.3840834  0.00   -0.0003323    0.0000846    0.0006622
 H    6.6037711   14.2206537    1.1151644  0.00   -0.0002209    0.0001478    0.0008684
 H    5.6781955   15.5767481    1.7552568  0.00   -0.0003670   -0.0007746    0.0007667
 H    4.9926905   14.5679945    0.4743015  0.00    0.0007158    0.0007241    0.0002923
 C    5.8713189   13.6153420    3.6880690  0.00   -0.0002521    0.0007696   -0.0002536
 H    5.4596771   12.9572300    4.4569993  0.00    0.0010162    0.0007314   -0.0000274
 H    5.9644946   14.6163181    4.1146071  0.00   -0.0000805    0.0000691   -0.0004151
 H    6.8779369   13.2657894    3.4455012  0.00   -0.0001405    0.0008966   -0.0001134
 C    5.0006254   12.1945310    1.8545589  0.00   -0.0010508    0.0004737    0.0000656
 H    4.6133726   11.4612361    2.5662646  0.00   -0.0011298    0.0005972   -0.0000137
 H    6.0262707   11.9061609    1.6152214  0.00   -0.0011050    0.0006892    0.0003011
 H    4.4185492   12.1261331    0.9322042  0.00   -0.0011701   -0.0004147    0.0003232
 C   -3.1426610   17.9893417    4.2689552  0.00   -0.0007797    0.0001304    0.0005353
 C   -3.9176538   18.1632438    5.4402008  0.00   -0.0016075    0.0005070    0.0002571
 C   -4.8050836   19.2336913    5.4981967  0.00   -0.0003970   -0.0002463   -0.0002128
 H   -5.4098486   19.3718916    6.3865389  0.00    0.0004512   -0.0007357    0.0007122
 C   -4.9371053   20.1181197    4.4462777  0.00    0.0003418   -0.0009744   -0.0008531
 H   -5.6361460   20.9436827    4.5135247  0.00    0.0009478   -0.0003522    0.0001923
 C   -4.1760874   19.9475087    3.3041260  0.00   -0.0002281    0.0008432   -0.0005803
 H   -4.2927939   20.6462248    2.4858383  0.00   -0.0003101    0.0006494   -0.0011051
 C   -3.2761600   18.8944072    3.1831906  0.00   -0.0005010    0.0015319    0.0003424
 C   -2.5303515   18.7125688    1.8751634  0.00   -0.0001195    0.0012269    0.0000737
 H   -1.5924859   18.1778802    2.0852819  0.00   -0.0005393    0.0006426   -0.0002048
 C   -3.3295268   17.8363549    0.9068159  0.00    0.0005336   -0.0009212    0.0011447
 H   -3.5299901   16.8475375    1.3178060  0.00    0.0002226    0.0006108    0.0008307
 H   -2.7820496   17.7118724   -0.0304645  0.00   -0.0002593   -0.0006979    0.0000631
 H   -4.2866290   18.3117243    0.6762672  0.00    0.0002683    0.0001934   -0.0003058
 C   -2.1811082   20.0312804    1.1930119  0.00    0.0009201    0.0008444    0.0006519
 H   -3.0720874   20.5234193    0.7979129  0.00    0.0012750    0.0011163    0.0012859
 H   -1.5226048   19.8479419    0.3428987  0.00    0.0016520   -0.0011654    0.0013141
 H   -1.6839341   20.7340735    1.8655916  0.00    0.0010305    0.0006295    0.0010754
 C   -3.8602068   17.2077252    6.6113540  0.00   -0.0013943    0.0002761    0.0006986
 H   -2.9904438   16.5624145    6.4719984  0.00   -0.0015410    0.0009871   -0.0000221
 C   -5.0969666   16.3084351    6.6471135  0.00   -0.0002499    0.0003432   -0.0009548
 H   -6.0076217   16.9028033    6.7572637  0.00   -0.0009810   -0.0004027    0.0005676
 H   -5.0410446   15.6231648    7.4963214  0.00   -0.0017860   -0.0002266   -0.0008264
 H   -5.1882778   15.7091813    5.7410722  0.00    0.0017798    0.0007334   -0.0003512
 C   -3.7154629   17.9346757    7.9478189  0.00   -0.0000727   -0.0002960    0.0002416
 H   -2.9008204   18.6632771    7.9415316  0.00    0.0004461   -0.0008163    0.0002161
 H   -3.5222765   17.2172566    8.7487667  0.00    0.0002983   -0.0010394   -0.0016347
 H   -4.6281721   18.4721130    8.2144656  0.00   -0.0008509   -0.0008513   -0.0002053
 C    2.7080292   18.1634709    4.2778872  0.00    0.0003942    0.0012416   -0.0010054
 C    2.8064962   19.0219911    3.1532171  0.00   -0.0002059   -0.0002936    0.0006339
 C    3.6093969   20.1532914    3.2478042  0.00   -0.0001268    0.0008750   -0.0012631
 H    3.6997572   20.8150890    2.3950054  0.00    0.0004301   -0.0002528    0.0000326
 C    4.3061468   20.4458305    4.4058754  0.00   -0.0009973   -0.0006647   -0.0014190
 H    4.9273947   21.3325643    4.4561190  0.00   -0.0007939   -0.0005406   -0.0001075
 C    4.2160544   19.6003053    5.4949045  0.00    0.0003519   -0.0001300    0.0001200
 H    4.7783686   19.8299830    6.3921636  0.00   -0.0011983   -0.0005260   -0.0005809
 C    3.4318013   18.4512984    5.4598140  0.00    0.0006176    0.0002990   -0.0006098
 C    3.4424728   17.5243787    6.6549882  0.00    0.0012932    0.0009005   -0.0002491
 H    2.6241810   16.8124415    6.5300171  0.00    0.0004670    0.0004424   -0.0000038
 C    4.7429665   16.7196941    6.7011754  0.00   -0.0001454   -0.0000017   -0.0007908
 H    4.8764617   16.1158073    5.8029888  0.00   -0.0021066    0.0005455    0.0004192
 H    4.7399459   16.0448264    7.5604631  0.00    0.0015726   -0.0001715   -0.0004649
 H    5.6070391   17.3818580    6.7987800  0.00    0.0013989    0.0004522    0.0005557
 C    3.2440254   18.2634083    7.9769430  0.00    0.0000344   -0.0006334   -0.0001225
 H    4.1111481   18.8769420    8.2309925  0.00    0.0011664    0.0001920   -0.0003149
 H    3.1105184   17.5481876    8.7918563  0.00   -0.0005696   -0.0006848   -0.0013300
 H    2.3728967   18.9235999    7.9599715  0.00   -0.0002321   -0.0011545    0.0002576
 C    2.1303893   18.7127177    1.8334457  0.00   -0.0002479    0.0001438   -0.0001197
 H    1.3535824   17.9596810    2.0158571  0.00    0.0013608    0.0017941   -0.0003323
 C    1.4700995   19.9362790    1.2060974  0.00   -0.0002783   -0.0001340    0.0003350
 H    0.7839600   20.4373943    1.8935242  0.00   -0.0007378    0.0004391   -0.0002997
 H    0.9082052   19.6442258    0.3170830  0.00   -0.0011389   -0.0010851    0.0010451
 H    2.2093007   20.6733238    0.8862413  0.00   -0.0018354   -0.0006314    0.0006806
 C    3.1256294   18.0957000    0.8481583  0.00    0.0001160   -0.0006473    0.0005141
 H    3.9343084   18.7990915    0.6332373  0.00   -0.0003491   -0.0002722   -0.0001982
 H    2.6278963   17.8574323   -0.0947733  0.00    0.0000049   -0.0003528   -0.0005131
 H    3.5657537   17.1785318    1.2399117  0.00   -0.0006129    0.0009524    0.0003258
 C   -0.1924140   16.9779073    7.1170754  0.00    0.0002257   -0.0006583    0.0001092
 H    0.6612036   17.5254458    7.5540243  0.00   -0.0004671    0.0003294   -0.0006644
 H   -1.0960281   17.4498643    7.5404325  0.00   -0.0000287    0.0004294   -0.0009560
 C    1.4402167   14.3482734    7.3153641  0.00   -0.0007068    0.0002523   -0.0001723
 H    1.5497625   14.2855662    6.2295084  0.00    0.0008318    0.0007973   -0.0002306
 H    1.4222879   13.3257279    7.7042184  0.00    0.0006164    0.0003501   -0.0011279
 H    2.3369380   14.8269556    7.7165886  0.00   -0.0001444   -0.0006798   -0.0013410
 C   -0.1354948   15.3436476    9.7212619  0.00   -0.0000070    0.0000134    0.0026847
 H    0.7242452   15.9050386   10.0966606  0.00    0.0004590    0.0016026   -0.0005145
 H   -0.0989884   14.3458563   10.1675616  0.00    0.0002226   -0.0016700    0.0017357
 H   -1.0390123   15.8371432   10.0892176  0.00   -0.0004242    0.0014902   -0.0001022
 C   -1.6096692   14.2273649    7.3050195  0.00    0.0008379    0.0004917   -0.0002724
 H   -2.5431655   14.6317927    7.7041486  0.00    0.0002060   -0.0008172   -0.0012112
 H   -1.5119190   13.2082016    7.6908727  0.00   -0.0007612    0.0001315   -0.0014228
 H   -1.7098961   14.1599410    6.2185561  0.00   -0.0001838    0.0006598   -0.0003235
129
 Energy =   -2867.2896987890
 O   -0.1340628   15.5465303    3.8372185  0.00   -0.0004136   -0.0001624    0.0008004
Th   -0.2014122   17.7618852    4.8606593  0.00   -0.0008367    0.0026433   -0.0008838
Si   -0.1241512   15.2381004    7.8487261  0.00   -0.0003699   -0.0007040    0.0012080
 N   -2.1719894   16.9505581    4.1885125  0.00   -0.0008218   -0.0005752   -0.0011083
 N    1.8183610   17.0543477    4.2248694  0.00   -0.0029188   -0.0027410   -0.0006387
 C   -2.5922863   13.1346527    2.5980033  0.00    0.0003929    0.0034635    0.0011123
 H   -2.6541648   12.1373411    2.1867981  0.00    0.0008018   -0.0005378   -0.0002169
 C   -3.7592151   13.8637228    2.7839063  0.00   -0.0075901   -0.0022152    0.0010408
 C   -3.6676826   15.1555161    3.3169583  0.00    0.0057295    0.0005121   -0.0017894
 H   -4.5563323   15.7599327    3.4541150  0.00    0.0019732   -0.0016047   -0.0001306
 C   -2.4381337   15.6925377    3.6589728  0.00   -0.0039160    0.0007732    0.0021363
 C    2.1586043   15.8238976    3.6753871  0.00    0.0003761   -0.0017916   -0.0005146
 C    3.4180220   15.3648872    3.3306601  0.00   -0.0020346   -0.0024474   -0.0014662
 H    4.2697032   16.0173255    3.4808391  0.00    0.0002180    0.0002511   -0.0001741
 C    3.5871511   14.0835096    2.7910999  0.00    0.0013649   -0.0017417    0.0010093
 C    2.4657424   13.2870688    2.5997793  0.00    0.0017488    0.0034908    0.0003387
 H    2.5877839   12.2967247    2.1848335  0.00   -0.0005960    0.0009177    0.0007294
 C   -0.0522857   12.8318905    2.7088353  0.00    0.0002333   -0.0016709   -0.0001711
 C   -1.3264691   13.6386530    2.9217190  0.00    0.0014549    0.0001775    0.0007502
 C   -1.3070083   14.9013084    3.4552660  0.00   -0.0011623   -0.0002137   -0.0016796
 C    1.0757987   14.9704730    3.4602102  0.00    0.0007865    0.0017555   -0.0015484
 C    1.1711641   13.7132059    2.9226885  0.00    0.0009949   -0.0013291    0.0016067
 C   -0.0174552   11.6732478    3.7187887  0.00    0.0022289   -0.0018021    0.0013017
 H   -0.0284926   12.0446700    4.7453514  0.00   -0.0002335    0.0004474   -0.0005720
 H    0.8856608   11.0747690    3.5821114  0.00   -0.0002754    0.0006419   -0.0004027
 H   -0.8826903   11.0213788    3.5822664  0.00   -0.0014751   -0.0003216   -0.0006423
 C   -0.0351871   12.2672823    1.2824927  0.00    0.0027440   -0.0030017   -0.0010969
 H   -0.8931923   11.6168503    1.1110822  0.00   -0.0019367   -0.0014480    0.0007538
 H    0.8604504   11.6692648    1.1115162  0.00   -0.0005887    0.0005200    0.0011890
 H   -0.0590552   13.0685989    0.5419577  0.00   -0.0000184    0.0010814   -0.0003105
 C   -5.1336856   13.3065659    2.4145427  0.00   -0.0001570    0.0015254    0.0009229
 C   -6.0286208   13.2861815    3.6591112  0.00    0.0012390   -0.0011821    0.0012433
 H   -5.5917365   12.6680138    4.4470690  0.00   -0.0003352    0.0008326   -0.0002516
 H   -7.0092861   12.8738553    3.4092402  0.00   -0.0001475    0.0006388   -0.0010672
 H   -6.1875219   14.2877146    4.0638772  0.00   -0.0001428    0.0014188   -0.0001281
 C   -5.7718683   14.2012892    1.3450585  0.00    0.0004342   -0.0008257   -0.0022147
 H   -5.9054356   15.2265286    1.6966459  0.00    0.0000305    0.0016230    0.0015197
 H   -6.7569343   13.8149222    1.0717298  0.00    0.0002153    0.0003110    0.0009163
 H   -5.1579539   14.2308238    0.4415271  0.00    0.0002284    0.0002447   -0.0000290
 C   -5.0560773   11.8857679    1.8622638  0.00    0.0008751    0.0009079   -0.0000502
 H   -4.4623387   11.8346559    0.9463086  0.00    0.0011249   -0.0003777   -0.0003064
 H   -6.0618631   11.5375707    1.6185311  0.00    0.0006402   -0.0007471   -0.0003489
 H   -4.6356558   11.1869921    2.5896692  0.00    0.0011902   -0.0004525    0.0004321
 C    4.9940417   13.6080201    2.4303976  0.00    0.0003886   -0.0010915    0.0002302
 C    5.5978259   14.5525843    1.3843318  0.00   -0.0007422    0.0002442   -0.0012222
 H    6.6037945   14.2208770    1.1156845  0.00    0.0001905   -0.0001187    0.0007145
 H    5.6775927   15.5764564    1.7556756  0.00    0.0005494    0.0016353    0.0015712
 H    4.9929944   14.5682836    0.4742995  0.00    0.0000513   -0.0002374    0.0001449
 C    5.8714158   13.6154299    3.6878098  0.00   -0.0016117   -0.0002221    0.0016259
 H    5.4605579   12.9571376    4.4570132  0.00   -0.0000785    0.0007607   -0.0004293
 H    5.9641615   14.6163508    4.1143027  0.00    0.0001742    0.0016432    0.0002902
 H    6.8781523   13.2664498    3.4453634  0.00    0.0010950    0.0002579   -0.0015049
 C    5.0007041   12.1944543    1.8545000  0.00   -0.0029360    0.0007996    0.0005615
 H    4.6135417   11.4610971    2.5661219  0.00   -0.0009930    0.0000185    0.0007586
 H    6.0263807   11.9066080    1.6153740  0.00    0.0008313   -0.0008388   -0.0007029
 H    4.4185711   12.1257862    0.9322170  0.00   -0.0008094    0.0000262   -0.0002228
 C   -3.1425986   17.9893624    4.2690437  0.00    0.0024230   -0.0007738    0.0014182
 C   -3.9174385   18.1633012    5.4404272  0.00   -0.0027798    0.0000635   -0.0018025
 C   -4.8044293   19.2340745    5.4984449  0.00    0.0005890   -0.0022044   -0.0003516
 H   -5.4090053   19.3722625    6.3869015  0.00   -0.0001128    0.0001026    0.0003358
 C   -4.9360519   20.1184679    4.4464990  0.00    0.0002924    0.0019484   -0.0012042
 H   -5.6342916   20.9445028    4.5143289  0.00   -0.0012919    0.0008016   -0.0004361
 C   -4.1751644   19.9482737    3.3041359  0.00    0.0004011   -0.0018189    0.0031024
 H   -4.2915894   20.6475929    2.4862137  0.00    0.0000001   -0.0010814   -0.0002487
 C   -3.2755020   18.8948283    3.1834413  0.00   -0.0003548    0.0006110   -0.0008834
 C   -2.5291746   18.7130047    1.8756925  0.00   -0.0036593    0.0014613   -0.0021038
 H   -1.5913751   18.1784338    2.0853674  0.00    0.0017672   -0.0007176    0.0021880
 C   -3.3281472   17.8366137    0.9072615  0.00   -0.0002219    0.0004522    0.0001859
 H   -3.5285314   16.8478968    1.3182975  0.00    0.0002776   -0.0010702    0.0014476
 H   -2.7814094   17.7121195   -0.0304742  0.00    0.0013461   -0.0003520    0.0012814
 H   -4.2853249   18.3117088    0.6769137  0.00   -0.0014109    0.0011901   -0.0003461
 C   -2.1798977   20.0317609    1.1938039  0.00    0.0015076   -0.0013515    0.0009802
 H   -3.0706908   20.5239666    0.7985748  0.00    0.0007256    0.0015904    0.0004566
 H   -1.5209315   19.8480321    0.3442721  0.00    0.0016277   -0.0002119   -0.0009475
 H   -1.6826967   20.7342053    1.8665404  0.00    0.0013024    0.0021695    0.0021064
 C   -3.8604711   17.2075434    6.6114201  0.00    0.0012307   -0.0022432   -0.0025251
 H   -2.9905236   16.5623824    6.4719655  0.00   -0.0028450    0.0007473    0.0000536
 C   -5.0972059   16.3081886    6.6467262  0.00   -0.0010985    0.0008186   -0.0012755
 H   -6.0079427   16.9023319    6.7566553  0.00   -0.0018461    0.0013087   -0.0000065
 H   -5.0424682   15.6227306    7.4958451  0.00    0.0007794   -0.0003501   -0.0007822
 H   -5.1880625   15.7093298    5.7404525  0.00    0.0012501   -0.0004520   -0.0008809
 C   -3.7156959   17.9339625    7.9477538  0.00    0.0011404    0.0006470    0.0020431
 H   -2.9009310   18.6623629    7.9417359  0.00    0.0006600   -0.0000739    0.0001770
 H   -3.5223793   17.2161086    8.7481705  0.00   -0.0000515   -0.0011992    0.0001823
 H   -4.6282838   18.4713334    8.2145084  0.00   -0.0021028    0.0000040    0.0008420
 C    2.7076027   18.1636194    4.2778064  0.00    0.0008052    0.0031489   -0.0054598
 C    2.8056367   19.0223447    3.1529924  0.00    0.0007093   -0.0029895    0.0049409
 C    3.6082268   20.1538341    3.2475387  0.00   -0.0001840    0.0019570    0.0004519
 H    3.6984253   20.8163670    2.3952386  0.00   -0.0001471   -0.0019674   -0.0003155
 C    4.3047654   20.4463219    4.4057750  0.00    0.0002809    0.0007817   -0.0024528
 H    4.9254463   21.3333775    4.4564251  0.00    0.0000734   -0.0000609   -0.0007180
 C    4.2151701   19.6006728    5.4945933  0.00    0.0000801   -0.0009904    0.0029546
 H    4.7772890   19.8303050    6.3919841  0.00   -0.0006452    0.0001332   -0.0009340
 C    3.4313034   18.4514569    5.4595782  0.00    0.0032393   -0.0002975    0.0006092
 C    3.4426170   17.5244847    6.6547425  0.00   -0.0031098   -0.0039282   -0.0015362
 H    2.6240859   16.8125409    6.5299967  0.00    0.0030590    0.0014525   -0.0003575
 C    4.7430444   16.7197254    6.7010886  0.00    0.0013700    0.0001158   -0.0022133
 H    4.8761212   16.1157240    5.8030011  0.00   -0.0011872   -0.0002270   -0.0004987
 H    4.7410726   16.0449434    7.5604866  0.00   -0.0010202    0.0004717   -0.0006874
 H    5.6072254   17.3817696    6.7982828  0.00    0.0015671    0.0013856    0.0000505
 C    3.2441244   18.2630776    7.9765221  0.00   -0.0027511    0.0030147    0.0025722
 H    4.1112073   18.8765369    8.2307440  0.00    0.0016351    0.0001722    0.0006463
 H    3.1099237   17.5476948    8.7911639  0.00    0.0006550   -0.0004717   -0.0008019
 H    2.3730553   18.9234410    7.9595196  0.00    0.0004987   -0.0014503    0.0002756
 C    2.1294176   18.7128365    1.8335667  0.00   -0.0001238    0.0007850   -0.0037421
 H    1.3525305   17.9601456    2.0157152  0.00   -0.0006965   -0.0008399    0.0015538
 C    1.4691530   19.9362529    1.2061181  0.00   -0.0003479   -0.0003170   -0.0004908
 H    0.7829687   20.4374971    1.8932638  0.00   -0.0010465    0.0008426    0.0010571
 H    0.9071100   19.6438804    0.3173866  0.00   -0.0012040   -0.0009567   -0.0003191
 H    2.2082677   20.6731855    0.8860529  0.00   -0.0011360    0.0001807    0.0001560
 C    3.1244563   18.0953931    0.8483032  0.00    0.0012039    0.0021420    0.0008741
 H    3.9331816   18.7987402    0.6338031  0.00    0.0009151    0.0005320   -0.0010100
 H    2.6273634   17.8572637   -0.0950411  0.00   -0.0009403   -0.0007420    0.0009722
 H    3.5646649   17.1785733    1.2405038  0.00   -0.0006420   -0.0010658    0.0000274
 C   -0.1923849   16.9781443    7.1171545  0.00    0.0010905    0.0003017   -0.0003469
 H    0.6613084   17.5263930    7.5531796  0.00   -0.0013027   -0.0005772    0.0000115
 H   -1.0961291   17.4508509    7.5393731  0.00    0.0000863   -0.0002091    0.0002666
 C    1.4402470   14.3489753    7.3152706  0.00   -0.0000657    0.0001557   -0.0007262
 H    1.5497478   14.2864436    6.2293415  0.00    0.0000534    0.0011262    0.0006235
 H    1.4225989   13.3262805    7.7037297  0.00    0.0004989    0.0003708   -0.0006015
 H    2.3371003   14.8276206    7.7162480  0.00   -0.0002992   -0.0008080   -0.0008816
 C   -0.1355107   15.3440855    9.7219233  0.00    0.0000451    0.0012639    0.0027725
 H    0.7241877   15.9059096   10.0969616  0.00   -0.0002481    0.0007422   -0.0005172
 H   -0.0989638   14.3465557   10.1689651  0.00    0.0002462   -0.0008335    0.0004149
 H   -1.0390663   15.8378882   10.0895806  0.00    0.0003857    0.0007801   -0.0003277
 C   -1.6095820   14.2280041    7.3048996  0.00    0.0000718    0.0005073   -0.0012856
 H   -2.5432785   14.6323315    7.7037062  0.00    0.0005472   -0.0007844   -0.0008696
 H   -1.5122211   13.2086608    7.6902960  0.00   -0.0003402   -0.0001497   -0.0006539
 H   -1.7096540   14.1607508    6.2183308  0.00    0.0004094    0.0011663    0.0007506
129
 Energy =   -2867.2897003580
 O   -0.1341296   15.5468368    3.8372820  0.00    0.0009041   -0.0003686    0.0000254
Th   -0.2014260   17.7623891    4.8605100  0.00   -0.0010383   -0.0003718   -0.0005069
Si   -0.1241260   15.2380637    7.8487985  0.00   -0.0002945   -0.0003171    0.0009188
 N   -2.1720353   16.9507570    4.1885598  0.00    0.0002642   -0.0010345   -0.0006113
 N    1.8182552   17.0545504    4.2248637  0.00   -0.0002710   -0.0006299   -0.0010311
 C   -2.5921922   13.1349288    2.5981452  0.00   -0.0013796   -0.0005992    0.0000812
 H   -2.6538952   12.1375161    2.1869314  0.00    0.0004642    0.0007535    0.0003467
 C   -3.7593041   13.8637530    2.7840096  0.00   -0.0012390    0.0010661    0.0009309
 C   -3.6675075   15.1556069    3.3170018  0.00   -0.0010556    0.0005741   -0.0003807
 H   -4.5562647   15.7599787    3.4541896  0.00    0.0028094   -0.0019857   -0.0002694
 C   -2.4381507   15.6927709    3.6590716  0.00   -0.0000836   -0.0012736    0.0000748
 C    2.1585406   15.8241086    3.6754298  0.00    0.0002833   -0.0014070   -0.0007596
 C    3.4178868   15.3649558    3.3307057  0.00    0.0005446   -0.0006408   -0.0004857
 H    4.2696308   16.0174325    3.4808616  0.00   -0.0006951   -0.0005199   -0.0003516
 C    3.5871238   14.0835526    2.7912437  0.00    0.0002197    0.0006099    0.0006023
 C    2.4656516   13.2873331    2.5999012  0.00    0.0010123    0.0004860    0.0004531
 H    2.5875481   12.2969236    2.1849954  0.00   -0.0003921    0.0013158    0.0009013
 C   -0.0522899   12.8320294    2.7090174  0.00    0.0011745   -0.0019611   -0.0001230
 C   -1.3263535   13.6388596    2.9218330  0.00   -0.0007374    0.0002074    0.0003327
 C   -1.3069830   14.9015125    3.4552884  0.00   -0.0011030    0.0014773    0.0003673
 C    1.0757711   14.9707506    3.4602516  0.00   -0.0011694    0.0008641    0.0001474
 C    1.1710633   13.7134610    2.9228603  0.00    0.0023542   -0.0018079   -0.0001206
 C   -0.0173772   11.6733318    3.7190083  0.00   -0.0006098   -0.0002505    0.0002759
 H   -0.0284907   12.0449091    4.7454780  0.00   -0.0000743    0.0002350    0.0000895
 H    0.8856832   11.0749478    3.5823143  0.00    0.0009037   -0.0002904   -0.0005167
 H   -0.8827569   11.0215335    3.5824708  0.00   -0.0002803    0.0001502   -0.0004117
 C   -0.0350927   12.2674009    1.2826532  0.00   -0.0009541   -0.0006535   -0.0009993
 H   -0.8932065   11.6170189    1.1112006  0.00   -0.0009938   -0.0009952    0.0009126
 H    0.8604175   11.6695107    1.1116497  0.00    0.0017315   -0.0010497    0.0008649
 H   -0.0590448   13.0688749    0.5422189  0.00    0.0001370    0.0001535   -0.0000629
 C   -5.1336074   13.3066821    2.4145969  0.00   -0.0009021   -0.0001212   -0.0000596
 C   -6.0285842   13.2863183    3.6591209  0.00   -0.0003063    0.0004722    0.0006300
 H   -5.5919126   12.6681733    4.4471260  0.00    0.0001258    0.0001694    0.0004109
 H   -7.0093179   12.8741412    3.4091331  0.00    0.0002491    0.0007907   -0.0009488
 H   -6.1874546   14.2879563    4.0638381  0.00    0.0001219    0.0003255   -0.0004701
 C   -5.7717901   14.2014124    1.3450736  0.00   -0.0000067    0.0013141    0.0000632
 H   -5.9052472   15.2267411    1.6968597  0.00    0.0002337   -0.0003659    0.0005832
 H   -6.7569381   13.8151476    1.0719147  0.00    0.0001674    0.0002977    0.0007490
 H   -5.1579511   14.2310028    0.4415514  0.00    0.0005138    0.0001519   -0.0007002
 C   -5.0559098   11.8858309    1.8622687  0.00    0.0005915    0.0009609    0.0008047
 H   -4.4620918   11.8347719    0.9463432  0.00    0.0008412   -0.0004528   -0.0000541
 H   -6.0617118   11.5375896    1.6185270  0.00    0.0011377   -0.0005155   -0.0002724
 H   -4.6354404   11.1870857    2.5897645  0.00    0.0006981    0.0000565   -0.0003305
 C    4.9939831   13.6080561    2.4304845  0.00   -0.0005422   -0.0003279    0.0003125
 C    5.5977275   14.5527082    1.3844211  0.00    0.0002391    0.0005401    0.0002802
 H    6.6037759   14.2210496    1.1158918  0.00   -0.0002342    0.0001465    0.0007127
 H    5.6774161   15.5765930    1.7559160  0.00    0.0004975    0.0007263    0.0011259
 H    4.9929884   14.5684393    0.4743920  0.00   -0.0003510   -0.0002811   -0.0005349
 C    5.8713646   13.6155748    3.6878957  0.00    0.0004124    0.0001026    0.0000963
 H    5.4607170   12.9572878    4.4571145  0.00   -0.0005224    0.0000372    0.0003146
 H    5.9640586   14.6165517    4.1143231  0.00    0.0000146    0.0012608    0.0001609
 H    6.8781936   13.2667132    3.4452895  0.00   -0.0000311    0.0007352   -0.0010294
 C    5.0004446   12.1945324    1.8545677  0.00   -0.0004475    0.0000608    0.0005892
 H    4.6132864   11.4611977    2.5662228  0.00   -0.0009353    0.0000280    0.0006624
 H    6.0261804   11.9065850    1.6153790  0.00   -0.0006355   -0.0004247   -0.0003734
 H    4.4182924   12.1259041    0.9323185  0.00   -0.0009721    0.0000319   -0.0004514
 C   -3.1426306   17.9894093    4.2691209  0.00   -0.0008815    0.0012344   -0.0003107
 C   -3.9176760   18.1633305    5.4404199  0.00    0.0005160   -0.0024191   -0.0017513
 C   -4.8045693   19.2340315    5.4984280  0.00   -0.0011298   -0.0003389   -0.0003157
 H   -5.4091942   19.3721864    6.3868946  0.00    0.0001332    0.0002149   -0.0002249
 C   -4.9361723   20.1183927    4.4464337  0.00   -0.0004477    0.0017674    0.0002594
 H   -5.6346503   20.9442086    4.5141123  0.00   -0.0010454    0.0014720   -0.0000974
 C   -4.1752472   19.9482557    3.3041698  0.00    0.0001021   -0.0004195    0.0009420
 H   -4.2917362   20.6474134    2.4860755  0.00    0.0000855   -0.0010353    0.0006089
 C   -3.2755596   18.8949322    3.1834861  0.00    0.0011709   -0.0015472    0.0000647
 C   -2.5292980   18.7129923    1.8757043  0.00   -0.0005443   -0.0001553   -0.0001345
 H   -1.5914783   18.1782053    2.0854892  0.00    0.0000731    0.0004720    0.0018238
 C   -3.3282331   17.8365320    0.9073858  0.00   -0.0014890    0.0002717    0.0000588
 H   -3.5285781   16.8477959    1.3185423  0.00    0.0003138   -0.0001123    0.0010943
 H   -2.7814549   17.7119322   -0.0302804  0.00    0.0014056   -0.0003224    0.0008137
 H   -4.2854425   18.3116578    0.6769203  0.00   -0.0006369    0.0005338    0.0000082
 C   -2.1797034   20.0316199    1.1938856  0.00    0.0007203    0.0002169   -0.0002508
 H   -3.0704582   20.5239140    0.7985356  0.00    0.0015989    0.0013129    0.0006138
 H   -1.5206611   19.8478024    0.3443618  0.00    0.0011556    0.0000059   -0.0001474
 H   -1.6825661   20.7341370    1.8666790  0.00    0.0010559    0.0013753    0.0016750
 C   -3.8607178   17.2073525    6.6112551  0.00   -0.0011939   -0.0000238   -0.0011942
 H   -2.9909356   16.5621711    6.4717492  0.00   -0.0009997   -0.0002129   -0.0003623
 C   -5.0975369   16.3081252    6.6463795  0.00   -0.0010402    0.0005282   -0.0004287
 H   -6.0083263   16.9022690    6.7563576  0.00   -0.0011322    0.0009338   -0.0004723
 H   -5.0428032   15.6226033    7.4954667  0.00    0.0005014   -0.0002668   -0.0009428
 H   -5.1882093   15.7092273    5.7401140  0.00    0.0009566   -0.0001613   -0.0010080
 C   -3.7158786   17.9336096    7.9477671  0.00   -0.0003662   -0.0002199    0.0010155
 H   -2.9010660   18.6619160    7.9418507  0.00    0.0009062    0.0003413    0.0002307
 H   -3.5226403   17.2155558    8.7480178  0.00   -0.0000204   -0.0011612    0.0003367
 H   -4.6285579   18.4709161    8.2145321  0.00   -0.0011728   -0.0001842    0.0009016
 C    2.7076926   18.1638740    4.2776523  0.00   -0.0001651   -0.0034240    0.0021997
 C    2.8056938   19.0222870    3.1531032  0.00    0.0001053    0.0019509   -0.0033215
 C    3.6083258   20.1538351    3.2474628  0.00   -0.0009924   -0.0007832    0.0004085
 H    3.6986773   20.8160424    2.3950390  0.00   -0.0002684   -0.0005408   -0.0011836
 C    4.3048733   20.4462258    4.4055829  0.00    0.0009848    0.0007542    0.0015018
 H    4.9258204   21.3330744    4.4561682  0.00   -0.0001166    0.0007261   -0.0006072
 C    4.2152786   19.6006545    5.4946325  0.00    0.0000731    0.0003726   -0.0013902
 H    4.7774444   19.8302505    6.3918659  0.00    0.0003566    0.0007595    0.0006331
 C    3.4314679   18.4515295    5.4595570  0.00    0.0007754   -0.0016619   -0.0015066
 C    3.4427493   17.5243218    6.6545271  0.00    0.0003810   -0.0006950    0.0002991
 H    2.6244314   16.8123948    6.5297741  0.00    0.0007679   -0.0001692   -0.0007391
 C    4.7433162   16.7197119    6.7007081  0.00    0.0011762    0.0012445   -0.0004968
 H    4.8761755   16.1156903    5.8026971  0.00   -0.0006843   -0.0007713   -0.0014991
 H    4.7413891   16.0449429    7.5601192  0.00   -0.0008306    0.0004924   -0.0007077
 H    5.6075842   17.3817881    6.7979009  0.00    0.0002626    0.0006297   -0.0004773
 C    3.2442448   18.2628599    7.9764931  0.00    0.0004280    0.0005244    0.0011306
 H    4.1113895   18.8763502    8.2306350  0.00    0.0007259   -0.0001893    0.0006920
 H    3.1102963   17.5473075    8.7910056  0.00    0.0004615   -0.0005203   -0.0005082
 H    2.3731357   18.9229126    7.9596486  0.00   -0.0013236    0.0004332    0.0001302
 C    2.1295204   18.7127262    1.8334673  0.00    0.0002737    0.0001828    0.0002113
 H    1.3527956   17.9599225    2.0157581  0.00   -0.0009544   -0.0008020    0.0012910
 C    1.4690493   19.9359346    1.2060511  0.00   -0.0012966    0.0006432   -0.0004312
 H    0.7829110   20.4373009    1.8932406  0.00   -0.0006061    0.0001902    0.0005318
 H    0.9069255   19.6434024    0.3174062  0.00   -0.0010936   -0.0008123   -0.0001173
 H    2.2080045   20.6728877    0.8858414  0.00   -0.0005303    0.0007382   -0.0002207
 C    3.1246507   18.0953440    0.8483855  0.00    0.0007182    0.0007295   -0.0002921
 H    3.9333415   18.7986957    0.6338048  0.00    0.0011317    0.0004878   -0.0008733
 H    2.6274966   17.8571009   -0.0949286  0.00   -0.0003727   -0.0004768    0.0011881
 H    3.5647426   17.1784405    1.2406081  0.00   -0.0006018   -0.0002282   -0.0000655
 C   -0.1923264   16.9780176    7.1168212  0.00    0.0000015   -0.0005996    0.0008944
 H    0.6611938   17.5261610    7.5531294  0.00   -0.0002235    0.0004990    0.0000630
 H   -1.0961265   17.4504606    7.5392434  0.00   -0.0000367    0.0004308   -0.0001983
 C    1.4401945   14.3489416    7.3152789  0.00    0.0001866   -0.0001471    0.0004814
 H    1.5497265   14.2865777    6.2294207  0.00   -0.0000442    0.0009895   -0.0006859
 H    1.4227821   13.3262173    7.7036706  0.00    0.0001885    0.0003438   -0.0007147
 H    2.3369972   14.8275813    7.7162634  0.00    0.0003797   -0.0003733   -0.0006425
 C   -0.1354848   15.3441455    9.7220800  0.00    0.0000712   -0.0005211    0.0002999
 H    0.7242704   15.9059622   10.0968984  0.00   -0.0000351    0.0009484    0.0001463
 H   -0.0988995   14.3463917   10.1687608  0.00    0.0001838    0.0006258    0.0008253
 H   -1.0390955   15.8379172   10.0895522  0.00    0.0001830    0.0009146    0.0002995
 C   -1.6094810   14.2280217    7.3048495  0.00   -0.0001829   -0.0002494    0.0003862
 H   -2.5431720   14.6322772    7.7036623  0.00   -0.0000133   -0.0003805   -0.0007370
 H   -1.5122934   13.2086222    7.6901917  0.00   -0.0001255    0.0000855   -0.0008766
 H   -1.7095711   14.1608866    6.2183583  0.00    0.0005005    0.0011217   -0.0007661
129
 Energy =   -2867.2897025950
 O   -0.1341453   15.5469744    3.8371851  0.00    0.0000869   -0.0010377    0.0000446
Th   -0.2014906   17.7625106    4.8603386  0.00   -0.0004709   -0.0005181   -0.0004728
Si   -0.1240967   15.2383009    7.8490569  0.00   -0.0000946   -0.0005939    0.0004404
 N   -2.1720980   16.9507545    4.1885097  0.00    0.0002755    0.0003519    0.0003655
 N    1.8181685   17.0546138    4.2247053  0.00   -0.0005230   -0.0010691   -0.0005871
 C   -2.5922050   13.1349011    2.5982491  0.00   -0.0004832   -0.0004221   -0.0001058
 H   -2.6536581   12.1374792    2.1870400  0.00   -0.0001629    0.0006363    0.0003294
 C   -3.7593309   13.8637228    2.7840561  0.00    0.0001766    0.0000758    0.0009229
 C   -3.6674815   15.1555332    3.3170449  0.00   -0.0005143    0.0001085   -0.0007224
 H   -4.5562432   15.7596831    3.4542215  0.00    0.0012730   -0.0003979    0.0000477
 C   -2.4382022   15.6928201    3.6590787  0.00    0.0000198   -0.0027943   -0.0000653
 C    2.1585218   15.8241525    3.6753712  0.00    0.0001845   -0.0014161   -0.0002812
 C    3.4178493   15.3648997    3.3307089  0.00    0.0000045    0.0000568   -0.0003782
 H    4.2696293   16.0172838    3.4807978  0.00   -0.0004975   -0.0000656   -0.0002009
 C    3.5870822   14.0834950    2.7913522  0.00    0.0009525    0.0005179    0.0005492
 C    2.4656449   13.2873351    2.6000259  0.00   -0.0001710    0.0000876    0.0005623
 H    2.5872989   12.2969344    2.1851533  0.00    0.0003132    0.0004862    0.0005853
 C   -0.0522295   12.8317873    2.7092578  0.00   -0.0003343   -0.0009066   -0.0011744
 C   -1.3263500   13.6388380    2.9219241  0.00   -0.0002241   -0.0009680    0.0007977
 C   -1.3070344   14.9015433    3.4552879  0.00    0.0003574    0.0016416    0.0002471
 C    1.0757353   14.9708152    3.4602618  0.00   -0.0004652   -0.0003488   -0.0003995
 C    1.1710839   13.7134219    2.9230077  0.00    0.0007410   -0.0016471    0.0002182
 C   -0.0173832   11.6729794    3.7192592  0.00    0.0001669   -0.0002036   -0.0007553
 H   -0.0284683   12.0443422    4.7457826  0.00   -0.0000916    0.0008003    0.0003371
 H    0.8857051   11.0745637    3.5824693  0.00    0.0002168    0.0002241   -0.0003953
 H   -0.8827528   11.0211464    3.5826724  0.00   -0.0001455    0.0004811   -0.0005266
 C   -0.0350913   12.2670213    1.2828033  0.00    0.0000831   -0.0007466    0.0003100
 H   -0.8931846   11.6165709    1.1113876  0.00   -0.0008283   -0.0007221    0.0010747
 H    0.8604820   11.6691069    1.1118631  0.00    0.0009468   -0.0005537    0.0009541
 H   -0.0590217   13.0684408    0.5423157  0.00    0.0000754    0.0002792   -0.0000430
 C   -5.1335591   13.3067306    2.4145659  0.00   -0.0002644    0.0004608    0.0000664
 C   -6.0286318   13.2865486    3.6589746  0.00   -0.0007156    0.0005292    0.0003127
 H   -5.5923737   12.6682445    4.4470714  0.00    0.0003018    0.0001956    0.0003849
 H   -7.0094181   12.8747603    3.4086442  0.00   -0.0001605    0.0004702   -0.0005506
 H   -6.1872814   14.2882690    4.0635750  0.00    0.0000299    0.0001514   -0.0002369
 C   -5.7716121   14.2016714    1.3451540  0.00    0.0000598    0.0007646    0.0001172
 H   -5.9047390   15.2269385    1.6972158  0.00    0.0000725   -0.0001406    0.0001753
 H   -6.7569136   13.8156474    1.0722505  0.00    0.0000982    0.0003329    0.0003230
 H   -5.1578873   14.2311998    0.4415309  0.00    0.0002123    0.0002215   -0.0003790
 C   -5.0558531   11.8859194    1.8622288  0.00    0.0001371    0.0003194   -0.0000469
 H   -4.4619757   11.8348153    0.9462854  0.00    0.0003800   -0.0003180    0.0006816
 H   -6.0617012   11.5377641    1.6184232  0.00    0.0016081   -0.0005419   -0.0002199
 H   -4.6354777   11.1870957    2.5897258  0.00    0.0006291    0.0003257   -0.0004527
 C    4.9939011   13.6080008    2.4305635  0.00   -0.0003225    0.0007755    0.0003532
 C    5.5975907   14.5528433    1.3845960  0.00   -0.0000652    0.0004346    0.0003121
 H    6.6037604   14.2214232    1.1162309  0.00   -0.0002781    0.0000633    0.0005377
 H    5.6770172   15.5766920    1.7563087  0.00    0.0005694    0.0003808    0.0007106
 H    4.9929515   14.5685615    0.4744736  0.00   -0.0000763   -0.0002434   -0.0001703
 C    5.8714198   13.6157333    3.6878840  0.00    0.0006316    0.0003629    0.0000174
 H    5.4611858   12.9572934    4.4571936  0.00   -0.0006441    0.0001219    0.0001962
 H    5.9638477   14.6167972    4.1142537  0.00    0.0000349    0.0005681    0.0000306
 H    6.8783407   13.2672842    3.4450189  0.00   -0.0001418    0.0005854   -0.0007558
 C    5.0003332   12.1945265    1.8546215  0.00   -0.0000566   -0.0005425   -0.0002036
 H    4.6132368   11.4611191    2.5662607  0.00   -0.0008680    0.0002880    0.0005643
 H    6.0260913   11.9065975    1.6153333  0.00   -0.0011437   -0.0003551   -0.0002380
 H    4.4181083   12.1258991    0.9323590  0.00   -0.0005385    0.0001522    0.0002547
 C   -3.1425817   17.9895227    4.2692137  0.00    0.0009985   -0.0007648   -0.0015979
 C   -3.9177236   18.1632657    5.4403996  0.00   -0.0004516   -0.0005112   -0.0003444
 C   -4.8042752   19.2342675    5.4985702  0.00   -0.0013298   -0.0005696   -0.0001020
 H   -5.4088318   19.3725323    6.3871071  0.00    0.0002200   -0.0001009   -0.0007629
 C   -4.9356275   20.1188248    4.4466838  0.00   -0.0004690    0.0008966    0.0003057
 H   -5.6341468   20.9445874    4.5143824  0.00   -0.0008254    0.0018135   -0.0001173
 C   -4.1745871   19.9487260    3.3044788  0.00   -0.0004035    0.0002818   -0.0005796
 H   -4.2909113   20.6480747    2.4864083  0.00    0.0002088   -0.0020945    0.0016512
 C   -3.2751009   18.8952285    3.1836972  0.00    0.0003801   -0.0006098    0.0001905
 C   -2.5287484   18.7132031    1.8759566  0.00    0.0003110   -0.0004225    0.0008251
 H   -1.5908756   18.1784245    2.0858468  0.00   -0.0006843    0.0006170    0.0017966
 C   -3.3276163   17.8365142    0.9078217  0.00   -0.0014384   -0.0001366    0.0002762
 H   -3.5275593   16.8477679    1.3192826  0.00   -0.0000176    0.0006770    0.0004496
 H   -2.7808433   17.7118466   -0.0298379  0.00    0.0012405   -0.0002739    0.0007076
 H   -4.2849938   18.3113853    0.6773987  0.00   -0.0001601    0.0003224    0.0000382
 C   -2.1788875   20.0317525    1.1941814  0.00    0.0015687    0.0011391    0.0001894
 H   -3.0694545   20.5241401    0.7985522  0.00    0.0013646    0.0013585    0.0005392
 H   -1.5195000   19.8478484    0.3448929  0.00    0.0004527    0.0002282    0.0003104
 H   -1.6818888   20.7342827    1.8672241  0.00    0.0003728    0.0003486    0.0005187
 C   -3.8611875   17.2069328    6.6109721  0.00   -0.0017303    0.0009089    0.0001435
 H   -2.9915010   16.5617391    6.4713812  0.00   -0.0003127   -0.0010238   -0.0004367
 C   -5.0981844   16.3078722    6.6455810  0.00   -0.0009207    0.0002871   -0.0010223
 H   -6.0090253   16.9020287    6.7553904  0.00   -0.0005488    0.0008160   -0.0006220
 H   -5.0437829   15.6221487    7.4945161  0.00    0.0006717   -0.0002358   -0.0006645
 H   -5.1885261   15.7090591    5.7391723  0.00    0.0007174    0.0004002   -0.0004200
 C   -3.7163045   17.9326669    7.9478855  0.00    0.0000252   -0.0003080   -0.0001091
 H   -2.9012986   18.6608218    7.9422052  0.00    0.0001827    0.0000673    0.0003145
 H   -3.5230965   17.2142145    8.7478196  0.00   -0.0001930   -0.0008947    0.0000972
 H   -4.6289212   18.4699816    8.2149166  0.00   -0.0009600   -0.0002592    0.0006893
 C    2.7074958   18.1639859    4.2775756  0.00   -0.0003964   -0.0012685   -0.0014544
 C    2.8051738   19.0225480    3.1529725  0.00   -0.0000537   -0.0004339   -0.0002093
 C    3.6075684   20.1542320    3.2473672  0.00    0.0004589   -0.0003359    0.0004939
 H    3.6978843   20.8164702    2.3949138  0.00   -0.0003443   -0.0008723   -0.0005902
 C    4.3042342   20.4465811    4.4055049  0.00    0.0001704    0.0007611   -0.0001629
 H    4.9251595   21.3334086    4.4560390  0.00    0.0001115    0.0013677   -0.0005235
 C    4.2148526   19.6009873    5.4945140  0.00   -0.0000357   -0.0014363   -0.0009580
 H    4.7769997   19.8306079    6.3917569  0.00    0.0005064    0.0008124    0.0004839
 C    3.4313730   18.4515778    5.4593590  0.00    0.0009635   -0.0006398    0.0001373
 C    3.4430229   17.5241423    6.6541857  0.00    0.0013354    0.0007029    0.0006658
 H    2.6248510   16.8121624    6.5293633  0.00    0.0001885   -0.0008620   -0.0005889
 C    4.7437988   16.7197545    6.7000301  0.00    0.0005347    0.0006608   -0.0009203
 H    4.8763756   16.1155185    5.8020702  0.00   -0.0005775   -0.0000250   -0.0009602
 H    4.7421511   16.0450648    7.5594910  0.00   -0.0008437    0.0003830   -0.0005049
 H    5.6080963   17.3818525    6.7969303  0.00   -0.0000779    0.0007116   -0.0005939
 C    3.2445080   18.2624086    7.9764220  0.00   -0.0001384   -0.0001187   -0.0005626
 H    4.1115832   18.8758999    8.2307154  0.00    0.0009140    0.0000662    0.0006558
 H    3.1105857   17.5466002    8.7906794  0.00    0.0005836   -0.0007086   -0.0000719
 H    2.3732427   18.9222689    7.9596796  0.00   -0.0009362    0.0005760    0.0002603
 C    2.1290393   18.7126744    1.8334074  0.00   -0.0007195   -0.0004938    0.0008359
 H    1.3522864   17.9598454    2.0158465  0.00   -0.0000580   -0.0002161    0.0011526
 C    1.4684112   19.9356303    1.2057455  0.00   -0.0014279    0.0006803   -0.0001526
 H    0.7824033   20.4371639    1.8929690  0.00   -0.0004493    0.0000052    0.0002110
 H    0.9060977   19.6427526    0.3173266  0.00   -0.0008945   -0.0005738   -0.0001147
 H    2.2072572   20.6725030    0.8851843  0.00   -0.0002475    0.0011080   -0.0003825
 C    3.1242784   18.0950459    0.8486474  0.00    0.0012751    0.0009582   -0.0001883
 H    3.9331328   18.7982853    0.6341094  0.00    0.0005939   -0.0000187   -0.0008001
 H    2.6272701   17.8566600   -0.0946657  0.00   -0.0005739   -0.0004864    0.0005449
 H    3.5640811   17.1781193    1.2411617  0.00   -0.0003579    0.0001038   -0.0003108
 C   -0.1922503   16.9780247    7.1165894  0.00   -0.0003426   -0.0009097    0.0004975
 H    0.6611517   17.5263435    7.5528074  0.00    0.0001846    0.0009011    0.0004275
 H   -1.0961807   17.4504255    7.5387227  0.00   -0.0003908    0.0008926    0.0002206
 C    1.4402101   14.3492610    7.3153894  0.00   -0.0001220   -0.0001037    0.0006350
 H    1.5495782   14.2871796    6.2295183  0.00    0.0000126    0.0008299   -0.0009607
 H    1.4230759   13.3264633    7.7035681  0.00    0.0000422    0.0002442   -0.0005906
 H    2.3369463   14.8280056    7.7162981  0.00    0.0009620   -0.0002258   -0.0003740
 C   -0.1354716   15.3446008    9.7223838  0.00    0.0001154    0.0000991   -0.0003355
 H    0.7242717   15.9065603   10.0970830  0.00   -0.0003187    0.0005570    0.0000837
 H   -0.0988223   14.3468729   10.1690952  0.00    0.0001575    0.0006285    0.0010133
 H   -1.0391090   15.8384264   10.0897719  0.00    0.0004221    0.0006033    0.0002674
 C   -1.6093923   14.2283277    7.3048669  0.00    0.0001331   -0.0003214    0.0004507
 H   -2.5430990   14.6325890    7.7035416  0.00   -0.0005985   -0.0002043   -0.0004368
 H   -1.5123915   13.2088446    7.6900040  0.00   -0.0000310   -0.0000464   -0.0007513
 H   -1.7092702   14.1614463    6.2183481  0.00    0.0004593    0.0010144   -0.0009394
129
 Energy =   -2867.2897050490
 O   -0.1341857   15.5470959    3.8371648  0.00    0.0003355   -0.0011125    0.0001770
Th   -0.2015804   17.7626699    4.8601360  0.00    0.0001413   -0.0004934   -0.0000026
Si   -0.1240366   15.2385831    7.8492893  0.00   -0.0000649   -0.0005343    0.0000797
 N   -2.1721870   16.9508146    4.1885829  0.00    0.0009088   -0.0020933   -0.0001346
 N    1.8180469   17.0547025    4.2245642  0.00   -0.0002256   -0.0010346   -0.0006553
 C   -2.5922281   13.1349094    2.5984921  0.00   -0.0001761   -0.0009997   -0.0000248
 H   -2.6535344   12.1374866    2.1873162  0.00   -0.0006299    0.0002858    0.0001747
 C   -3.7593406   13.8637408    2.7842399  0.00    0.0003710   -0.0008376    0.0000412
 C   -3.6675063   15.1554869    3.3171573  0.00    0.0004720   -0.0001551    0.0000578
 H   -4.5562671   15.7594691    3.4543586  0.00    0.0002476    0.0007825    0.0002183
 C   -2.4382630   15.6927891    3.6592047  0.00    0.0000950   -0.0005982    0.0001213
 C    2.1585027   15.8242062    3.6754143  0.00   -0.0005840   -0.0012917   -0.0003171
 C    3.4178078   15.3649325    3.3307950  0.00    0.0002341    0.0005435    0.0001462
 H    4.2696309   16.0172314    3.4808061  0.00   -0.0005552    0.0003470   -0.0000723
 C    3.5870821   14.0835219    2.7916097  0.00   -0.0000457   -0.0000889    0.0001749
 C    2.4656326   13.2873789    2.6003245  0.00    0.0000226   -0.0005142    0.0005410
 H    2.5871466   12.2969893    2.1854793  0.00    0.0008674   -0.0002370    0.0003295
 C   -0.0522163   12.8315238    2.7095689  0.00   -0.0008349   -0.0002001   -0.0000631
 C   -1.3263875   13.6387747    2.9221837  0.00    0.0012066   -0.0004835    0.0006308
 C   -1.3070719   14.9016090    3.4553992  0.00    0.0010624   -0.0007180    0.0000557
 C    1.0757085   14.9708608    3.4603757  0.00   -0.0007203   -0.0010565   -0.0004111
 C    1.1710815   13.7133461    2.9233088  0.00   -0.0004876   -0.0012216    0.0000107
 C   -0.0173661   11.6725536    3.7195472  0.00   -0.0000652    0.0008406   -0.0005704
 H   -0.0284347   12.0436331    4.7462324  0.00   -0.0000452    0.0009466   -0.0006716
 H    0.8857070   11.0741314    3.5825923  0.00    0.0001659    0.0003874   -0.0003384
 H   -0.8827356   11.0207094    3.5828534  0.00    0.0000240    0.0007596   -0.0005644
 C   -0.0350586   12.2665414    1.2831623  0.00   -0.0000900   -0.0004676   -0.0000567
 H   -0.8931569   11.6159731    1.1118548  0.00   -0.0001370   -0.0000562    0.0011944
 H    0.8605591   11.6685770    1.1123704  0.00    0.0004476   -0.0001464    0.0009472
 H   -0.0589922   13.0678689    0.5424963  0.00    0.0000865   -0.0003526    0.0005703
 C   -5.1335334   13.3069384    2.4145905  0.00    0.0002522    0.0004051    0.0003157
 C   -6.0287844   13.2869884    3.6588380  0.00   -0.0004021   -0.0001080    0.0000952
 H   -5.5930216   12.6684048    4.4470113  0.00    0.0001983    0.0004034    0.0001016
 H   -7.0096527   12.8757450    3.4080559  0.00   -0.0006674    0.0001154   -0.0000483
 H   -6.1870319   14.2887561    4.0633870  0.00   -0.0002971    0.0004648    0.0001306
 C   -5.7713673   14.2021636    1.3453290  0.00    0.0001422    0.0000178   -0.0002601
 H   -5.9039788   15.2273673    1.6976641  0.00   -0.0002339    0.0004158   -0.0001270
 H   -6.7568923   13.8165073    1.0727260  0.00    0.0001468    0.0004435   -0.0001139
 H   -5.1577874   14.2315490    0.4415760  0.00   -0.0001314    0.0002891   -0.0000314
 C   -5.0559925   11.8861521    1.8622046  0.00    0.0005854    0.0003689    0.0002265
 H   -4.4620591   11.8349089    0.9463047  0.00    0.0003182   -0.0000862    0.0006741
 H   -6.0618778   11.5382568    1.6183643  0.00    0.0010461   -0.0010440   -0.0004787
 H   -4.6357805   11.1872033    2.5896926  0.00    0.0005187    0.0005520   -0.0004873
 C    4.9938237   13.6081130    2.4307596  0.00    0.0004550    0.0003635    0.0000570
 C    5.5973752   14.5531646    1.3849114  0.00   -0.0002015    0.0005778    0.0000920
 H    6.6037114   14.2221010    1.1167520  0.00   -0.0002977   -0.0000268    0.0003232
 H    5.6763923   15.5769823    1.7568362  0.00    0.0007303    0.0001465    0.0002862
 H    4.9928681   14.5687957    0.4746780  0.00    0.0001432   -0.0001813    0.0001124
 C    5.8715498   13.6160666    3.6879391  0.00   -0.0000984    0.0003665    0.0003445
 H    5.4618178   12.9573428    4.4573107  0.00   -0.0005134    0.0004058   -0.0001882
 H    5.9635090   14.6171737    4.1143493  0.00    0.0002515    0.0001771   -0.0000261
 H    6.8785732   13.2682269    3.4447325  0.00    0.0002026    0.0002498   -0.0005193
 C    5.0003800   12.1946239    1.8547286  0.00   -0.0006603    0.0002131    0.0003904
 H    4.6133949   11.4611219    2.5663618  0.00   -0.0007184    0.0005450    0.0004101
 H    6.0261488   11.9069053    1.6153805  0.00   -0.0006730   -0.0007227   -0.0003918
 H    4.4180866   12.1259627    0.9325012  0.00   -0.0004353    0.0002601    0.0003439
 C   -3.1425022   17.9895822    4.2693226  0.00   -0.0005677    0.0003091   -0.0015126
 C   -3.9179457   18.1631817    5.4403684  0.00   -0.0000388   -0.0006160    0.0001717
 C   -4.8041672   19.2344208    5.4986620  0.00   -0.0008381    0.0003591   -0.0012303
 H   -5.4086588   19.3727838    6.3871810  0.00   -0.0003844   -0.0002724   -0.0002836
 C   -4.9351418   20.1192479    4.4468997  0.00   -0.0009952    0.0007232    0.0001529
 H   -5.6337379   20.9450182    4.5145979  0.00    0.0001649    0.0012753   -0.0001620
 C   -4.1739353   19.9492331    3.3047533  0.00   -0.0001155   -0.0011216    0.0009286
 H   -4.2899948   20.6486877    2.4868389  0.00    0.0000380   -0.0012627    0.0005622
 C   -3.2745911   18.8955603    3.1839586  0.00   -0.0000646   -0.0005440    0.0009543
 C   -2.5280135   18.7133342    1.8763974  0.00   -0.0007272    0.0011199    0.0000058
 H   -1.5902341   18.1784974    2.0864270  0.00   -0.0003665    0.0001592    0.0019516
 C   -3.3269949   17.8365073    0.9083930  0.00    0.0009600    0.0001159    0.0001053
 H   -3.5264378   16.8477490    1.3200832  0.00   -0.0005243    0.0007944    0.0001080
 H   -2.7802598   17.7118753   -0.0293592  0.00    0.0005468   -0.0001956    0.0013533
 H   -4.2844961   18.3111611    0.6781948  0.00   -0.0004816    0.0004108   -0.0001834
 C   -2.1777012   20.0318687    1.1946546  0.00    0.0008960   -0.0001159    0.0008729
 H   -3.0680424   20.5243880    0.7987026  0.00    0.0012967    0.0013780    0.0004793
 H   -1.5179493   19.8477372    0.3456946  0.00    0.0001346    0.0006296    0.0003221
 H   -1.6808882   20.7342565    1.8680218  0.00    0.0002590    0.0002522   -0.0000430
 C   -3.8620080   17.2063552    6.6106096  0.00   -0.0002870   -0.0000672   -0.0004936
 H   -2.9923595   16.5610364    6.4707836  0.00   -0.0012086   -0.0006238   -0.0000578
 C   -5.0992252   16.3074923    6.6443965  0.00   -0.0005157    0.0005147    0.0002247
 H   -6.0100542   16.9017529    6.7539852  0.00   -0.0002019    0.0006120   -0.0007986
 H   -5.0453242   15.6214946    7.4931895  0.00    0.0008122    0.0002078   -0.0010038
 H   -5.1891394   15.7088686    5.7378381  0.00    0.0004307    0.0004940   -0.0006457
 C   -3.7170293   17.9312870    7.9479650  0.00   -0.0009434   -0.0000845    0.0000115
 H   -2.9017223   18.6591482    7.9426953  0.00   -0.0004253    0.0000171    0.0004156
 H   -3.5240667   17.2122587    8.7475184  0.00   -0.0003345   -0.0002313   -0.0005136
 H   -4.6296004   18.4687128    8.2152414  0.00    0.0001818   -0.0006933    0.0004665
 C    2.7072635   18.1641618    4.2773515  0.00    0.0005100   -0.0019255    0.0012221
 C    2.8045538   19.0227837    3.1528489  0.00    0.0005149    0.0004005   -0.0003672
 C    3.6067926   20.1546661    3.2471784  0.00    0.0000991   -0.0012069    0.0000977
 H    3.6969581   20.8169349    2.3946988  0.00   -0.0004329   -0.0010717   -0.0002548
 C    4.3036263   20.4469794    4.4052312  0.00    0.0000311   -0.0001477    0.0003038
 H    4.9245706   21.3338075    4.4557129  0.00   -0.0001402    0.0014115   -0.0004295
 C    4.2145730   19.6011979    5.4942053  0.00    0.0009274    0.0000118   -0.0006280
 H    4.7768277   19.8309059    6.3914169  0.00    0.0002273    0.0005973   -0.0001590
 C    3.4314236   18.4516099    5.4590982  0.00   -0.0003792   -0.0004663   -0.0018698
 C    3.4435894   17.5239058    6.6536942  0.00    0.0003036   -0.0003057   -0.0002363
 H    2.6255093   16.8117648    6.5286902  0.00    0.0010588   -0.0003195   -0.0000619
 C    4.7445935   16.7197803    6.6990225  0.00   -0.0001940   -0.0001082   -0.0003043
 H    4.8768055   16.1152626    5.8011621  0.00   -0.0004965    0.0007005   -0.0006066
 H    4.7433816   16.0452306    7.5586286  0.00   -0.0008633    0.0005740   -0.0008194
 H    5.6088585   17.3819717    6.7954961  0.00   -0.0001108    0.0008345   -0.0007232
 C    3.2450044   18.2616993    7.9761842  0.00    0.0001887    0.0001619   -0.0002830
 H    4.1120548   18.8752585    8.2306651  0.00   -0.0000686   -0.0003122    0.0004403
 H    3.1112260   17.5455220    8.7901857  0.00    0.0007017   -0.0002407   -0.0003593
 H    2.3735070   18.9213278    7.9596567  0.00   -0.0000715    0.0004154    0.0003708
 C    2.1284240   18.7124801    1.8333942  0.00    0.0000701    0.0003343    0.0004159
 H    1.3517941   17.9595716    2.0159998  0.00    0.0001160   -0.0002684    0.0010743
 C    1.4675141   19.9351251    1.2053557  0.00   -0.0000512    0.0001583   -0.0002001
 H    0.7815990   20.4367232    1.8925774  0.00   -0.0006903    0.0003374    0.0002118
 H    0.9050841   19.6417060    0.3171738  0.00   -0.0006735   -0.0001103    0.0000066
 H    2.2062549   20.6719902    0.8844085  0.00   -0.0007509    0.0007541   -0.0002825
 C    3.1240004   18.0947414    0.8489852  0.00   -0.0004605   -0.0001273    0.0000257
 H    3.9329081   18.7978900    0.6345907  0.00    0.0010522    0.0003646   -0.0010020
 H    2.6271933   17.8561125   -0.0943862  0.00   -0.0003678   -0.0002207    0.0005460
 H    3.5635224   17.1778098    1.2418326  0.00   -0.0001212    0.0005201   -0.0005451
 C   -0.1921834   16.9780637    7.1163027  0.00   -0.0000704   -0.0001537    0.0006425
 H    0.6611459   17.5267362    7.5523296  0.00   -0.0003702    0.0005603    0.0004314
 H   -1.0962864   17.4505727    7.5379903  0.00   -0.0003291    0.0009354    0.0005975
 C    1.4402704   14.3497200    7.3154374  0.00    0.0004617    0.0004075   -0.0006419
 H    1.5494849   14.2879361    6.2294708  0.00   -0.0002005    0.0007538    0.0000354
 H    1.4235044   13.3268644    7.7033510  0.00   -0.0001022   -0.0003522   -0.0002407
 H    2.3369830   14.8286311    7.7161932  0.00    0.0010058   -0.0003299   -0.0001640
 C   -0.1354319   15.3450301    9.7226587  0.00    0.0000153    0.0008058   -0.0006344
 H    0.7242578   15.9071703   10.0972789  0.00   -0.0004920    0.0001778   -0.0000594
 H   -0.0986899   14.3473448   10.1694549  0.00    0.0001353    0.0006995    0.0010356
 H   -1.0390990   15.8388930   10.0900080  0.00    0.0006902    0.0002383    0.0000857
 C   -1.6092771   14.2287327    7.3047977  0.00   -0.0003129    0.0000681   -0.0005587
 H   -2.5430452   14.6330759    7.7032447  0.00   -0.0006456   -0.0002736   -0.0002220
 H   -1.5125691   13.2091706    7.6896856  0.00    0.0001167   -0.0005871   -0.0004483
 H   -1.7089105   14.1621389    6.2181788  0.00    0.0006126    0.0009603   -0.0000950
129
 Energy =   -2867.2897070930
 O   -0.1342205   15.5471977    3.8371482  0.00    0.0003042   -0.0011223    0.0003869
Th   -0.2016624   17.7629135    4.8598393  0.00    0.0004712   -0.0011933    0.0005730
Si   -0.1239523   15.2389290    7.8496770  0.00    0.0000692    0.0002534   -0.0008854
 N   -2.1722559   16.9507555    4.1886703  0.00    0.0001169    0.0002500    0.0003927
 N    1.8178615   17.0548023    4.2243454  0.00    0.0001647   -0.0012723   -0.0001520
 C   -2.5922606   13.1348596    2.5988418  0.00    0.0013356   -0.0005787    0.0003841
 H   -2.6535349   12.1374874    2.1877135  0.00   -0.0007610   -0.0008180   -0.0002451
 C   -3.7593444   13.8636972    2.7844633  0.00    0.0017471    0.0004562    0.0004971
 C   -3.6674979   15.1554345    3.3173653  0.00   -0.0007203   -0.0007792   -0.0000446
 H   -4.5563539   15.7592637    3.4545499  0.00    0.0004290    0.0013035    0.0002709
 C   -2.4383378   15.6927765    3.6593902  0.00    0.0018877   -0.0023146   -0.0004598
 C    2.1584220   15.8242221    3.6754741  0.00   -0.0004871   -0.0004113   -0.0001490
 C    3.4177412   15.3650137    3.3309494  0.00   -0.0001707    0.0000308    0.0001413
 H    4.2696193   16.0171981    3.4808149  0.00   -0.0006646    0.0009816    0.0001682
 C    3.5870423   14.0835575    2.7919789  0.00   -0.0002839   -0.0000966    0.0000429
 C    2.4656111   13.2873974    2.6007666  0.00   -0.0001448   -0.0015311    0.0003432
 H    2.5871360   12.2970249    2.1859478  0.00    0.0010783   -0.0008566    0.0001804
 C   -0.0522579   12.8311656    2.7100539  0.00    0.0003198    0.0002502   -0.0002116
 C   -1.3263325   13.6386486    2.9225767  0.00   -0.0010382   -0.0013917   -0.0001610
 C   -1.3070628   14.9015967    3.4555520  0.00    0.0008426   -0.0004025    0.0006764
 C    1.0756400   14.9708511    3.4605163  0.00   -0.0006789   -0.0017005   -0.0001370
 C    1.1710182   13.7131781    2.9237257  0.00   -0.0008427   -0.0006537   -0.0001708
 C   -0.0173481   11.6720297    3.7199057  0.00   -0.0003199    0.0007651   -0.0004488
 H   -0.0283935   12.0427275    4.7467420  0.00   -0.0000096    0.0012874   -0.0009371
 H    0.8856847   11.0735409    3.5827241  0.00   -0.0000169    0.0009276   -0.0002462
 H   -0.8826866   11.0201367    3.5830452  0.00    0.0001468    0.0011893   -0.0004870
 C   -0.0350149   12.2658555    1.2837125  0.00   -0.0003426    0.0001506    0.0005940
 H   -0.8930755   11.6151363    1.1126354  0.00    0.0000962    0.0003859    0.0010182
 H    0.8606388   11.6678288    1.1131972  0.00    0.0002629    0.0001856    0.0008138
 H   -0.0589482   13.0670466    0.5428775  0.00    0.0000659   -0.0007046    0.0005762
 C   -5.1334587   13.3072654    2.4146355  0.00   -0.0000073   -0.0004532   -0.0000704
 C   -6.0290190   13.2875735    3.6586312  0.00   -0.0005652    0.0005971   -0.0001933
 H   -5.5939428   12.6686486    4.4469005  0.00    0.0002547    0.0003032    0.0000934
 H   -7.0100420   12.8770922    3.4072387  0.00   -0.0008051   -0.0002284    0.0006149
 H   -6.1867494   14.2894680    4.0631445  0.00   -0.0005322   -0.0002000    0.0002270
 C   -5.7710010   14.2028404    1.3455271  0.00    0.0001001    0.0005577    0.0005921
 H   -5.9029286   15.2280285    1.6982568  0.00   -0.0004769    0.0000475   -0.0009466
 H   -6.7568272   13.8177364    1.0733404  0.00   -0.0000877    0.0003529   -0.0007591
 H   -5.1576501   14.2320747    0.4416309  0.00   -0.0001138    0.0002731   -0.0001302
 C   -5.0561150   11.8865220    1.8621799  0.00   -0.0001180    0.0002987    0.0000976
 H   -4.4621133   11.8350878    0.9463538  0.00    0.0004107    0.0002301    0.0004776
 H   -6.0620701   11.5389226    1.6182411  0.00    0.0009762   -0.0013784   -0.0005727
 H   -4.6361462   11.1874420    2.5896487  0.00    0.0005796    0.0004085   -0.0001563
 C    4.9937492   13.6082878    2.4310252  0.00    0.0000090    0.0006428    0.0001802
 C    5.5970484   14.5536517    1.3853272  0.00    0.0002671    0.0000951    0.0002441
 H    6.6036084   14.2230249    1.1174618  0.00   -0.0004072    0.0000270   -0.0000132
 H    5.6755429   15.5773946    1.7575562  0.00    0.0009127    0.0001687   -0.0002504
 H    4.9927474   14.5691414    0.4749622  0.00    0.0001042   -0.0000710    0.0001325
 C    5.8717181   13.6165462    3.6880433  0.00    0.0005091    0.0001312   -0.0005190
 H    5.4627032   12.9574343    4.4574460  0.00   -0.0006641    0.0003315   -0.0001493
 H    5.9630838   14.6176930    4.1144846  0.00    0.0004658   -0.0000539    0.0001009
 H    6.8789388   13.2695183    3.4443203  0.00   -0.0003786    0.0001612    0.0001442
 C    5.0003579   12.1948272    1.8549174  0.00    0.0004260    0.0003954    0.0001837
 H    4.6135486   11.4612198    2.5665436  0.00   -0.0006356    0.0006368    0.0004342
 H    6.0261879   11.9073283    1.6154249  0.00   -0.0011881   -0.0009018   -0.0002620
 H    4.4179864   12.1261035    0.9327282  0.00   -0.0003447    0.0004540    0.0005383
 C   -3.1424501   17.9897152    4.2694308  0.00    0.0003054   -0.0022542    0.0009249
 C   -3.9182568   18.1630621    5.4403654  0.00    0.0000243    0.0005812   -0.0011012
 C   -4.8039979   19.2347139    5.4987597  0.00   -0.0005563   -0.0001108   -0.0002323
 H   -5.4084382   19.3731252    6.3873237  0.00   -0.0006540   -0.0004509   -0.0006105
 C   -4.9344428   20.1199230    4.4472286  0.00   -0.0007746   -0.0004495    0.0001815
 H   -5.6330142   20.9457025    4.5149354  0.00    0.0005381    0.0015360   -0.0002092
 C   -4.1729535   19.9499284    3.3052677  0.00   -0.0007196    0.0000233   -0.0001153
 H   -4.2886441   20.6496103    2.4874678  0.00    0.0001233   -0.0015795    0.0007396
 C   -3.2738597   18.8960623    3.1844042  0.00   -0.0005705   -0.0002047    0.0001207
 C   -2.5270343   18.7136611    1.8770153  0.00    0.0011321   -0.0000824    0.0010363
 H   -1.5892664   18.1786924    2.0873277  0.00   -0.0016666    0.0006643    0.0018008
 C   -3.3259255   17.8364688    0.9092570  0.00   -0.0006275    0.0012803    0.0008882
 H   -3.5248190   16.8477175    1.3213099  0.00   -0.0007483    0.0012382   -0.0003701
 H   -2.7794370   17.7118298   -0.0285690  0.00    0.0010073   -0.0001556    0.0004851
 H   -4.2837683   18.3107802    0.6793629  0.00    0.0009239   -0.0002824   -0.0002111
 C   -2.1760549   20.0320104    1.1953580  0.00   -0.0007771    0.0005174    0.0004384
 H   -3.0660885   20.5247652    0.7989069  0.00    0.0017129    0.0010424    0.0006209
 H   -1.5158181   19.8476216    0.3468363  0.00   -0.0002552    0.0009496    0.0002894
 H   -1.6795296   20.7343211    1.8690460  0.00    0.0002386   -0.0000097   -0.0004340
 C   -3.8631834   17.2054736    6.6100345  0.00   -0.0007580    0.0004085    0.0005145
 H   -2.9937242   16.5600034    6.4699510  0.00   -0.0006307   -0.0012516    0.0000368
 C   -5.1007720   16.3069692    6.6427135  0.00    0.0004952    0.0002204   -0.0010287
 H   -6.0115687   16.9013570    6.7519159  0.00   -0.0000316    0.0006702   -0.0008446
 H   -5.0475997   15.6205175    7.4911676  0.00    0.0010677    0.0002946   -0.0005862
 H   -5.1900135   15.7086831    5.7357897  0.00   -0.0000949    0.0011646    0.0003129
 C   -3.7181880   17.9292698    7.9480701  0.00    0.0002266   -0.0006669   -0.0010142
 H   -2.9024047   18.6566815    7.9434224  0.00   -0.0015188   -0.0001220    0.0006028
 H   -3.5255234   17.2093889    8.7469964  0.00   -0.0006286    0.0004407   -0.0008897
 H   -4.6305938   18.4667802    8.2156622  0.00    0.0000546   -0.0002959    0.0005723
 C    2.7069802   18.1643324    4.2771709  0.00   -0.0003865   -0.0005644   -0.0022879
 C    2.8037180   19.0231749    3.1526773  0.00   -0.0005641   -0.0027035    0.0011791
 C    3.6056244   20.1552095    3.2468901  0.00    0.0018107    0.0002935    0.0009865
 H    3.6955956   20.8175668    2.3944044  0.00   -0.0006082   -0.0014533    0.0002665
 C    4.3026988   20.4475460    4.4049114  0.00   -0.0000035    0.0001772   -0.0017015
 H    4.9236302   21.3344429    4.4552334  0.00   -0.0007277    0.0010588   -0.0002365
 C    4.2141899   19.6015929    5.4937605  0.00    0.0004066   -0.0010918   -0.0002635
 H    4.7765522   19.8313742    6.3909130  0.00    0.0002243    0.0003950   -0.0004027
 C    3.4314236   18.4516617    5.4586020  0.00    0.0010581    0.0001122    0.0011869
 C    3.4444076   17.5235134    6.6529398  0.00    0.0005568    0.0011550   -0.0009317
 H    2.6265743   16.8112210    6.5277840  0.00    0.0003761   -0.0011552    0.0002436
 C    4.7457432   16.7198060    6.6975619  0.00   -0.0005373    0.0003276   -0.0005079
 H    4.8774037   16.1150411    5.7997739  0.00   -0.0001524    0.0011857   -0.0003440
 H    4.7452206   16.0454525    7.5572853  0.00   -0.0009976    0.0001918   -0.0004175
 H    5.6099769   17.3821872    6.7934132  0.00   -0.0007306    0.0005714   -0.0009194
 C    3.2457915   18.2606767    7.9758296  0.00   -0.0000742   -0.0008210   -0.0007185
 H    4.1127581   18.8742850    8.2305295  0.00   -0.0004585   -0.0001247    0.0004143
 H    3.1122566   17.5439277    8.7894233  0.00    0.0008765    0.0004266   -0.0006054
 H    2.3739567   18.9199096    7.9596700  0.00    0.0007315    0.0005744    0.0004923
 C    2.1275875   18.7122394    1.8333726  0.00   -0.0000395    0.0001156    0.0005574
 H    1.3510773   17.9592021    2.0162458  0.00    0.0009158    0.0003544    0.0009166
 C    1.4663213   19.9343842    1.2047479  0.00    0.0001122    0.0003386    0.0003687
 H    0.7804620   20.4361880    1.8919315  0.00   -0.0001696    0.0000765   -0.0004335
 H    0.9036661   19.6401943    0.3169354  0.00   -0.0001478    0.0004696    0.0001593
 H    2.2048478   20.6712422    0.8832212  0.00   -0.0009764    0.0005291   -0.0002746
 C    3.1235101   18.0941983    0.8494976  0.00    0.0003111    0.0006977    0.0000326
 H    3.9326374   18.7972654    0.6352730  0.00   -0.0000580   -0.0005138   -0.0008937
 H    2.6271168   17.8552381   -0.0939678  0.00   -0.0007024   -0.0000708   -0.0000223
 H    3.5627207   17.1773447    1.2428390  0.00    0.0001731    0.0005937   -0.0006796
 C   -0.1920909   16.9780990    7.1158990  0.00   -0.0006547    0.0008157    0.0008679
 H    0.6610819   17.5273176    7.5515995  0.00   -0.0005349    0.0003136    0.0007315
 H   -1.0964560   17.4508552    7.5369178  0.00    0.0001811    0.0006410    0.0009140
 C    1.4403980   14.3503943    7.3154836  0.00    0.0008601   -0.0000101    0.0001021
 H    1.5493345   14.2890319    6.2294867  0.00   -0.0002672    0.0005300   -0.0003544
 H    1.4241409   13.3273984    7.7030784  0.00   -0.0002721   -0.0001046   -0.0002478
 H    2.3371031   14.8294822    7.7160475  0.00    0.0009344   -0.0003814    0.0000491
 C   -0.1353812   15.3456990    9.7230895  0.00    0.0001058    0.0000205   -0.0009203
 H    0.7241994   15.9080551   10.0975939  0.00   -0.0001068    0.0001452   -0.0000955
 H   -0.0985001   14.3480845   10.1701527  0.00    0.0000728    0.0014158    0.0005507
 H   -1.0390382   15.8395774   10.0903946  0.00    0.0002664    0.0002247    0.0000187
 C   -1.6091332   14.2293028    7.3046886  0.00   -0.0005596   -0.0003905    0.0001746
 H   -2.5430090   14.6337159    7.7028297  0.00   -0.0005959   -0.0002884   -0.0000141
 H   -1.5128445   13.2095673    7.6892492  0.00    0.0002381   -0.0003671   -0.0004413
 H   -1.7083417   14.1631506    6.2180134  0.00    0.0005831    0.0007517   -0.0004549
129
 Energy =   -2867.2897087240
 O   -0.1342078   15.5471134    3.8371899  0.00   -0.0003758   -0.0007028    0.0003063
Th   -0.2016656   17.7628986    4.8597917  0.00   -0.0009499   -0.0009799    0.0004968
Si   -0.1239323   15.2390461    7.8497050  0.00    0.0000162    0.0002399   -0.0004904
 N   -2.1722402   16.9506891    4.1887324  0.00    0.0007242   -0.0015969   -0.0002175
 N    1.8178037   17.0547290    4.2242896  0.00    0.0006553   -0.0002932    0.0003729
 C   -2.5922710   13.1347890    2.5989745  0.00    0.0003914   -0.0005272    0.0001842
 H   -2.6536701   12.1374264    2.1878253  0.00   -0.0006495   -0.0009928   -0.0002665
 C   -3.7593200   13.8637126    2.7845794  0.00    0.0003247   -0.0011447    0.0001164
 C   -3.6675117   15.1553882    3.3174487  0.00    0.0015175    0.0014397    0.0005235
 H   -4.5563199   15.7592983    3.4546238  0.00    0.0008325    0.0007498    0.0000681
 C   -2.4382908   15.6926511    3.6594660  0.00    0.0006646   -0.0000200    0.0006377
 C    2.1583715   15.8241514    3.6755077  0.00   -0.0014217   -0.0006053   -0.0007647
 C    3.4177140   15.3650283    3.3310320  0.00    0.0001754   -0.0017851    0.0002645
 H    4.2695597   16.0172580    3.4808524  0.00    0.0000780    0.0015958    0.0003696
 C    3.5870428   14.0835645    2.7921100  0.00   -0.0009167   -0.0006299   -0.0003759
 C    2.4656424   13.2873281    2.6009268  0.00    0.0000200   -0.0011796    0.0004228
 H    2.5872831   12.2969775    2.1860981  0.00    0.0009767   -0.0005824    0.0003860
 C   -0.0522522   12.8310510    2.7101821  0.00   -0.0003717    0.0005649    0.0002872
 C   -1.3263751   13.6385340    2.9227015  0.00    0.0019611   -0.0007383    0.0006060
 C   -1.3070337   14.9015239    3.4556451  0.00   -0.0009973   -0.0016074   -0.0003655
 C    1.0755970   14.9707444    3.4605694  0.00   -0.0006992   -0.0022031   -0.0005392
 C    1.1710105   13.7130445    2.9238362  0.00   -0.0001630   -0.0003400    0.0002841
 C   -0.0173629   11.6719162    3.7199636  0.00    0.0006332    0.0003791   -0.0002864
 H   -0.0283845   12.0425101    4.7468154  0.00   -0.0000342    0.0012171   -0.0008381
 H    0.8856823   11.0734121    3.5827003  0.00   -0.0005232    0.0012703   -0.0001157
 H   -0.8826672   11.0200334    3.5830253  0.00   -0.0002303    0.0009817   -0.0004742
 C   -0.0350290   12.2656605    1.2838994  0.00    0.0008848   -0.0002338    0.0009325
 H   -0.8930660   11.6149083    1.1129659  0.00   -0.0002073    0.0001642    0.0007422
 H    0.8606899   11.6676135    1.1135280  0.00   -0.0005116    0.0006120    0.0007274
 H   -0.0589314   13.0667737    0.5430236  0.00   -0.0000277   -0.0005890    0.0001425
 C   -5.1334965   13.3073859    2.4146727  0.00    0.0001971    0.0002515    0.0002135
 C   -6.0291431   13.2877831    3.6586217  0.00   -0.0004915    0.0000457    0.0000471
 H   -5.5941841   12.6687177    4.4468782  0.00   -0.0001614    0.0004900   -0.0001419
 H   -7.0102225   12.8774738    3.4071191  0.00   -0.0006377   -0.0000612    0.0006021
 H   -6.1867449   14.2896655    4.0631849  0.00   -0.0004139   -0.0001193    0.0002283
 C   -5.7709106   14.2031091    1.3455983  0.00    0.0000942   -0.0000979   -0.0001364
 H   -5.9026910   15.2282787    1.6983314  0.00   -0.0003062    0.0005152   -0.0007008
 H   -6.7568124   13.8181598    1.0734396  0.00   -0.0000739    0.0004561   -0.0006845
 H   -5.1576026   14.2322368    0.4416439  0.00   -0.0002819    0.0002996    0.0001305
 C   -5.0562559   11.8867055    1.8622119  0.00   -0.0001895   -0.0005388   -0.0004547
 H   -4.4622414   11.8351635    0.9463966  0.00    0.0005377    0.0004183    0.0004142
 H   -6.0622025   11.5391361    1.6182105  0.00    0.0007953   -0.0012651   -0.0005551
 H   -4.6363702   11.1875564    2.5896462  0.00    0.0006382    0.0002834    0.0001518
 C    4.9937615   13.6084129    2.4311345  0.00    0.0001910    0.0002930    0.0000204
 C    5.5969748   14.5538559    1.3854524  0.00   -0.0003353   -0.0002120    0.0000101
 H    6.6035502   14.2233461    1.1176343  0.00    0.0001975   -0.0000483   -0.0001391
 H    5.6753684   15.5775934    1.7577094  0.00    0.0007157    0.0004856   -0.0001765
 H    4.9926956   14.5692336    0.4750512  0.00    0.0002625    0.0000996    0.0002995
 C    5.8718038   13.6167136    3.6881018  0.00   -0.0002145    0.0000276   -0.0001577
 H    5.4628981   12.9574577    4.4574706  0.00   -0.0002296    0.0004938   -0.0003162
 H    5.9630172   14.6178496    4.1146278  0.00    0.0003244    0.0000313    0.0001424
 H    6.8790467   13.2699061    3.4442769  0.00    0.0000769    0.0001004    0.0000419
 C    5.0004670   12.1949733    1.8550126  0.00   -0.0002318   -0.0000480   -0.0001005
 H    4.6137073   11.4613192    2.5666415  0.00   -0.0004158    0.0008829    0.0002155
 H    6.0262780   11.9075250    1.6154637  0.00   -0.0008289   -0.0009081   -0.0002623
 H    4.4180781   12.1261952    0.9328129  0.00   -0.0001789    0.0005728    0.0009360
 C   -3.1424058   17.9896331    4.2695058  0.00   -0.0012406    0.0005317    0.0001743
 C   -3.9183371   18.1629986    5.4403054  0.00   -0.0001191   -0.0011945   -0.0000289
 C   -4.8040296   19.2347159    5.4987374  0.00   -0.0002939   -0.0004747   -0.0000418
 H   -5.4085106   19.3731034    6.3872757  0.00   -0.0007749   -0.0003999   -0.0005540
 C   -4.9343469   20.1200125    4.4472770  0.00   -0.0003177   -0.0002114    0.0001930
 H   -5.6328852   20.9458490    4.5149271  0.00    0.0005441    0.0015841   -0.0001269
 C   -4.1727332   19.9500223    3.3053940  0.00   -0.0001798   -0.0002910    0.0003368
 H   -4.2883115   20.6496833    2.4876355  0.00    0.0000539   -0.0005143   -0.0001936
 C   -3.2736685   18.8961254    3.1845433  0.00    0.0005578   -0.0017572    0.0017020
 C   -2.5267402   18.7137135    1.8772241  0.00   -0.0003069    0.0004877    0.0011699
 H   -1.5890794   18.1787049    2.0876567  0.00   -0.0009995    0.0003514    0.0016501
 C   -3.3257356   17.8365562    0.9095249  0.00    0.0007208    0.0002777    0.0003897
 H   -3.5245118   16.8477806    1.3215644  0.00   -0.0006563    0.0015041   -0.0003717
 H   -2.7792958   17.7118948   -0.0283698  0.00    0.0005578    0.0000486    0.0009258
 H   -4.2836107   18.3107633    0.6797552  0.00    0.0003901    0.0000721   -0.0003462
 C   -2.1756432   20.0320343    1.1955959  0.00    0.0006059    0.0000865    0.0003195
 H   -3.0654907   20.5249013    0.7990571  0.00    0.0005904    0.0014314    0.0000726
 H   -1.5152745   19.8476168    0.3471537  0.00   -0.0004398    0.0009470    0.0005953
 H   -1.6791275   20.7343303    1.8693152  0.00    0.0002453   -0.0000137   -0.0001835
 C   -3.8635494   17.2052273    6.6098908  0.00    0.0006955   -0.0001985   -0.0011979
 H   -2.9941572   16.5596371    6.4697748  0.00   -0.0016097   -0.0006096    0.0002706
 C   -5.1012178   16.3068659    6.6422187  0.00    0.0000241    0.0005149   -0.0007426
 H   -6.0120037   16.9013520    6.7513089  0.00    0.0004837    0.0002076   -0.0008975
 H   -5.0482263   15.6202662    7.4905727  0.00    0.0007454    0.0004601   -0.0007628
 H   -5.1902922   15.7087223    5.7352234  0.00   -0.0002046    0.0011608    0.0001387
 C   -3.7185502   17.9287172    7.9480536  0.00   -0.0003417   -0.0003471   -0.0004575
 H   -2.9026770   18.6560091    7.9436643  0.00   -0.0014315   -0.0000933    0.0006612
 H   -3.5260535   17.2086624    8.7468336  0.00   -0.0006806    0.0001533   -0.0008912
 H   -4.6309171   18.4662942    8.2157206  0.00    0.0003763   -0.0003638    0.0005451
 C    2.7068942   18.1642773    4.2770736  0.00   -0.0002108   -0.0028145   -0.0004517
 C    2.8034857   19.0231694    3.1526678  0.00    0.0002215    0.0004215   -0.0004829
 C    3.6053781   20.1552863    3.2468451  0.00    0.0004027   -0.0002791    0.0001485
 H    3.6952068   20.8176217    2.3943197  0.00   -0.0007292   -0.0015263    0.0003698
 C    4.3025360   20.4476379    4.4047502  0.00    0.0002103   -0.0001001   -0.0001662
 H    4.9234397   21.3345576    4.4550221  0.00   -0.0009999    0.0007804   -0.0001924
 C    4.2141858   19.6015882    5.4935861  0.00    0.0006677    0.0000547   -0.0003605
 H    4.7766416   19.8314206    6.3907028  0.00   -0.0002157    0.0000181   -0.0009678
 C    3.4314940   18.4516163    5.4584791  0.00    0.0017565    0.0010633    0.0003825
 C    3.4446740   17.5234158    6.6527001  0.00    0.0008815    0.0006450    0.0002006
 H    2.6269221   16.8110000    6.5275776  0.00    0.0001752   -0.0011225   -0.0000690
 C    4.7460812   16.7198436    6.6971462  0.00   -0.0005230    0.0006734   -0.0002875
 H    4.8775948   16.1150499    5.7993659  0.00   -0.0001069    0.0009206   -0.0007236
 H    4.7457303   16.0455244    7.5568934  0.00   -0.0007739    0.0001869   -0.0003000
 H    5.6102583   17.3823256    6.7928013  0.00   -0.0006872    0.0004956   -0.0010332
 C    3.2460552   18.2603994    7.9756932  0.00    0.0000807   -0.0002647   -0.0009936
 H    4.1130032   18.8740182    8.2304531  0.00   -0.0006400   -0.0001190    0.0003626
 H    3.1126120   17.5435614    8.7891770  0.00    0.0008158   -0.0000814   -0.0003162
 H    2.3741692   18.9196026    7.9596651  0.00    0.0008948    0.0003407    0.0005113
 C    2.1273771   18.7121686    1.8333911  0.00    0.0003149    0.0008557   -0.0001439
 H    1.3509350   17.9590718    2.0163455  0.00    0.0006111   -0.0000639    0.0009623
 C    1.4660111   19.9341996    1.2046126  0.00    0.0000492   -0.0003695   -0.0000320
 H    0.7800934   20.4360151    1.8917169  0.00   -0.0002717    0.0002882   -0.0001263
 H    0.9033368   19.6398148    0.3168448  0.00    0.0001159    0.0004377    0.0005413
 H    2.2044393   20.6710892    0.8829698  0.00   -0.0008130    0.0005993   -0.0004582
 C    3.1234605   18.0941409    0.8496540  0.00   -0.0003027    0.0006899   -0.0005592
 H    3.9326124   18.7971916    0.6354633  0.00   -0.0000772   -0.0003927   -0.0008241
 H    2.6271780   17.8550403   -0.0938519  0.00   -0.0005408    0.0000637    0.0000750
 H    3.5626363   17.1773299    1.2430901  0.00    0.0003934    0.0000478   -0.0001443
 C   -0.1920909   16.9781583    7.1158345  0.00   -0.0010288    0.0006766    0.0004527
 H    0.6610570   17.5275224    7.5513800  0.00   -0.0002550    0.0004420    0.0009120
 H   -1.0964864   17.4510326    7.5366511  0.00    0.0002978    0.0004645    0.0007550
 C    1.4404788   14.3505981    7.3154560  0.00    0.0002502   -0.0001573   -0.0001229
 H    1.5492808   14.2893448    6.2294261  0.00   -0.0002528    0.0005460   -0.0002083
 H    1.4242939   13.3275780    7.7029805  0.00   -0.0001135   -0.0001006   -0.0003401
 H    2.3371963   14.8297190    7.7159339  0.00    0.0010917   -0.0002180    0.0002135
 C   -0.1353629   15.3458221    9.7231110  0.00   -0.0000365    0.0006389   -0.0006117
 H    0.7241682   15.9082253   10.0976722  0.00   -0.0000194    0.0001420   -0.0003367
 H   -0.0984384   14.3482604   10.1702222  0.00    0.0001148    0.0009597    0.0006817
 H   -1.0390008   15.8396891   10.0904951  0.00    0.0002879    0.0001062   -0.0002854
 C   -1.6091270   14.2294544    7.3046310  0.00   -0.0004283   -0.0001734   -0.0006210
 H   -2.5430358   14.6338968    7.7026536  0.00   -0.0003242   -0.0003962   -0.0000442
 H   -1.5129008   13.2096897    7.6891140  0.00    0.0001137   -0.0003602   -0.0005142
 H   -1.7081519   14.1634387    6.2179100  0.00    0.0006529    0.0007094    0.0003597
129
 Energy =   -2867.2895954660
 O   -0.1338930   15.5442614    3.8387232  0.00   -0.0125643    0.0037405    0.0044895
Th   -0.2020117   17.7625700    4.8579623  0.00   -0.0007230    0.0087640    0.0012141
Si   -0.1230937   15.2436714    7.8512282  0.00    0.0018934    0.0028176    0.0040801
 N   -2.1717228   16.9482955    4.1910762  0.00    0.0025149   -0.0279324   -0.0038687
 N    1.8155419   17.0523273    4.2221090  0.00   -0.0018466    0.0151121    0.0113394
 C   -2.5926515   13.1321902    2.6042162  0.00   -0.0219704   -0.0036588   -0.0037668
 H   -2.6585827   12.1351742    2.1923336  0.00    0.0060111    0.0017736    0.0022978
 C   -3.7583932   13.8642121    2.7890890  0.00   -0.0367399   -0.0353512   -0.0176464
 C   -3.6678380   15.1538547    3.3207859  0.00    0.0361536    0.0271105    0.0153020
 H   -4.5550569   15.7603857    3.4574709  0.00    0.0035477   -0.0038284   -0.0018664
 C   -2.4366502   15.6883026    3.6625801  0.00   -0.0297972    0.0481511    0.0136653
 C    2.1563065   15.8216575    3.6768001  0.00    0.0012070   -0.0075593   -0.0045671
 C    3.4166076   15.3655449    3.3343184  0.00   -0.0050632   -0.0131221   -0.0048891
 H    4.2673468   16.0195734    3.4822565  0.00   -0.0018497    0.0015249    0.0012660
 C    3.5869015   14.0838278    2.7972681  0.00   -0.0059805   -0.0042847    0.0007866
 C    2.4666642   13.2848038    2.6072938  0.00    0.0102127    0.0033457   -0.0032712
 H    2.5925982   12.2953277    2.1921638  0.00   -0.0037620   -0.0053962    0.0008821
 C   -0.0520955   12.8267032    2.7154949  0.00   -0.0197443    0.0071683   -0.0008141
 C   -1.3276776   13.6342984    2.9277729  0.00    0.0422108    0.0082300    0.0031170
 C   -1.3061143   14.8988820    3.4592068  0.00   -0.0116436   -0.0304232   -0.0087896
 C    1.0739330   14.9668683    3.4626938  0.00    0.0294100    0.0016836    0.0014896
 C    1.1706748   13.7081161    2.9283885  0.00    0.0061457    0.0150833    0.0044371
 C   -0.0178349   11.6674068    3.7226098  0.00    0.0256794   -0.0188060    0.0010645
 H   -0.0280199   12.0338227    4.7501780  0.00   -0.0010867    0.0057049    0.0098784
 H    0.8854896   11.0683515    3.5821782  0.00   -0.0111096    0.0089543    0.0051899
 H   -0.8819222   11.0158728    3.5827088  0.00   -0.0119960   -0.0060184    0.0016781
 C   -0.0354300   12.2580512    1.2914681  0.00    0.0335057   -0.0151333    0.0104332
 H   -0.8926564   11.6059660    1.1259205  0.00   -0.0065348   -0.0049047   -0.0092973
 H    0.8625580   11.6592756    1.1265499  0.00   -0.0218653    0.0113071   -0.0044381
 H   -0.0582862   13.0561911    0.5488369  0.00   -0.0027991    0.0069262   -0.0135919
 C   -5.1347520   13.3121660    2.4160449  0.00    0.0061302    0.0284327    0.0088288
 C   -6.0339606   13.2960484    3.6579754  0.00    0.0062476   -0.0187810    0.0007020
 H   -5.6040708   12.6715208    4.4458594  0.00   -0.0088178    0.0085684   -0.0076675
 H   -7.0172773   12.8928902    3.4018430  0.00    0.0061143    0.0004390    0.0047861
 H   -6.1862685   14.2976341    4.0642835  0.00   -0.0004248    0.0035607    0.0019010
 C   -5.7671681   14.2136228    1.3483442  0.00    0.0008499   -0.0260448   -0.0193209
 H   -5.8928373   15.2381525    1.7016491  0.00    0.0008295    0.0163709    0.0046442
 H   -6.7561740   13.8350209    1.0776142  0.00    0.0025408    0.0002799   -0.0010080
 H   -5.1557084   14.2387571    0.4421506  0.00   -0.0043481    0.0020978    0.0112381
 C   -5.0613669   11.8937218    1.8632331  0.00   -0.0009027   -0.0264247   -0.0175034
 H   -4.4667035   11.8382253    0.9479923  0.00    0.0024928    0.0073921    0.0004443
 H   -6.0670137   11.5475056    1.6167918  0.00   -0.0050735    0.0011441    0.0009454
 H   -4.6447153   11.1920041    2.5894750  0.00    0.0027843   -0.0019786    0.0083083
 C    4.9940356   13.6131685    2.4353781  0.00    0.0091062   -0.0021840   -0.0047620
 C    5.5938312   14.5617852    1.3904331  0.00   -0.0174356   -0.0027550   -0.0033954
 H    6.6013206   14.2361080    1.1246143  0.00    0.0166254   -0.0061703   -0.0056872
 H    5.6680150   15.5853157    1.7640398  0.00   -0.0025697    0.0012566   -0.0046311
 H    4.9906334   14.5729934    0.4785905  0.00    0.0046555    0.0058930    0.0087602
 C    5.8750767   13.6233323    3.6902726  0.00   -0.0225969    0.0044411    0.0130588
 H    5.4710277   12.9584309    4.4584521  0.00    0.0087464    0.0080696   -0.0072885
 H    5.9601082   14.6241395    4.1199090  0.00   -0.0002415   -0.0067438   -0.0016725
 H    6.8834207   13.2854910    3.4422011  0.00    0.0109484   -0.0072614    0.0000826
 C    5.0041946   12.2004834    1.8586277  0.00   -0.0168051   -0.0108271   -0.0084876
 H    4.6194165   11.4651211    2.5703708  0.00    0.0036302    0.0063478   -0.0047504
 H    6.0293327   11.9149995    1.6168192  0.00    0.0107528   -0.0022356    0.0009542
 H    4.4210430   12.1297753    0.9362263  0.00    0.0029296    0.0035665    0.0106858
 C   -3.1408124   17.9869993    4.2723700  0.00   -0.0080733    0.0287391   -0.0266660
 C   -3.9217562   18.1604420    5.4381803  0.00   -0.0190387   -0.0120011    0.0434513
 C   -4.8049461   19.2351388    5.4981711  0.00    0.0080458   -0.0070002    0.0004638
 H   -5.4108496   19.3728983    6.3857637  0.00   -0.0018376   -0.0046980    0.0012593
 C   -4.9298241   20.1242979    4.4495961  0.00    0.0020953    0.0033616   -0.0046393
 H   -5.6267897   20.9526009    4.5153803  0.00    0.0087687   -0.0095199    0.0025136
 C   -4.1634356   19.9544983    3.3107186  0.00    0.0100337   -0.0234953    0.0145052
 H   -4.2743085   20.6539825    2.4947124  0.00   -0.0021594    0.0234052   -0.0258822
 C   -3.2658038   18.8989817    3.1902592  0.00   -0.0017517   -0.0023645    0.0158331
 C   -2.5149870   18.7160755    1.8856372  0.00   -0.0394912    0.0180241    0.0036198
 H   -1.5811115   18.1796703    2.1008320  0.00    0.0205062   -0.0130198   -0.0043301
 C   -3.3173008   17.8394366    0.9203474  0.00    0.0426245   -0.0204464   -0.0205831
 H   -3.5110615   16.8498694    1.3322827  0.00   -0.0029247   -0.0016824    0.0036748
 H   -2.7729345   17.7140150   -0.0200849  0.00   -0.0119451    0.0065734    0.0137830
 H   -4.2769087   18.3091370    0.6952807  0.00   -0.0136451    0.0150427   -0.0058441
 C   -2.1589835   20.0330665    1.2048321  0.00    0.0435273   -0.0065937    0.0008431
 H   -3.0418906   20.5301748    0.8043820  0.00   -0.0354194    0.0092452   -0.0121175
 H   -1.4933147   19.8472905    0.3598665  0.00   -0.0119037    0.0013108    0.0089565
 H   -1.6632927   20.7349186    1.8798669  0.00    0.0001369   -0.0039923    0.0026183
 C   -3.8783359   17.1950812    6.6037271  0.00    0.0253271   -0.0021636   -0.0233790
 H   -3.0117754   16.5448720    6.4622390  0.00   -0.0064849    0.0076907    0.0011465
 C   -5.1193964   16.3023405    6.6220153  0.00   -0.0136108    0.0137629    0.0184061
 H   -6.0297004   16.9005074    6.7266328  0.00    0.0150629   -0.0136547    0.0004964
 H   -5.0738346   15.6097599    7.4662740  0.00   -0.0047286    0.0058365   -0.0014752
 H   -5.2017289   15.7098485    5.7120765  0.00   -0.0063335   -0.0066867   -0.0145517
 C   -3.7332928   17.9059042    7.9474905  0.00   -0.0196063    0.0147033    0.0051207
 H   -2.9136072   18.6282315    7.9534977  0.00    0.0027471    0.0049520   -0.0029562
 H   -3.5473526   17.1784059    8.7400982  0.00    0.0007400   -0.0091244    0.0068398
 H   -4.6439532   18.4461033    8.2183683  0.00    0.0075333   -0.0032385   -0.0035891
 C    2.7034777   18.1624362    4.2733385  0.00    0.0208133    0.0082788    0.0363308
 C    2.7941157   19.0235575    3.1520352  0.00    0.0171744    0.0324412   -0.0053183
 C    3.5950007   20.1588818    3.2448898  0.00   -0.0329154   -0.0243567   -0.0327371
 H    3.6791888   20.8205889    2.3910672  0.00   -0.0003501   -0.0006502    0.0037902
 C    4.2953679   20.4518400    4.3986093  0.00    0.0060511   -0.0136447    0.0278788
 H    4.9148543   21.3398919    4.4469494  0.00   -0.0020583   -0.0001097    0.0033401
 C    4.2135816   19.6020690    5.4867297  0.00    0.0104559    0.0178239    0.0059037
 H    4.7794037   19.8339260    6.3824367  0.00   -0.0089387   -0.0086931   -0.0126944
 C    3.4342643   18.4501953    5.4534593  0.00   -0.0142096    0.0064519   -0.0371509
 C    3.4555542   17.5194063    6.6431020  0.00   -0.0170285   -0.0183230    0.0183811
 H    2.6409763   16.8021447    6.5188777  0.00    0.0043770    0.0092143   -0.0018074
 C    4.7598636   16.7212346    6.6801490  0.00    0.0000671    0.0003559    0.0023551
 H    4.8854651   16.1151338    5.7826803  0.00    0.0047597    0.0003435   -0.0026814
 H    4.7665983   16.0482323    7.5408214  0.00    0.0032966    0.0001550    0.0007479
 H    5.6218986   17.3875646    6.7679359  0.00    0.0009083   -0.0032510    0.0006273
 C    3.2567985   18.2488865    7.9702382  0.00   -0.0006223    0.0216349   -0.0102618
 H    4.1227618   18.8631689    8.2275062  0.00   -0.0024615    0.0010821   -0.0024237
 H    3.1272200   17.5279879    8.7792302  0.00   -0.0028884   -0.0125593    0.0125904
 H    2.3825610   18.9063633    7.9597676  0.00    0.0112809   -0.0072500   -0.0007632
 C    2.1188397   18.7093337    1.8339511  0.00    0.0054926    0.0037651   -0.0078035
 H    1.3449509   17.9539621    2.0203878  0.00    0.0045664    0.0029789   -0.0089403
 C    1.4535879   19.9264829    1.1987264  0.00   -0.0082719   -0.0155395   -0.0051528
 H    0.7655960   20.4291628    1.8827731  0.00    0.0012148    0.0015022    0.0030353
 H    0.8899124   19.6240461    0.3131296  0.00    0.0123826    0.0053852    0.0112720
 H    2.1881913   20.6644367    0.8720086  0.00    0.0051906    0.0021200   -0.0015620
 C    3.1210176   18.0911304    0.8558962  0.00   -0.0160209   -0.0078016   -0.0143055
 H    3.9314356   18.7931651    0.6430688  0.00   -0.0055555    0.0030153    0.0003887
 H    2.6292015   17.8465114   -0.0891320  0.00    0.0030728    0.0065858    0.0045617
 H    3.5584952   17.1758401    1.2534688  0.00    0.0049497   -0.0051340    0.0048725
 C   -0.1920963   16.9803493    7.1131679  0.00   -0.0017737    0.0043065   -0.0068242
 H    0.6600325   17.5356405    7.5427371  0.00    0.0037536   -0.0011950    0.0074928
 H   -1.0978271   17.4577383    7.5258302  0.00   -0.0028261   -0.0027157    0.0073402
 C    1.4436321   14.3587333    7.3146858  0.00   -0.0131358    0.0022243   -0.0091674
 H    1.5473366   14.3018008    6.2274526  0.00    0.0016519   -0.0037934    0.0068014
 H    1.4306369   13.3347284    7.6994359  0.00    0.0014071   -0.0007170   -0.0010744
 H    2.3408021   14.8393442    7.7118728  0.00    0.0003618    0.0004544    0.0042173
 C   -0.1346524   15.3512173    9.7244266  0.00   -0.0004822    0.0192593    0.0093221
 H    0.7229392   15.9156149   10.1008623  0.00    0.0037105   -0.0015452   -0.0073924
 H   -0.0959919   14.3557150   10.1737695  0.00    0.0003633   -0.0149055    0.0028727
 H   -1.0375713   15.8447118   10.0945276  0.00   -0.0031024   -0.0023514   -0.0078915
 C   -1.6087725   14.2355488    7.3025474  0.00    0.0122842    0.0046913   -0.0131484
 H   -2.5439265   14.6412094    7.6960052  0.00    0.0004617   -0.0012479    0.0029196
 H   -1.5152842   13.2145668    7.6839852  0.00   -0.0016227   -0.0014594   -0.0008816
 H   -1.7007053   14.1748827    6.2142257  0.00   -0.0025032   -0.0043690    0.0107636
129
 Energy =   -2867.2897111820
 O   -0.1341800   15.5466453    3.8374866  0.00   -0.0008090   -0.0001981    0.0004539
Th   -0.2016588   17.7627917    4.8597122  0.00   -0.0013204    0.0006154   -0.0002859
Si   -0.1238424   15.2395440    7.8497907  0.00    0.0000889    0.0003427    0.0005232
 N   -2.1721227   16.9503340    4.1890267  0.00    0.0006055   -0.0030000   -0.0002713
 N    1.8175569   17.0544059    4.2241184  0.00    0.0006642    0.0008894    0.0012171
 C   -2.5923142   13.1344219    2.5995517  0.00   -0.0019399   -0.0003049   -0.0000964
 H   -2.6542908   12.1371222    2.1883252  0.00    0.0001927   -0.0010528   -0.0001722
 C   -3.7592113   13.8637044    2.7850727  0.00   -0.0029512   -0.0022932   -0.0005892
 C   -3.6674768   15.1552536    3.3178759  0.00    0.0042473    0.0025198    0.0009286
 H   -4.5560647   15.7595580    3.4549534  0.00    0.0012469   -0.0001251   -0.0002405
 C   -2.4380561   15.6921396    3.6598534  0.00   -0.0018455    0.0033358    0.0019225
 C    2.1581099   15.8237721    3.6756781  0.00   -0.0008100   -0.0002256   -0.0005582
 C    3.4175470   15.3650463    3.3314089  0.00   -0.0000428   -0.0021718   -0.0002258
 H    4.2691869   16.0176134    3.4810530  0.00   -0.0001853    0.0011136    0.0002231
 C    3.5869878   14.0835852    2.7926921  0.00   -0.0005885   -0.0017058   -0.0005793
 C    2.4657702   13.2869477    2.6016296  0.00    0.0010620    0.0000042    0.0002671
 H    2.5879905   12.2966877    2.1867912  0.00    0.0002644   -0.0009290    0.0004746
 C   -0.0522833   12.8306020    2.7106621  0.00   -0.0003416    0.0005933    0.0009890
 C   -1.3264605   13.6379743    2.9232379  0.00    0.0039883    0.0005821    0.0011943
 C   -1.3068960   14.9010895    3.4561043  0.00   -0.0025514   -0.0032850   -0.0012885
 C    1.0754498   14.9701974    3.4608506  0.00    0.0009557   -0.0009065   -0.0001854
 C    1.1709719   13.7124599    2.9243002  0.00    0.0010110    0.0000133    0.0006905
 C   -0.0173638   11.6714938    3.7201852  0.00    0.0010733   -0.0003752    0.0006750
 H   -0.0283605   12.0419361    4.7470396  0.00   -0.0000547    0.0009548    0.0000647
 H    0.8856452   11.0730199    3.5826729  0.00   -0.0002701    0.0010388    0.0002111
 H   -0.8826294   11.0197209    3.5829821  0.00   -0.0010289    0.0001897   -0.0000746
 C   -0.0350093   12.2648855    1.2847068  0.00    0.0015120   -0.0006337    0.0003782
 H   -0.8930524   11.6140440    1.1143117  0.00   -0.0002001   -0.0001653   -0.0002403
 H    0.8608442   11.6668375    1.1148716  0.00   -0.0011573    0.0006385    0.0000711
 H   -0.0588702   13.0657326    0.5436183  0.00   -0.0001925   -0.0004789   -0.0008414
 C   -5.1336199   13.3079747    2.4148512  0.00   -0.0000478    0.0008325    0.0001272
 C   -6.0296726   13.2886346    3.6585752  0.00    0.0000386   -0.0007524    0.0000493
 H   -5.5951740   12.6690828    4.4467569  0.00   -0.0009051    0.0006724   -0.0003845
 H   -7.0109934   12.8790197    3.4066908  0.00    0.0001526    0.0000978    0.0006846
 H   -6.1867872   14.2904751    4.0633928  0.00   -0.0002133    0.0000220    0.0001887
 C   -5.7705188   14.2041894    1.3458535  0.00   -0.0002353   -0.0009018   -0.0012306
 H   -5.9017690   15.2293897    1.6985577  0.00    0.0001367    0.0010754   -0.0002939
 H   -6.7567190   13.8199066    1.0737747  0.00    0.0000097    0.0003165   -0.0005476
 H   -5.1574251   14.2329628    0.4417132  0.00   -0.0001508    0.0002750    0.0006374
 C   -5.0568343   11.8874235    1.8622908  0.00   -0.0000139   -0.0017746   -0.0009053
 H   -4.4627294   11.8355179    0.9466034  0.00    0.0011200    0.0010114   -0.0002562
 H   -6.0627170   11.5399979    1.6180434  0.00   -0.0002712   -0.0010369   -0.0004913
 H   -4.6372460   11.1880714    2.5896391  0.00    0.0007339   -0.0001553    0.0009786
 C    4.9938164   13.6089863    2.4315794  0.00    0.0001320   -0.0004926   -0.0002720
 C    5.5966069   14.5547231    1.3859684  0.00   -0.0003394   -0.0005129   -0.0002895
 H    6.6033053   14.2246328    1.1183151  0.00    0.0011259   -0.0003093   -0.0004566
 H    5.6747123   15.5784557    1.7582821  0.00    0.0000931    0.0005911   -0.0004623
 H    4.9924905   14.5696629    0.4754456  0.00    0.0001783    0.0006602    0.0005380
 C    5.8721023   13.6174468    3.6883519  0.00   -0.0011382    0.0000558    0.0002643
 H    5.4636477   12.9576357    4.4575199  0.00    0.0005382    0.0006072   -0.0003967
 H    5.9627824   14.6184757    4.1152355  0.00    0.0000472    0.0000932    0.0001950
 H    6.8794926   13.2714813    3.4441062  0.00    0.0005249   -0.0002849    0.0001540
 C    5.0008701   12.1956019    1.8553940  0.00   -0.0009177   -0.0005348   -0.0002750
 H    4.6143242   11.4618374    2.5670559  0.00   -0.0001102    0.0009715    0.0000168
 H    6.0266156   11.9083476    1.6156192  0.00    0.0003093   -0.0009898   -0.0001231
 H    4.4184387   12.1266199    0.9332358  0.00   -0.0005110    0.0007946    0.0009880
 C   -3.1422266   17.9892683    4.2697742  0.00   -0.0027326    0.0030058   -0.0001812
 C   -3.9187476   18.1626935    5.4401285  0.00   -0.0009038   -0.0024822    0.0010520
 C   -4.8042694   19.2346162    5.4985861  0.00    0.0002169   -0.0008354    0.0004217
 H   -5.4089599   19.3728460    6.3869691  0.00   -0.0011120   -0.0006678    0.0000562
 C   -4.9340487   20.1203489    4.4474500  0.00    0.0005350    0.0000793    0.0001090
 H   -5.6322067   20.9466154    4.5149334  0.00    0.0010235    0.0002342    0.0001500
 C   -4.1719077   19.9502911    3.3059554  0.00    0.0009236   -0.0007063    0.0006679
 H   -4.2869548   20.6499374    2.4883006  0.00    0.0000434    0.0014835   -0.0021221
 C   -3.2729150   18.8963361    3.1851856  0.00    0.0007022   -0.0017236    0.0029493
 C   -2.5256459   18.7140122    1.8781780  0.00   -0.0019479    0.0012180    0.0005313
 H   -1.5883497   18.1788031    2.0891688  0.00    0.0005622   -0.0005557    0.0007669
 C   -3.3248669   17.8368918    0.9106570  0.00    0.0024307   -0.0005585   -0.0009084
 H   -3.5233202   16.8480917    1.3226346  0.00   -0.0005758    0.0005566    0.0004248
 H   -2.7787606   17.7121547   -0.0274620  0.00    0.0001174    0.0006463    0.0010850
 H   -4.2829834   18.3107092    0.6814110  0.00   -0.0000955    0.0011273   -0.0008041
 C   -2.1739424   20.0321362    1.1965388  0.00    0.0013174    0.0001558    0.0007008
 H   -3.0632084   20.5254840    0.7996205  0.00   -0.0016148    0.0014535   -0.0006825
 H   -1.5132413   19.8475909    0.3484289  0.00   -0.0002611    0.0004461    0.0003464
 H   -1.6775791   20.7344599    1.8702630  0.00    0.0008646    0.0000097    0.0008779
 C   -3.8650638   17.2042391    6.6092227  0.00    0.0025069   -0.0013168   -0.0027004
 H   -2.9960421   16.5580427    6.4690383  0.00   -0.0020392    0.0005156    0.0002320
 C   -5.1031125   16.3065384    6.6401333  0.00   -0.0006563    0.0006900    0.0001089
 H   -6.0137491   16.9014102    6.7487385  0.00    0.0009301   -0.0006144   -0.0005574
 H   -5.0508399   15.6192515    7.4879920  0.00   -0.0001594    0.0008469   -0.0006420
 H   -5.1914908   15.7090202    5.7327751  0.00   -0.0008160    0.0006142   -0.0010887
 C   -3.7201678   17.9264042    7.9479322  0.00   -0.0014138    0.0005751    0.0009584
 H   -2.9039245   18.6531961    7.9447642  0.00   -0.0006228    0.0004896    0.0003472
 H   -3.5284197   17.2055379    8.7460687  0.00   -0.0005856   -0.0008550   -0.0002223
 H   -4.6323161   18.4642117    8.2159128  0.00    0.0002639   -0.0001477    0.0002544
 C    2.7066072   18.1639946    4.2767240  0.00    0.0008680   -0.0021066    0.0018444
 C    2.8026043   19.0231146    3.1526439  0.00    0.0012107    0.0033789   -0.0013973
 C    3.6044259   20.1554538    3.2466067  0.00   -0.0023275   -0.0014387   -0.0013043
 H    3.6935908   20.8177274    2.3940128  0.00   -0.0007126   -0.0008547   -0.0001052
 C    4.3019681   20.4479406    4.4040913  0.00    0.0005244   -0.0002179    0.0011647
 H    4.9225743   21.3351514    4.4541618  0.00   -0.0014546   -0.0002593    0.0000774
 C    4.2143358   19.6015124    5.4927959  0.00    0.0007029    0.0012501   -0.0001522
 H    4.7771117   19.8315343    6.3897126  0.00   -0.0005439   -0.0007951   -0.0012111
 C    3.4318231   18.4514293    5.4578668  0.00    0.0015752    0.0010327   -0.0010520
 C    3.4457864   17.5230223    6.6517244  0.00   -0.0003938   -0.0010606    0.0007527
 H    2.6284366   16.8100331    6.5267367  0.00    0.0002714   -0.0000897   -0.0003256
 C    4.7474937   16.7200657    6.6953575  0.00   -0.0003384    0.0006091    0.0002397
 H    4.8783934   16.1152673    5.7975489  0.00    0.0003883    0.0005002   -0.0011358
 H    4.7478783   16.0458055    7.5551561  0.00   -0.0000381    0.0003120   -0.0002971
 H    5.6113865   17.3830043    6.7902042  0.00   -0.0002757    0.0001455   -0.0008617
 C    3.2472173   18.2592552    7.9750530  0.00    0.0005089    0.0010373   -0.0001229
 H    4.1140635   18.8729115    8.2301043  0.00   -0.0005746    0.0001507   -0.0000480
 H    3.1142869   17.5419423    8.7881234  0.00    0.0003843   -0.0008082    0.0003233
 H    2.3751674   18.9183036    7.9597529  0.00    0.0010812   -0.0001345    0.0003209
 C    2.1265757   18.7118856    1.8334997  0.00    0.0011285    0.0015543   -0.0015797
 H    1.3504689   17.9585779    2.0168322  0.00    0.0003081   -0.0004818   -0.0000911
 C    1.4647918   19.9333999    1.2040127  0.00    0.0002568   -0.0012295   -0.0000174
 H    0.7786198   20.4353565    1.8906979  0.00   -0.0003213    0.0003939    0.0004639
 H    0.9021415   19.6382174    0.3164604  0.00    0.0007296    0.0003550    0.0008673
 H    2.2028339   20.6704517    0.8818731  0.00   -0.0004573    0.0003815   -0.0005035
 C    3.1232891   18.0938925    0.8502828  0.00   -0.0015728   -0.0003919   -0.0009677
 H    3.9325519   18.7968375    0.6362335  0.00   -0.0005281    0.0002597   -0.0007285
 H    2.6274922   17.8541902   -0.0933358  0.00   -0.0004483    0.0005294   -0.0000991
 H    3.5623836   17.1772784    1.2441524  0.00    0.0007114   -0.0004865    0.0004427
 C   -0.1921612   16.9784979    7.1156815  0.00   -0.0006341    0.0004578   -0.0000805
 H    0.6609104   17.5284757    7.5505710  0.00    0.0001414    0.0002260    0.0015071
 H   -1.0966252   17.4519292    7.5356765  0.00   -0.0002500    0.0000611    0.0013279
 C    1.4408391   14.3514299    7.3153200  0.00   -0.0008871    0.0002321   -0.0006279
 H    1.5491968   14.2905008    6.2291869  0.00   -0.0001784    0.0001812    0.0003705
 H    1.4248759   13.3283407    7.7026595  0.00    0.0001145   -0.0001272   -0.0005773
 H    2.3376784   14.8306135    7.7154791  0.00    0.0005305   -0.0002103    0.0004270
 C   -0.1352797   15.3463091    9.7231826  0.00   -0.0001521    0.0015367    0.0004565
 H    0.7240546   15.9088993   10.0978887  0.00    0.0005458    0.0002837   -0.0008376
 H   -0.0981783   14.3489486   10.1706103  0.00    0.0001497   -0.0000057    0.0004627
 H   -1.0388523   15.8401228   10.0908000  0.00   -0.0001659    0.0000304   -0.0008929
 C   -1.6090934   14.2300296    7.3043773  0.00    0.0005104    0.0005551   -0.0014030
 H   -2.5431811   14.6345604    7.7019561  0.00    0.0003326   -0.0006180   -0.0000256
 H   -1.5131124   13.2101635    7.6886199  0.00   -0.0000890   -0.0003890   -0.0007083
 H   -1.7074527   14.1644937    6.2175114  0.00    0.0004406    0.0002319    0.0012249
129
 Energy =   -2867.2897114700
 O   -0.1341593   15.5463847    3.8376842  0.00   -0.0009391    0.0001312    0.0006165
Th   -0.2016262   17.7628675    4.8596072  0.00   -0.0019508   -0.0000960   -0.0000619
Si   -0.1237790   15.2398730    7.8498895  0.00    0.0001218    0.0003154    0.0003373
 N   -2.1720697   16.9501516    4.1892062  0.00    0.0010985   -0.0038664   -0.0006503
 N    1.8173976   17.0542630    4.2240198  0.00    0.0012454    0.0021134    0.0017616
 C   -2.5923614   13.1342061    2.5998802  0.00   -0.0033308   -0.0000890   -0.0005327
 H   -2.6545627   12.1369246    2.1886268  0.00    0.0005186   -0.0010185   -0.0001341
 C   -3.7591921   13.8636840    2.7853322  0.00   -0.0036008   -0.0037744   -0.0011468
 C   -3.6674273   15.1551450    3.3181261  0.00    0.0049441    0.0035437    0.0011559
 H   -4.5559184   15.7596681    3.4551379  0.00    0.0016471   -0.0007631   -0.0003573
 C   -2.4379312   15.6918746    3.6600682  0.00   -0.0032650    0.0054737    0.0028237
 C    2.1579974   15.8236044    3.6758000  0.00   -0.0012977   -0.0002360   -0.0005595
 C    3.4174264   15.3650687    3.3315935  0.00    0.0002875   -0.0035340   -0.0005045
 H    4.2689350   16.0177630    3.4811483  0.00    0.0003095    0.0011967    0.0002438
 C    3.5869646   14.0835596    2.7930351  0.00   -0.0005152   -0.0016174   -0.0009771
 C    2.4658594   13.2867272    2.6020253  0.00    0.0004175    0.0003158   -0.0001717
 H    2.5883291   12.2964678    2.1872103  0.00   -0.0001213   -0.0007720    0.0005668
 C   -0.0522738   12.8303001    2.7109569  0.00   -0.0014510    0.0004910    0.0009349
 C   -1.3265198   13.6376452    2.9235347  0.00    0.0063855    0.0019635    0.0015765
 C   -1.3068257   14.9008136    3.4563752  0.00   -0.0035584   -0.0042322   -0.0018581
 C    1.0754039   14.9699149    3.4610398  0.00    0.0016588   -0.0004891    0.0000094
 C    1.1709425   13.7121347    2.9245747  0.00    0.0021825    0.0010015    0.0008528
 C   -0.0173780   11.6712011    3.7203893  0.00    0.0019296   -0.0006863    0.0006388
 H   -0.0283458   12.0416584    4.7472144  0.00   -0.0001029    0.0007828    0.0005608
 H    0.8856616   11.0727383    3.5827577  0.00   -0.0007371    0.0012186    0.0005663
 H   -0.8826364   11.0194786    3.5830657  0.00   -0.0012706   -0.0001056    0.0002011
 C   -0.0350125   12.2644233    1.2851201  0.00    0.0026678   -0.0009181    0.0008196
 H   -0.8930188   11.6135291    1.1149739  0.00   -0.0005990   -0.0004732   -0.0007642
 H    0.8609219   11.6663652    1.1155381  0.00   -0.0017035    0.0008440   -0.0002948
 H   -0.0588388   13.0651283    0.5439378  0.00   -0.0003011   -0.0000605   -0.0013844
 C   -5.1336778   13.3082907    2.4149216  0.00   -0.0004338    0.0014641    0.0003757
 C   -6.0299566   13.2891322    3.6585022  0.00    0.0001893   -0.0010680    0.0002992
 H   -5.5958020   12.6693138    4.4466761  0.00   -0.0008891    0.0007845   -0.0004421
 H   -7.0114137   12.8799486    3.4063971  0.00    0.0004196   -0.0001177    0.0008049
 H   -6.1867807   14.2909566    4.0634778  0.00   -0.0002697    0.0000132   -0.0000253
 C   -5.7702920   14.2048095    1.3459930  0.00   -0.0004944   -0.0013515   -0.0016928
 H   -5.9011803   15.2300408    1.6987077  0.00    0.0000688    0.0011656   -0.0001455
 H   -6.7566644   13.8209109    1.0739956  0.00    0.0000847    0.0000967   -0.0006144
 H   -5.1573210   14.2334019    0.4417609  0.00    0.0000231    0.0003145    0.0007631
 C   -5.0571206   11.8877976    1.8623159  0.00    0.0001481   -0.0024219   -0.0013594
 H   -4.4629143   11.8357615    0.9466966  0.00    0.0010520    0.0012305   -0.0002987
 H   -6.0630082   11.5404800    1.6179226  0.00   -0.0003401   -0.0009907   -0.0003548
 H   -4.6376802   11.1883633    2.5896587  0.00    0.0007278   -0.0002435    0.0011583
 C    4.9938270   13.6092780    2.4318196  0.00    0.0005284   -0.0004136   -0.0002829
 C    5.5964112   14.5552051    1.3862704  0.00   -0.0006996   -0.0007229   -0.0005233
 H    6.6031815   14.2253663    1.1187289  0.00    0.0016447   -0.0005885   -0.0007246
 H    5.6742788   15.5789369    1.7586135  0.00    0.0000798    0.0006426   -0.0005243
 H    4.9923798   14.5699513    0.4756804  0.00    0.0001585    0.0008968    0.0006781
 C    5.8722653   13.6178755    3.6884674  0.00   -0.0015791   -0.0000255    0.0006674
 H    5.4641374   12.9577549    4.4575527  0.00    0.0005960    0.0007374   -0.0003622
 H    5.9626110   14.6188423    4.1155625  0.00    0.0001299    0.0001393    0.0000286
 H    6.8797476   13.2724113    3.4439822  0.00    0.0007651   -0.0007310    0.0003034
 C    5.0010587   12.1959429    1.8556055  0.00   -0.0014350   -0.0009726   -0.0005765
 H    4.6146092   11.4621400    2.5672931  0.00    0.0000200    0.0009769   -0.0000633
 H    6.0267785   11.9087769    1.6156985  0.00    0.0006906   -0.0010711   -0.0000115
 H    4.4185475   12.1268757    0.9334878  0.00   -0.0004198    0.0009158    0.0011100
 C   -3.1421496   17.9890534    4.2699518  0.00   -0.0032525    0.0062354   -0.0016526
 C   -3.9189993   18.1625173    5.4400226  0.00   -0.0006780   -0.0037533    0.0030264
 C   -4.8043650   19.2345816    5.4985258  0.00    0.0006281   -0.0008334    0.0009176
 H   -5.4091656   19.3726874    6.3868466  0.00   -0.0011723   -0.0006116    0.0002367
 C   -4.9337760   20.1205684    4.4475929  0.00    0.0009359    0.0000380   -0.0004042
 H   -5.6316475   20.9470898    4.5150144  0.00    0.0007472   -0.0001788    0.0003314
 C   -4.1713475   19.9505082    3.3062885  0.00    0.0003204   -0.0004013    0.0008860
 H   -4.2860428   20.6501776    2.4886710  0.00   -0.0002631    0.0021886   -0.0027131
 C   -3.2724654   18.8965316    3.1855861  0.00    0.0011179   -0.0040922    0.0028100
 C   -2.5249608   18.7142351    1.8787326  0.00   -0.0030639    0.0010661    0.0008679
 H   -1.5878598   18.1788879    2.0900276  0.00    0.0012611   -0.0007386    0.0002300
 C   -3.3242651   17.8370866    0.9113230  0.00    0.0029088   -0.0017447   -0.0008705
 H   -3.5225045   16.8482389    1.3233650  0.00   -0.0005446    0.0009859    0.0002772
 H   -2.7783632   17.7123036   -0.0269056  0.00    0.0002028    0.0008597    0.0010160
 H   -4.2825337   18.3106611    0.6823581  0.00   -0.0002866    0.0016926   -0.0011607
 C   -2.1729319   20.0322582    1.1971087  0.00    0.0025798   -0.0000002    0.0002431
 H   -3.0618669   20.5258269    0.7999058  0.00   -0.0029095    0.0015099   -0.0008756
 H   -1.5119754   19.8475607    0.3491834  0.00   -0.0008939    0.0005865    0.0007771
 H   -1.6766285   20.7345755    1.8708639  0.00    0.0009703   -0.0000464    0.0010856
 C   -3.8659514   17.2036348    6.6088352  0.00    0.0034312   -0.0013527   -0.0035853
 H   -2.9971651   16.5570994    6.4685796  0.00   -0.0018429    0.0011032    0.0003108
 C   -5.1042437   16.3063337    6.6388784  0.00   -0.0006623    0.0002337    0.0002610
 H   -6.0148002   16.9013879    6.7472036  0.00    0.0009238   -0.0008330   -0.0002837
 H   -5.0524301   15.6186545    7.4864396  0.00   -0.0002885    0.0010164   -0.0003266
 H   -5.1921970   15.7091802    5.7312560  0.00   -0.0013022    0.0003860   -0.0010986
 C   -3.7211325   17.9250152    7.9479068  0.00   -0.0013555    0.0009803    0.0012640
 H   -2.9046374   18.6515178    7.9454401  0.00   -0.0006616    0.0006962   -0.0000659
 H   -3.5297974   17.2035771    8.7456100  0.00   -0.0003744   -0.0007674    0.0002675
 H   -4.6331517   18.4629299    8.2160718  0.00   -0.0000296   -0.0000131    0.0001204
 C    2.7064480   18.1639166    4.2765062  0.00    0.0007491   -0.0029415    0.0041730
 C    2.8020536   19.0230985    3.1526290  0.00    0.0025326    0.0051403   -0.0034133
 C    3.6037689   20.1555645    3.2464524  0.00   -0.0030469   -0.0018329   -0.0026165
 H    3.6925460   20.8178289    2.3938185  0.00   -0.0004819   -0.0006686   -0.0001993
 C    4.3015443   20.4481465    4.4036925  0.00    0.0009867   -0.0012108    0.0030198
 H    4.9219268   21.3355344    4.4537080  0.00   -0.0013490   -0.0005679    0.0001177
 C    4.2143540   19.6014949    5.4923399  0.00    0.0004570    0.0024108   -0.0003931
 H    4.7772904   19.8315890    6.3891589  0.00   -0.0007111   -0.0010325   -0.0012597
 C    3.4319795   18.4513175    5.4574914  0.00    0.0006619    0.0014841   -0.0019424
 C    3.4463975   17.5227723    6.6511192  0.00   -0.0001895   -0.0013244    0.0021019
 H    2.6293443   16.8094788    6.5262331  0.00   -0.0005434    0.0000185   -0.0005333
 C    4.7483272   16.7201958    6.6942862  0.00   -0.0004345    0.0007060    0.0001041
 H    4.8788463   16.1154044    5.7964430  0.00    0.0008781    0.0002969   -0.0012264
 H    4.7491899   16.0459828    7.5540968  0.00   -0.0000248    0.0001065   -0.0000661
 H    5.6120951   17.3833768    6.7886399  0.00   -0.0002581   -0.0001163   -0.0005487
 C    3.2478983   18.2585740    7.9747144  0.00    0.0005502    0.0013100   -0.0005384
 H    4.1146726   18.8722560    8.2299140  0.00   -0.0003396    0.0003089   -0.0002614
 H    3.1152537   17.5409285    8.7875022  0.00    0.0000881   -0.0009514    0.0008528
 H    2.3757422   18.9174917    7.9598292  0.00    0.0010971   -0.0001382    0.0000965
 C    2.1260961   18.7117370    1.8335304  0.00    0.0011824    0.0009746   -0.0015941
 H    1.3501806   17.9583140    2.0170692  0.00    0.0000009   -0.0005697   -0.0006382
 C    1.4640474   19.9329117    1.2036530  0.00    0.0003387   -0.0012606   -0.0001442
 H    0.7777510   20.4349995    1.8900887  0.00   -0.0002323    0.0002723    0.0008070
 H    0.9014085   19.6372342    0.3162411  0.00    0.0009898    0.0005983    0.0009729
 H    2.2018489   20.6700376    0.8811577  0.00   -0.0000492    0.0003662   -0.0003522
 C    3.1231037   18.0936691    0.8506643  0.00   -0.0015222   -0.0000022   -0.0015888
 H    3.9324529   18.7965857    0.6366831  0.00   -0.0010959    0.0001102   -0.0006463
 H    2.6276099   17.8536706   -0.0930302  0.00   -0.0006635    0.0007462   -0.0002114
 H    3.5621305   17.1771961    1.2448300  0.00    0.0009838   -0.0010023    0.0005203
 C   -0.1921818   16.9787248    7.1155447  0.00   -0.0010441    0.0010814   -0.0001641
 H    0.6608082   17.5290540    7.5501353  0.00    0.0004527   -0.0000203    0.0019428
 H   -1.0967268   17.4524529    7.5351327  0.00    0.0000076   -0.0005315    0.0015694
 C    1.4410205   14.3519496    7.3152572  0.00   -0.0012687    0.0000503   -0.0006275
 H    1.5491716   14.2911790    6.2290912  0.00   -0.0001096   -0.0000334    0.0004739
 H    1.4252312   13.3288016    7.7024871  0.00    0.0000287    0.0000668   -0.0006530
 H    2.3379321   14.8311374    7.7152537  0.00    0.0003013   -0.0001373    0.0006500
 C   -0.1352317   15.3466368    9.7232984  0.00   -0.0001140    0.0019849    0.0006792
 H    0.7240259   15.9093595   10.0979811  0.00    0.0006888    0.0002566   -0.0009139
 H   -0.0980262   14.3493801   10.1709264  0.00    0.0001048   -0.0002858    0.0001845
 H   -1.0388051   15.8404331   10.0909442  0.00   -0.0002658    0.0000285   -0.0010465
 C   -1.6090289   14.2304017    7.3042454  0.00    0.0006276    0.0006729   -0.0017529
 H   -2.5432407   14.6349431    7.7015774  0.00    0.0007401   -0.0006853    0.0001111
 H   -1.5132511   13.2104489    7.6883348  0.00    0.0000389   -0.0002058   -0.0007151
 H   -1.7070608   14.1651113    6.2173092  0.00    0.0002707   -0.0000352    0.0016461
