19
 Energy =      -0.101545704301
 C      0.743165     -0.709653     -0.105533    0.00   0.000020614  -0.000012106   0.000078708
 C      0.743211      0.709638     -0.105315    0.00   0.000020614   0.000012080   0.000078708
 C      1.946087      1.409008     -0.175123    0.00   0.000005340  -0.000018571  -0.000021575
 C      3.152882      0.697818     -0.242980    0.00  -0.000016795   0.000008387  -0.000127828
 C      3.152838     -0.697944     -0.243195    0.00  -0.000016795  -0.000008348  -0.000127818
 C      1.945998     -1.409077     -0.175556    0.00   0.000005338   0.000018578  -0.000021560
 C     -0.600478     -1.348886     -0.016192    0.00   0.000007071  -0.000010038   0.000166364
 C     -0.600392      1.348929     -0.015778    0.00   0.000007072   0.000009985   0.000166366
 H      1.951510      2.497417     -0.174983    0.00   0.000000384  -0.000001674  -0.000001885
 H      4.095018      1.242395     -0.294884    0.00  -0.000011906  -0.000003221  -0.000017440
 H      4.094939     -1.242564     -0.295266    0.00  -0.000011907   0.000003228  -0.000017438
 H      1.951352     -2.497486     -0.175750    0.00   0.000000383   0.000001674  -0.000001881
 H     -0.817103     -1.969674     -0.910480    0.00   0.000006059   0.000006342   0.000042669
 H     -0.816978      1.970005     -0.909876    0.00   0.000006057  -0.000006348   0.000042667
 S     -1.747442      0.000030      0.162886    0.00  -0.000051824   0.000000011   0.000025327
 O     -2.280764     -0.000159      1.507289    0.00  -0.000230013   0.000000020  -0.000164586
 O     -2.667444      0.000231     -0.953515    0.00   0.000253821   0.000000004  -0.000100682
 H     -0.657319     -2.064803      0.829962    0.00   0.000003243   0.000027242   0.000000943
 H     -0.657189      2.064590      0.830596    0.00   0.000003243  -0.000027244   0.000000942
19
 Energy =      -0.101507842355
 C      0.742450     -0.709672     -0.111565    0.00   0.000022734  -0.000011978   0.000092968
 C      0.742495      0.709659     -0.111347    0.00   0.000022735   0.000011949   0.000092973
 C      1.945756      1.409035     -0.173486    0.00   0.000007370  -0.000018720  -0.000025411
 C      3.152980      0.697811     -0.233224    0.00  -0.000014942   0.000008439  -0.000150974
 C      3.152936     -0.697939     -0.233438    0.00  -0.000014943  -0.000008390  -0.000150991
 C      1.945667     -1.409105     -0.173919    0.00   0.000007374   0.000018726  -0.000025409
 C     -0.601759     -1.348653     -0.028747    0.00   0.000010284  -0.000011162   0.000195514
 C     -0.601673      1.348700     -0.028333    0.00   0.000010286   0.000011102   0.000195522
 H      1.951202      2.497442     -0.173262    0.00   0.000000543  -0.000001685  -0.000002220
 H      4.095453      1.242386     -0.278630    0.00  -0.000011786  -0.000003229  -0.000020744
 H      4.095374     -1.242561     -0.279011    0.00  -0.000011784   0.000003236  -0.000020744
 H      1.951044     -2.497512     -0.174029    0.00   0.000000544   0.000001686  -0.000002222
 H     -0.818563     -1.960810     -0.928902    0.00   0.000006351   0.000004189   0.000046183
 H     -0.818439      1.961148     -0.928299    0.00   0.000006352  -0.000004210   0.000046180
 S     -1.747123      0.000030      0.162352    0.00  -0.000056212  -0.000000015   0.000029210
 O     -2.266060     -0.000161      1.512328    0.00  -0.000279212   0.000000047  -0.000176984
 O     -2.678963      0.000230     -0.944198    0.00   0.000286746   0.000000015  -0.000133043
 H     -0.659762     -2.072363      0.810618    0.00   0.000003782   0.000028657   0.000005103
 H     -0.659630      2.072155      0.811255    0.00   0.000003778  -0.000028657   0.000005088
19
 Energy =      -0.101463787062
 C      0.741712     -0.709695     -0.117604    0.00   0.000024968  -0.000011802   0.000107390
 C      0.741757      0.709684     -0.117386    0.00   0.000024968   0.000011766   0.000107393
 C      1.945347      1.409066     -0.171848    0.00   0.000009799  -0.000018890  -0.000029274
 C      3.152947      0.697802     -0.223454    0.00  -0.000012499   0.000008518  -0.000174405
 C      3.152902     -0.697934     -0.223669    0.00  -0.000012500  -0.000008465  -0.000174392
 C      1.945258     -1.409137     -0.172281    0.00   0.000009799   0.000018899  -0.000029267
 C     -0.603052     -1.348383     -0.041285    0.00   0.000013567  -0.000012437   0.000224809
 C     -0.602967      1.348434     -0.040871    0.00   0.000013568   0.000012365   0.000224808
 H      1.950820      2.497471     -0.171540    0.00   0.000000733  -0.000001698  -0.000002556
 H      4.095711      1.242377     -0.262351    0.00  -0.000011596  -0.000003237  -0.000024092
 H      4.095633     -1.242557     -0.262733    0.00  -0.000011598   0.000003245  -0.000024089
 H      1.950661     -2.497542     -0.172307    0.00   0.000000732   0.000001699  -0.000002553
 H     -0.820045     -1.951870     -0.947205    0.00   0.000006661   0.000002000   0.000049654
 H     -0.819921      1.952212     -0.946605    0.00   0.000006659  -0.000002009   0.000049653
 S     -1.746746      0.000031      0.161813    0.00  -0.000061386   0.000000007   0.000033253
 O     -2.251242     -0.000161      1.517207    0.00  -0.000329402   0.000000030  -0.000188582
 O     -2.690312      0.000229     -0.934762    0.00   0.000318877   0.000000012  -0.000166350
 H     -0.662226     -2.079797      0.791234    0.00   0.000004325   0.000030013   0.000009302
 H     -0.662094      2.079596      0.791873    0.00   0.000004325  -0.000030017   0.000009299
19
 Energy =      -0.101413482736
 C      0.740952     -0.709720     -0.123651    0.00   0.000027342  -0.000011628   0.000122015
 C      0.740997      0.709711     -0.123433    0.00   0.000027343   0.000011590   0.000122016
 C      1.944862      1.409102     -0.170211    0.00   0.000012579  -0.000019085  -0.000033153
 C      3.152782      0.697793     -0.213671    0.00  -0.000009428   0.000008595  -0.000198090
 C      3.152738     -0.697927     -0.213885    0.00  -0.000009428  -0.000008532  -0.000198111
 C      1.944772     -1.409173     -0.170644    0.00   0.000012582   0.000019095  -0.000033147
 C     -0.604359     -1.348077     -0.053804    0.00   0.000016943  -0.000013887   0.000254238
 C     -0.604273      1.348132     -0.053390    0.00   0.000016945   0.000013809   0.000254244
 H      1.950362      2.497504     -0.169817    0.00   0.000000950  -0.000001714  -0.000002898
 H      4.095794      1.242367     -0.246047    0.00  -0.000011347  -0.000003247  -0.000027474
 H      4.095715     -1.242552     -0.246428    0.00  -0.000011345   0.000003255  -0.000027477
 H      1.950204     -2.497575     -0.170583    0.00   0.000000951   0.000001715  -0.000002902
 H     -0.821551     -1.942854     -0.965387    0.00   0.000006973  -0.000000249   0.000053086
 H     -0.821428      1.943203     -0.964790    0.00   0.000006974   0.000000225   0.000053086
 S     -1.746310      0.000031      0.161271    0.00  -0.000067234  -0.000000015   0.000037288
 O     -2.236311     -0.000163      1.521925    0.00  -0.000380725   0.000000053  -0.000199149
 O     -2.701487      0.000228     -0.925208    0.00   0.000350161   0.000000023  -0.000200694
 H     -0.664710     -2.087104      0.771814    0.00   0.000004883   0.000031313   0.000013570
 H     -0.664577      2.086909      0.772456    0.00   0.000004880  -0.000031316   0.000013553
19
 Energy =      -0.101356866157
 C      0.740168     -0.709749     -0.129705    0.00   0.000029848  -0.000011429   0.000136860
 C      0.740213      0.709742     -0.129487    0.00   0.000029849   0.000011384   0.000136869
 C      1.944299      1.409142     -0.168574    0.00   0.000015746  -0.000019299  -0.000037052
 C      3.152486      0.697783     -0.203874    0.00  -0.000005730   0.000008672  -0.000222126
 C      3.152442     -0.697920     -0.204089    0.00  -0.000005731  -0.000008605  -0.000222109
 C      1.944210     -1.409213     -0.169007    0.00   0.000015745   0.000019310  -0.000037045
 C     -0.605677     -1.347736     -0.066302    0.00   0.000020406  -0.000015497   0.000283838
 C     -0.605591      1.347795     -0.065888    0.00   0.000020406   0.000015406   0.000283843
 H      1.949830      2.497541     -0.168092    0.00   0.000001199  -0.000001731  -0.000003254
 H      4.095701      1.242356     -0.229715    0.00  -0.000011027  -0.000003255  -0.000030910
 H      4.095622     -1.242546     -0.230097    0.00  -0.000011028   0.000003266  -0.000030904
 H      1.949672     -2.497613     -0.168860    0.00   0.000001198   0.000001732  -0.000003249
 H     -0.823081     -1.933771     -0.983442    0.00   0.000007298  -0.000002531   0.000056480
 H     -0.822959      1.934125     -0.982849    0.00   0.000007297   0.000002521   0.000056481
 S     -1.745815      0.000031      0.160724    0.00  -0.000073865   0.000000009   0.000041401
 O     -2.221271     -0.000164      1.526481    0.00  -0.000433163   0.000000034  -0.000208814
 O     -2.712487      0.000227     -0.915538    0.00   0.000380656   0.000000021  -0.000236063
 H     -0.667211     -2.094280      0.752366    0.00   0.000005449   0.000032551   0.000017879
 H     -0.667079      2.094092      0.753008    0.00   0.000005447  -0.000032558   0.000017876
19
 Energy =      -0.101293866752
 C      0.739363     -0.709781     -0.135770    0.00   0.000032491  -0.000011223   0.000151953
 C      0.739408      0.709776     -0.135552    0.00   0.000032491   0.000011176   0.000151949
 C      1.943660      1.409186     -0.166939    0.00   0.000019282  -0.000019539  -0.000040963
 C      3.152058      0.697772     -0.194063    0.00  -0.000001386   0.000008755  -0.000246471
 C      3.152014     -0.697912     -0.194277    0.00  -0.000001387  -0.000008679  -0.000246493
 C      1.943571     -1.409257     -0.167372    0.00   0.000019285   0.000019551  -0.000040957
 C     -0.607007     -1.347360     -0.078776    0.00   0.000023957  -0.000017254   0.000313627
 C     -0.606922      1.347423     -0.078362    0.00   0.000023958   0.000017159   0.000313632
 H      1.949224      2.497582     -0.166370    0.00   0.000001478  -0.000001750  -0.000003593
 H      4.095431      1.242345     -0.213356    0.00  -0.000010641  -0.000003269  -0.000034390
 H      4.095352     -1.242539     -0.213737    0.00  -0.000010639   0.000003279  -0.000034394
 H      1.949065     -2.497654     -0.167137    0.00   0.000001480   0.000001751  -0.000003598
 H     -0.824637     -1.924624     -1.001369    0.00   0.000007636  -0.000004874   0.000059837
 H     -0.824515      1.924984     -1.000777    0.00   0.000007637   0.000004846   0.000059839
 S     -1.745262      0.000031      0.160173    0.00  -0.000081262  -0.000000015   0.000045587
 O     -2.206124     -0.000165      1.530875    0.00  -0.000486772   0.000000059  -0.000217566
 O     -2.723311      0.000226     -0.905754    0.00   0.000410353   0.000000032  -0.000272491
 H     -0.669730     -2.101326      0.732893    0.00   0.000006021   0.000033733   0.000022256
 H     -0.669596      2.101143      0.733539    0.00   0.000006019  -0.000033739   0.000022239
19
 Energy =      -0.101224406718
 C      0.738535     -0.709816     -0.141845    0.00   0.000035268  -0.000010996   0.000167297
 C      0.738580      0.709813     -0.141627    0.00   0.000035268   0.000010940   0.000167309
 C      1.942944      1.409234     -0.165307    0.00   0.000023218  -0.000019802  -0.000044869
 C      3.151499      0.697760     -0.184238    0.00   0.000003612   0.000008847  -0.000271225
 C      3.151454     -0.697903     -0.184453    0.00   0.000003612  -0.000008765  -0.000271205
 C      1.942855     -1.409306     -0.165740    0.00   0.000023217   0.000019814  -0.000044864
 C     -0.608349     -1.346950     -0.091224    0.00   0.000027610  -0.000019188   0.000343614
 C     -0.608264      1.347017     -0.090811    0.00   0.000027611   0.000019078   0.000343621
 H      1.948542      2.497627     -0.164649    0.00   0.000001791  -0.000001771  -0.000003954
 H      4.094984      1.242332     -0.196967    0.00  -0.000010180  -0.000003280  -0.000037944
 H      4.094906     -1.242531     -0.197349    0.00  -0.000010182   0.000003294  -0.000037937
 H      1.948384     -2.497700     -0.165416    0.00   0.000001791   0.000001772  -0.000003948
 H     -0.826219     -1.915417     -1.019160    0.00   0.000007988  -0.000007244   0.000063157
 H     -0.826097      1.915782     -1.018572    0.00   0.000007987   0.000007233   0.000063159
 S     -1.744650      0.000031      0.159618    0.00  -0.000089396   0.000000004   0.000049852
 O     -2.190871     -0.000166      1.535107    0.00  -0.000541615   0.000000043  -0.000225336
 O     -2.733956      0.000224     -0.895856    0.00   0.000439198   0.000000032  -0.000310070
 H     -0.672263     -2.108237      0.713405    0.00   0.000006602   0.000034854   0.000026674
 H     -0.672129      2.108060      0.714052    0.00   0.000006600  -0.000034864   0.000026671
19
 Energy =      -0.101148400985
 C      0.737685     -0.709854     -0.147933    0.00   0.000038178  -0.000010737   0.000182971
 C      0.737730      0.709852     -0.147715    0.00   0.000038179   0.000010681   0.000182965
 C      1.942152      1.409286     -0.163679    0.00   0.000027558  -0.000020085  -0.000048808
 C      3.150807      0.697748     -0.174399    0.00   0.000009279   0.000008956  -0.000296340
 C      3.150763     -0.697894     -0.174613    0.00   0.000009278  -0.000008865  -0.000296368
 C      1.942062     -1.409359     -0.164112    0.00   0.000027561   0.000020099  -0.000048803
 C     -0.609703     -1.346507     -0.103645    0.00   0.000031354  -0.000021259   0.000373820
 C     -0.609617      1.346578     -0.103231    0.00   0.000031355   0.000021145   0.000373825
 H      1.947786      2.497675     -0.162930    0.00   0.000002135  -0.000001793  -0.000004302
 H      4.094360      1.242318     -0.180549    0.00  -0.000009651  -0.000003296  -0.000041539
 H      4.094281     -1.242523     -0.180930    0.00  -0.000009649   0.000003308  -0.000041546
 H      1.947627     -2.497749     -0.163697    0.00   0.000002136   0.000001794  -0.000004307
 H     -0.827827     -1.906156     -1.036815    0.00   0.000008353  -0.000009674   0.000066441
 H     -0.827706      1.906527     -1.036229    0.00   0.000008356   0.000009644   0.000066444
 S     -1.743980      0.000031      0.159059    0.00  -0.000098402  -0.000000012   0.000054258
 O     -2.175517     -0.000168      1.539176    0.00  -0.000597676   0.000000063  -0.000232271
 O     -2.744421      0.000223     -0.885848    0.00   0.000467280   0.000000039  -0.000348744
 H     -0.674809     -2.115013      0.693905    0.00   0.000007190   0.000035919   0.000031162
 H     -0.674675      2.114842      0.694556    0.00   0.000007187  -0.000035927   0.000031143
19
 Energy =      -0.101065757543
 C      0.736814     -0.709894     -0.154034    0.00   0.000041260  -0.000010519   0.000198947
 C      0.736859      0.709895     -0.153816    0.00   0.000041261   0.000010452   0.000198951
 C      1.941283      1.409342     -0.162055    0.00   0.000032251  -0.000020393  -0.000052737
 C      3.149984      0.697734     -0.164546    0.00   0.000015666   0.000009018  -0.000321934
 C      3.149939     -0.697884     -0.164760    0.00   0.000015667  -0.000008920  -0.000321914
 C      1.941194     -1.409415     -0.162488    0.00   0.000032249   0.000020407  -0.000052729
 C     -0.611067     -1.346031     -0.116035    0.00   0.000035186  -0.000023479   0.000404254
 C     -0.610982      1.346106     -0.115622    0.00   0.000035188   0.000023348   0.000404265
 H      1.946955      2.497727     -0.161214    0.00   0.000002514  -0.000001818  -0.000004663
 H      4.093558      1.242304     -0.164098    0.00  -0.000009045  -0.000003309  -0.000045220
 H      4.093480     -1.242513     -0.164480    0.00  -0.000009046   0.000003325  -0.000045212
 H      1.946797     -2.497801     -0.161982    0.00   0.000002513   0.000001819  -0.000004659
 H     -0.829464     -1.896846     -1.054327    0.00   0.000008739  -0.000012128   0.000069694
 H     -0.829344      1.897223     -1.053745    0.00   0.000008738   0.000012115   0.000069696
 S     -1.743250      0.000031      0.158496    0.00  -0.000108243  -0.000000001   0.000058736
 O     -2.160063     -0.000168      1.543082    0.00  -0.000655032   0.000000051  -0.000238285
 O     -2.754704      0.000222     -0.875730    0.00   0.000494565   0.000000044  -0.000388560
 H     -0.677367     -2.121652      0.674402    0.00   0.000007785   0.000036921   0.000035688
 H     -0.677233      2.121488      0.675054    0.00   0.000007783  -0.000036934   0.000035684
19
 Energy =      -0.100976377483
 C      0.735921     -0.709938     -0.160149    0.00   0.000044481  -0.000010269   0.000215282
 C      0.735966      0.709940     -0.159931    0.00   0.000044482   0.000010203   0.000215276
 C      1.940338      1.409402     -0.160437    0.00   0.000037354  -0.000020723  -0.000056673
 C      3.149028      0.697720     -0.154678    0.00   0.000022765   0.000009088  -0.000347939
 C      3.148983     -0.697873     -0.154892    0.00   0.000022764  -0.000008983  -0.000347958
 C      1.940249     -1.409476     -0.160870    0.00   0.000037358   0.000020739  -0.000056679
 C     -0.612443     -1.345523     -0.128393    0.00   0.000039133  -0.000025850   0.000434946
 C     -0.612358      1.345602     -0.127979    0.00   0.000039135   0.000025717   0.000434952
 H      1.946050      2.497783     -0.159503    0.00   0.000002926  -0.000001844  -0.000005011
 H      4.092578      1.242288     -0.147616    0.00  -0.000008362  -0.000003326  -0.000048958
 H      4.092499     -1.242503     -0.147997    0.00  -0.000008361   0.000003341  -0.000048963
 H      1.945892     -2.497858     -0.160270    0.00   0.000002926   0.000001845  -0.000005018
 H     -0.831130     -1.887492     -1.071695    0.00   0.000009139  -0.000014637   0.000072909
 H     -0.831010      1.887874     -1.071115    0.00   0.000009142   0.000014604   0.000072913
 S     -1.742462      0.000031      0.157931    0.00  -0.000118979  -0.000000008   0.000063260
 O     -2.144512     -0.000170      1.546826    0.00  -0.000713723   0.000000067  -0.000243333
 O     -2.764803      0.000221     -0.865505    0.00   0.000521056   0.000000047  -0.000429552
 H     -0.679935     -2.128154      0.654900    0.00   0.000008384   0.000037867   0.000040283
 H     -0.679800      2.127995      0.655555    0.00   0.000008380  -0.000037876   0.000040262
19
 Energy =      -0.100880155112
 C      0.735007     -0.709984     -0.166280    0.00   0.000047863  -0.000010038   0.000231984
 C      0.735052      0.709989     -0.166062    0.00   0.000047863   0.000009961   0.000231985
 C      1.939318      1.409466     -0.158826    0.00   0.000042853  -0.000021075  -0.000060624
 C      3.147939      0.697706     -0.144796    0.00   0.000030612   0.000009134  -0.000374459
 C      3.147895     -0.697861     -0.145010    0.00   0.000030612  -0.000009021  -0.000374454
 C      1.939229     -1.409540     -0.159259    0.00   0.000042853   0.000021090  -0.000060606
 C     -0.613830     -1.344985     -0.140716    0.00   0.000043173  -0.000028361   0.000465889
 C     -0.613744      1.345067     -0.140303    0.00   0.000043174   0.000028213   0.000465897
 H      1.945071      2.497843     -0.157796    0.00   0.000003372  -0.000001872  -0.000005374
 H      4.091419      1.242272     -0.131100    0.00  -0.000007599  -0.000003341  -0.000052784
 H      4.091340     -1.242491     -0.131481    0.00  -0.000007600   0.000003359  -0.000052779
 H      1.944913     -2.497918     -0.158564    0.00   0.000003372   0.000001874  -0.000005367
 H     -0.832825     -1.878099     -1.088914    0.00   0.000009564  -0.000017165   0.000076092
 H     -0.832706      1.878486     -1.088337    0.00   0.000009562   0.000017150   0.000076100
 S     -1.741615      0.000031      0.157362    0.00  -0.000130642  -0.000000006   0.000067881
 O     -2.128867     -0.000171      1.550406    0.00  -0.000773774   0.000000061  -0.000247483
 O     -2.774717      0.000219     -0.855173    0.00   0.000546767   0.000000054  -0.000471720
 H     -0.682512     -2.134516      0.635408    0.00   0.000008987   0.000038748   0.000044913
 H     -0.682376      2.134364      0.636063    0.00   0.000008988  -0.000038766   0.000044910
19
 Energy =      -0.100776978249
 C      0.734072     -0.710033     -0.172427    0.00   0.000051349  -0.000009723   0.000249088
 C      0.734117      0.710039     -0.172209    0.00   0.000051350   0.000009644   0.000249099
 C      1.938223      1.409534     -0.157222    0.00   0.000048859  -0.000021451  -0.000064555
 C      3.146718      0.697691     -0.134900    0.00   0.000039173   0.000009254  -0.000401469
 C      3.146674     -0.697849     -0.135114    0.00   0.000039172  -0.000009134  -0.000401474
 C      1.938133     -1.409609     -0.157654    0.00   0.000048861   0.000021468  -0.000064557
 C     -0.615227     -1.344415     -0.153003    0.00   0.000047322  -0.000031021   0.000497098
 C     -0.615141      1.344501     -0.152590    0.00   0.000047324   0.000030867   0.000497109
 H      1.944018      2.497906     -0.156096    0.00   0.000003855  -0.000001902  -0.000005726
 H      4.090080      1.242255     -0.114550    0.00  -0.000006754  -0.000003360  -0.000056683
 H      4.090001     -1.242479     -0.114931    0.00  -0.000006754   0.000003378  -0.000056684
 H      1.943859     -2.497982     -0.156863    0.00   0.000003855   0.000001903  -0.000005730
 H     -0.834551     -1.868672     -1.105982    0.00   0.000010004  -0.000019745   0.000079247
 H     -0.834433      1.869065     -1.105408    0.00   0.000010007   0.000019714   0.000079250
 S     -1.740709      0.000031      0.156790    0.00  -0.000143178  -0.000000007   0.000072617
 O     -2.113131     -0.000172      1.553823    0.00  -0.000835240   0.000000065  -0.000250658
 O     -2.784445      0.000218     -0.844738    0.00   0.000571598   0.000000062  -0.000515175
 H     -0.685095     -2.140738      0.615929    0.00   0.000009600   0.000039578   0.000049611
 H     -0.684959      2.140592      0.616587    0.00   0.000009596  -0.000039591   0.000049593
19
 Energy =      -0.100666728259
 C      0.733117     -0.710085     -0.178592    0.00   0.000054990  -0.000009413   0.000266623
 C      0.733162      0.710093     -0.178374    0.00   0.000054991   0.000009327   0.000266621
 C      1.937052      1.409606     -0.155626    0.00   0.000055287  -0.000021853  -0.000068484
 C      3.145364      0.697675     -0.124989    0.00   0.000048520   0.000009362  -0.000429024
 C      3.145320     -0.697836     -0.125203    0.00   0.000048520  -0.000009233  -0.000429030
 C      1.936963     -1.409681     -0.156059    0.00   0.000055288   0.000021870  -0.000068474
 C     -0.616634     -1.343817     -0.165251    0.00   0.000051581  -0.000033816   0.000528581
 C     -0.616549      1.343907     -0.164839    0.00   0.000051583   0.000033649   0.000528589
 H      1.942891      2.497973     -0.154402    0.00   0.000004374  -0.000001934  -0.000006087
 H      4.088561      1.242236     -0.097964    0.00  -0.000005824  -0.000003379  -0.000060670
 H      4.088482     -1.242466     -0.098345    0.00  -0.000005824   0.000003398  -0.000060669
 H      1.942732     -2.498049     -0.155169    0.00   0.000004374   0.000001935  -0.000006084
 H     -0.836309     -1.859216     -1.122896    0.00   0.000010469  -0.000022347   0.000082369
 H     -0.836192      1.859614     -1.122324    0.00   0.000010470   0.000022325   0.000082377
 S     -1.739745      0.000031      0.156216    0.00  -0.000156662  -0.000000007   0.000077432
 O     -2.097306     -0.000173      1.557077    0.00  -0.000898152   0.000000069  -0.000252847
 O     -2.793984      0.000217     -0.834201    0.00   0.000595585   0.000000065  -0.000559905
 H     -0.687684     -2.146820      0.596473    0.00   0.000010217   0.000040343   0.000054346
 H     -0.687548      2.146680      0.597132    0.00   0.000010215  -0.000040362   0.000054337
19
 Energy =       -0.10054928036
 C      0.732142     -0.710139     -0.184776    0.00   0.000058779  -0.000009099   0.000284597
 C      0.732187      0.710149     -0.184558    0.00   0.000058779   0.000009008   0.000284604
 C      1.935807      1.409682     -0.154039    0.00   0.000062150  -0.000022273  -0.000072393
 C      3.143877      0.697658     -0.115063    0.00   0.000058678   0.000009457  -0.000457138
 C      3.143832     -0.697822     -0.115278    0.00   0.000058678  -0.000009320  -0.000457139
 C      1.935718     -1.409757     -0.154472    0.00   0.000062152   0.000022291  -0.000072388
 C     -0.618051     -1.343190     -0.177459    0.00   0.000055952  -0.000036745   0.000560345
 C     -0.617966      1.343284     -0.177046    0.00   0.000055954   0.000036570   0.000560356
 H      1.941690      2.498043     -0.152715    0.00   0.000004929  -0.000001967  -0.000006445
 H      4.086861      1.242217     -0.081342    0.00  -0.000004805  -0.000003398  -0.000064746
 H      4.086782     -1.242451     -0.081723    0.00  -0.000004805   0.000003418  -0.000064744
 H      1.941531     -2.498120     -0.153482    0.00   0.000004929   0.000001969  -0.000006446
 H     -0.838100     -1.849737     -1.139652    0.00   0.000010956  -0.000024989   0.000085464
 H     -0.837983      1.850140     -1.139083    0.00   0.000010958   0.000024960   0.000085470
 S     -1.738721      0.000031      0.155638    0.00  -0.000171107  -0.000000008   0.000082320
 O     -2.081395     -0.000174      1.560168    0.00  -0.000962547   0.000000070  -0.000254036
 O     -2.803334      0.000215     -0.823563    0.00   0.000618690   0.000000074  -0.000605939
 H     -0.690277     -2.152760      0.577043    0.00   0.000010841   0.000041052   0.000059137
 H     -0.690141      2.152626      0.577705    0.00   0.000010837  -0.000041070   0.000059122
19
 Energy =      -0.100424503762
 C      0.731147     -0.710195     -0.190980    0.00   0.000062688  -0.000008722   0.000303052
 C      0.731192      0.710208     -0.190761    0.00   0.000062688   0.000008624   0.000303054
 C      1.934488      1.409761     -0.152462    0.00   0.000069523  -0.000022717  -0.000076285
 C      3.142256      0.697641     -0.105123    0.00   0.000069639   0.000009604  -0.000485836
 C      3.142212     -0.697808     -0.105338    0.00   0.000069638  -0.000009459  -0.000485841
 C      1.934398     -1.409837     -0.152895    0.00   0.000069524   0.000022736  -0.000076279
 C     -0.619478     -1.342536     -0.189623    0.00   0.000060447  -0.000039821   0.000592395
 C     -0.619393      1.342633     -0.189211    0.00   0.000060449   0.000039635   0.000592406
 H      1.940415      2.498117     -0.151036    0.00   0.000005524  -0.000002003  -0.000006806
 H      4.084980      1.242197     -0.064683    0.00  -0.000003694  -0.000003419  -0.000068912
 H      4.084901     -1.242436     -0.065064    0.00  -0.000003693   0.000003440  -0.000068912
 H      1.940257     -2.498194     -0.151803    0.00   0.000005524   0.000002005  -0.000006805
 H     -0.839924     -1.840239     -1.156248    0.00   0.000011468  -0.000027653   0.000088524
 H     -0.839807      1.840648     -1.155682    0.00   0.000011470   0.000027626   0.000088533
 S     -1.737639      0.000031      0.155059    0.00  -0.000186552  -0.000000007   0.000087294
 O     -2.065401     -0.000175      1.563096    0.00  -0.001028455   0.000000073  -0.000254186
 O     -2.812492      0.000214     -0.812827    0.00   0.000640882   0.000000079  -0.000653327
 H     -0.692873     -2.158559      0.557648    0.00   0.000011466   0.000041700   0.000063971
 H     -0.692736      2.158431      0.558312    0.00   0.000011464  -0.000041721   0.000063959
19
 Energy =      -0.100292261908
 C      0.730134     -0.710254     -0.197204    0.00   0.000066750  -0.000008354   0.000322000
 C      0.730179      0.710269     -0.196986    0.00   0.000066751   0.000008251   0.000322004
 C      1.933095      1.409844     -0.150897    0.00   0.000077340  -0.000023184  -0.000080153
 C      3.140502      0.697624     -0.095169    0.00   0.000081467   0.000009732  -0.000515140
 C      3.140457     -0.697794     -0.095383    0.00   0.000081466  -0.000009579  -0.000515143
 C      1.933005     -1.409920     -0.151330    0.00   0.000077341   0.000023204  -0.000080148
 C     -0.620914     -1.341855     -0.201743    0.00   0.000065056  -0.000043018   0.000624736
 C     -0.620829      1.341957     -0.201330    0.00   0.000065059   0.000042822   0.000624748
 H      1.939068      2.498194     -0.149367    0.00   0.000006159  -0.000002040  -0.000007165
 H      4.082916      1.242176     -0.047986    0.00  -0.000002487  -0.000003440  -0.000073177
 H      4.082837     -1.242420     -0.048367    0.00  -0.000002487   0.000003463  -0.000073176
 H      1.938909     -2.498271     -0.150134    0.00   0.000006159   0.000002042  -0.000007165
 H     -0.841783     -1.830729     -1.172681    0.00   0.000012006  -0.000030346   0.000091557
 H     -0.841667      1.831143     -1.172119    0.00   0.000012008   0.000030317   0.000091566
 S     -1.736497      0.000031      0.154477    0.00  -0.000203027  -0.000000008   0.000092343
 O     -2.049327     -0.000176      1.565861    0.00  -0.001095903   0.000000075  -0.000253306
 O     -2.821458      0.000213     -0.801995    0.00   0.000662149   0.000000087  -0.000702069
 H     -0.695470     -2.164216      0.538294    0.00   0.000012097   0.000042291   0.000068850
 H     -0.695332      2.164095      0.538959    0.00   0.000012094  -0.000042312   0.000068837
19
 Energy =      -0.100152412721
 C      0.729102     -0.710316     -0.203450    0.00   0.000070957  -0.000007978   0.000341469
 C      0.729147      0.710332     -0.203231    0.00   0.000070957   0.000007868   0.000341472
 C      1.931628      1.409930     -0.149343    0.00   0.000085631  -0.000023673  -0.000083995
 C      3.138613      0.697606     -0.085201    0.00   0.000094180   0.000009860  -0.000545069
 C      3.138569     -0.697779     -0.085415    0.00   0.000094180  -0.000009698  -0.000545074
 C      1.931539     -1.410007     -0.149776    0.00   0.000085632   0.000023693  -0.000083989
 C     -0.622359     -1.341149     -0.213816    0.00   0.000069784  -0.000046339   0.000657370
 C     -0.622274      1.341255     -0.213403    0.00   0.000069787   0.000046132   0.000657382
 H      1.937647      2.498275     -0.147708    0.00   0.000006833  -0.000002079  -0.000007524
 H      4.080668      1.242154     -0.031250    0.00  -0.000001181  -0.000003463  -0.000077541
 H      4.080589     -1.242403     -0.031632    0.00  -0.000001181   0.000003487  -0.000077541
 H      1.937489     -2.498352     -0.148475    0.00   0.000006833   0.000002081  -0.000007523
 H     -0.843677     -1.821211     -1.188950    0.00   0.000012573  -0.000033061   0.000094561
 H     -0.843561      1.821630     -1.188390    0.00   0.000012575   0.000033032   0.000094571
 S     -1.735297      0.000031      0.153894    0.00  -0.000220563  -0.000000007   0.000097468
 O     -2.033175     -0.000177      1.568463    0.00  -0.001164916   0.000000077  -0.000251370
 O     -2.830230      0.000211     -0.791068    0.00   0.000682458   0.000000093  -0.000752195
 H     -0.698066     -2.169732      0.518986    0.00   0.000012732   0.000042822   0.000073770
 H     -0.697928      2.169617      0.519653    0.00   0.000012729  -0.000042846   0.000073757
19
 Energy =      -0.100004808812
 C      0.728052     -0.710379     -0.209718    0.00   0.000075294  -0.000007567   0.000361477
 C      0.728097      0.710397     -0.209500    0.00   0.000075295   0.000007451   0.000361482
 C      1.930089      1.410020     -0.147802    0.00   0.000094425  -0.000024183  -0.000087799
 C      3.136591      0.697588     -0.075218    0.00   0.000107798   0.000010006  -0.000575650
 C      3.136547     -0.697764     -0.075432    0.00   0.000107797  -0.000009836  -0.000575654
 C      1.929999     -1.410097     -0.148235    0.00   0.000094427   0.000024204  -0.000087797
 C     -0.623813     -1.340419     -0.225839    0.00   0.000074638  -0.000049787   0.000690297
 C     -0.623728      1.340528     -0.225427    0.00   0.000074641   0.000049570   0.000690311
 H      1.936154      2.498358     -0.146060    0.00   0.000007549  -0.000002119  -0.000007879
 H      4.078237      1.242131     -0.014476    0.00   0.000000229  -0.000003486  -0.000082008
 H      4.078158     -1.242385     -0.014857    0.00   0.000000230   0.000003511  -0.000082007
 H      1.935995     -2.498436     -0.146827    0.00   0.000007549   0.000002121  -0.000007880
 H     -0.845607     -1.811691     -1.205052    0.00   0.000013167  -0.000035797   0.000097536
 H     -0.845492      1.812115     -1.204495    0.00   0.000013170   0.000035765   0.000097546
 S     -1.734037      0.000031      0.153308    0.00  -0.000239200  -0.000000008   0.000102666
 O     -2.016949     -0.000178      1.570904    0.00  -0.001235516   0.000000081  -0.000248350
 O     -2.838807      0.000210     -0.780050    0.00   0.000701769   0.000000098  -0.000803737
 H     -0.700661     -2.175106      0.499731    0.00   0.000013370   0.000043296   0.000078731
 H     -0.700523      2.174997      0.500400    0.00   0.000013366  -0.000043320   0.000078716
19
 Energy =     -0.0998492977636
 C      0.726984     -0.710445     -0.216010    0.00   0.000079794  -0.000007219   0.000382066
 C      0.727029      0.710465     -0.215791    0.00   0.000079794   0.000007096   0.000382067
 C      1.928477      1.410113     -0.146274    0.00   0.000103649  -0.000024715  -0.000091587
 C      3.134434      0.697570     -0.065220    0.00   0.000122396   0.000010089  -0.000606895
 C      3.134390     -0.697749     -0.065434    0.00   0.000122396  -0.000009911  -0.000606900
 C      1.928388     -1.410191     -0.146707    0.00   0.000103651   0.000024736  -0.000091579
 C     -0.625276     -1.339666     -0.237813    0.00   0.000079606  -0.000053322   0.000723518
 C     -0.625191      1.339779     -0.237401    0.00   0.000079610   0.000053095   0.000723532
 H      1.934588      2.498445     -0.144423    0.00   0.000008308  -0.000002162  -0.000008236
 H      4.075620      1.242107      0.002338    0.00   0.000001743  -0.000003511  -0.000086575
 H      4.075541     -1.242366      0.001957    0.00   0.000001744   0.000003537  -0.000086574
 H      1.934430     -2.498523     -0.145190    0.00   0.000008308   0.000002163  -0.000008235
 H     -0.847574     -1.802174     -1.220985    0.00   0.000013798  -0.000038554   0.000100483
 H     -0.847460      1.802603     -1.220431    0.00   0.000013800   0.000038522   0.000100495
 S     -1.732719      0.000031      0.152722    0.00  -0.000258912  -0.000000008   0.000107920
 O     -2.000652     -0.000178      1.573182    0.00  -0.001307732   0.000000079  -0.000244221
 O     -2.847187      0.000209     -0.768941    0.00   0.000720030   0.000000109  -0.000856713
 H     -0.703252     -2.180339      0.480536    0.00   0.000014009   0.000043712   0.000083723
 H     -0.703114      2.180236      0.481206    0.00   0.000014007  -0.000043738   0.000083709
19
 Energy =     -0.0996857223661
 C      0.725900     -0.710512     -0.222326    0.00   0.000084385  -0.000006754   0.000403220
 C      0.725945      0.710535     -0.222108    0.00   0.000084385   0.000006623   0.000403225
 C      1.926793      1.410210     -0.144760    0.00   0.000113482  -0.000025269  -0.000095300
 C      3.132142      0.697551     -0.055209    0.00   0.000137914   0.000010268  -0.000638828
 C      3.132098     -0.697733     -0.055423    0.00   0.000137914  -0.000010081  -0.000638833
 C      1.926704     -1.410288     -0.145193    0.00   0.000113484   0.000025290  -0.000095298
 C     -0.626747     -1.338891     -0.249733    0.00   0.000084711  -0.000057000   0.000757025
 C     -0.626662      1.339007     -0.249322    0.00   0.000084714   0.000056761   0.000757039
 H      1.932951      2.498535     -0.142799    0.00   0.000009109  -0.000002205  -0.000008588
 H      4.072818      1.242082      0.019193    0.00   0.000003371  -0.000003536  -0.000091258
 H      4.072739     -1.242346      0.018812    0.00   0.000003371   0.000003564  -0.000091257
 H      1.932792     -2.498613     -0.143566    0.00   0.000009109   0.000002207  -0.000008588
 H     -0.849580     -1.792665     -1.236747    0.00   0.000014454  -0.000041319   0.000103400
 H     -0.849466      1.793099     -1.236195    0.00   0.000014457   0.000041286   0.000103412
 S     -1.731342      0.000032      0.152134    0.00  -0.000279842  -0.000000008   0.000113257
 O     -1.984286     -0.000179      1.575300    0.00  -0.001381561   0.000000084  -0.000238980
 O     -2.855369      0.000207     -0.757744    0.00   0.000737238   0.000000114  -0.000911138
 H     -0.705840     -2.185432      0.461406    0.00   0.000014653   0.000044071   0.000088752
 H     -0.705701      2.185335      0.462078    0.00   0.000014649  -0.000044099   0.000088738
19
 Energy =     -0.0995139209515
 C      0.724800     -0.710582     -0.228667    0.00   0.000089149  -0.000006359   0.000424998
 C      0.724845      0.710606     -0.228449    0.00   0.000089150   0.000006223   0.000424998
 C      1.925039      1.410310     -0.143262    0.00   0.000123758  -0.000025842  -0.000098975
 C      3.129716      0.697533     -0.045184    0.00   0.000154482   0.000010376  -0.000671446
 C      3.129671     -0.697717     -0.045398    0.00   0.000154482  -0.000010180  -0.000671456
 C      1.924949     -1.410388     -0.143695    0.00   0.000123760   0.000025864  -0.000098971
 C     -0.628226     -1.338094     -0.261599    0.00   0.000089930  -0.000060745   0.000790816
 C     -0.628141      1.338215     -0.261188    0.00   0.000089934   0.000060496   0.000790832
 H      1.931242      2.498627     -0.141188    0.00   0.000009954  -0.000002251  -0.000008936
 H      4.069829      1.242056      0.036089    0.00   0.000005113  -0.000003562  -0.000096056
 H      4.069750     -1.242326      0.035708    0.00   0.000005114   0.000003591  -0.000096058
 H      1.931083     -2.498706     -0.141955    0.00   0.000009955   0.000002253  -0.000008938
 H     -0.851624     -1.783169     -1.252336    0.00   0.000015124  -0.000044105   0.000106288
 H     -0.851511      1.783608     -1.251788    0.00   0.000015127   0.000044070   0.000106301
 S     -1.729905      0.000032      0.151546    0.00  -0.000301932  -0.000000008   0.000118646
 O     -1.967855     -0.000180      1.577256    0.00  -0.001457029   0.000000087  -0.000232628
 O     -2.863353      0.000206     -0.746462    0.00   0.000753340   0.000000121  -0.000967013
 H     -0.708422     -2.190385      0.442348    0.00   0.000015297   0.000044374   0.000093806
 H     -0.708283      2.190294      0.443022    0.00   0.000015294  -0.000044403   0.000093791
19
 Energy =     -0.0993337275788
 C      0.723684     -0.710653     -0.235034    0.00   0.000094037  -0.000005956   0.000447383
 C      0.723729      0.710680     -0.234815    0.00   0.000094036   0.000005812   0.000447387
 C      1.923213      1.410412     -0.141780    0.00   0.000134547  -0.000026435  -0.000102593
 C      3.127154      0.697514     -0.035146    0.00   0.000172084   0.000010482  -0.000704781
 C      3.127110     -0.697701     -0.035360    0.00   0.000172083  -0.000010277  -0.000704783
 C      1.923124     -1.410491     -0.142212    0.00   0.000134549   0.000026458  -0.000102586
 C     -0.629712     -1.337278     -0.273409    0.00   0.000095270  -0.000064591   0.000824888
 C     -0.629628      1.337402     -0.272998    0.00   0.000095275   0.000064331   0.000824905
 H      1.929462      2.498723     -0.139591    0.00   0.000010846  -0.000002298  -0.000009285
 H      4.066651      1.242030      0.053026    0.00   0.000006976  -0.000003588  -0.000100975
 H      4.066572     -1.242304      0.052645    0.00   0.000006976   0.000003619  -0.000100973
 H      1.929303     -2.498802     -0.140358    0.00   0.000010847   0.000002301  -0.000009283
 H     -0.853708     -1.773691     -1.267751    0.00   0.000015855  -0.000046894   0.000109150
 H     -0.853595      1.774135     -1.267206    0.00   0.000015858   0.000046860   0.000109164
 S     -1.728409      0.000032      0.150957    0.00  -0.000325267  -0.000000009   0.000124064
 O     -1.951361     -0.000181      1.579053    0.00  -0.001534145   0.000000085  -0.000225073
 O     -2.871136      0.000204     -0.735095    0.00   0.000768287   0.000000133  -0.001024366
 H     -0.710997     -2.195199      0.423367    0.00   0.000015944   0.000044622   0.000098886
 H     -0.710858      2.195114      0.424042    0.00   0.000015941  -0.000044653   0.000098872
19
 Energy =     -0.0991449723677
 C      0.722553     -0.710726     -0.241427    0.00   0.000099023  -0.000005491   0.000470404
 C      0.722598      0.710755     -0.241209    0.00   0.000099023   0.000005339   0.000470406
 C      1.921318      1.410518     -0.140314    0.00   0.000145922  -0.000027050  -0.000106130
 C      3.124456      0.697495     -0.025094    0.00   0.000190729   0.000010639  -0.000738841
 C      3.124412     -0.697685     -0.025307    0.00   0.000190730  -0.000010424  -0.000738849
 C      1.921228     -1.410597     -0.140746    0.00   0.000145924   0.000027073  -0.000106128
 C     -0.631206     -1.336444     -0.285160    0.00   0.000100746  -0.000068540   0.000859233
 C     -0.631122      1.336572     -0.284749    0.00   0.000100750   0.000068268   0.000859250
 H      1.927611      2.498821     -0.138010    0.00   0.000011783  -0.000002347  -0.000009627
 H      4.063285      1.242002      0.070005    0.00   0.000008964  -0.000003615  -0.000106009
 H      4.063206     -1.242281      0.069624    0.00   0.000008964   0.000003648  -0.000106008
 H      1.927452     -2.498901     -0.138776    0.00   0.000011783   0.000002349  -0.000009627
 H     -0.855833     -1.764237     -1.282992    0.00   0.000016621  -0.000049687   0.000111980
 H     -0.855721      1.764686     -1.282449    0.00   0.000016624   0.000049651   0.000111994
 S     -1.726854      0.000032      0.150367    0.00  -0.000349911  -0.000000008   0.000129506
 O     -1.934808     -0.000182      1.580690    0.00  -0.001612908   0.000000089  -0.000216319
 O     -2.878719      0.000203     -0.723647    0.00   0.000782054   0.000000139  -0.001083198
 H     -0.713565     -2.199875      0.404470    0.00   0.000016591   0.000044815   0.000103989
 H     -0.713425      2.199796      0.405147    0.00   0.000016589  -0.000044847   0.000103975
19
 Energy =     -0.0989474818003
 C      0.721408     -0.710801     -0.247848    0.00   0.000104139  -0.000005041   0.000494082
 C      0.721453      0.710832     -0.247629    0.00   0.000104139   0.000004881   0.000494085
 C      1.919353      1.410627     -0.138865    0.00   0.000157815  -0.000027683  -0.000109599
 C      3.121623      0.697476     -0.015028    0.00   0.000210490   0.000010773  -0.000773635
 C      3.121579     -0.697669     -0.015242    0.00   0.000210491  -0.000010549  -0.000773645
 C      1.919263     -1.410706     -0.139298    0.00   0.000157818   0.000027707  -0.000109599
 C     -0.632707     -1.335592     -0.296852    0.00   0.000106337  -0.000072559   0.000893840
 C     -0.632622      1.335723     -0.296442    0.00   0.000106341   0.000072276   0.000893857
 H      1.925689      2.498923     -0.136444    0.00   0.000012766  -0.000002398  -0.000009965
 H      4.059729      1.241973      0.087025    0.00   0.000011081  -0.000003643  -0.000111166
 H      4.059650     -1.242257      0.086645    0.00   0.000011081   0.000003677  -0.000111166
 H      1.925531     -2.499003     -0.137211    0.00   0.000012767   0.000002400  -0.000009966
 H     -0.857999     -1.754811     -1.298055    0.00   0.000017428  -0.000052483   0.000114781
 H     -0.857887      1.755264     -1.297515    0.00   0.000017431   0.000052446   0.000114796
 S     -1.725241      0.000032      0.149778    0.00  -0.000375874  -0.000000008   0.000134988
 O     -1.918199     -0.000183      1.582168    0.00  -0.001693319   0.000000091  -0.000206384
 O     -2.886099      0.000201     -0.712120    0.00   0.000794594   0.000000147  -0.001143510
 H     -0.716123     -2.204415      0.385662    0.00   0.000017239   0.000044954   0.000109109
 H     -0.715983      2.204341      0.386340    0.00   0.000017236  -0.000044988   0.000109094
19
 Energy =      -0.098741078998
 C      0.720250     -0.710877     -0.254296    0.00   0.000109370  -0.000004587   0.000518436
 C      0.720295      0.710910     -0.254078    0.00   0.000109370   0.000004420   0.000518439
 C      1.917319      1.410738     -0.137435    0.00   0.000170253  -0.000028335  -0.000112987
 C      3.118654      0.697457     -0.004950    0.00   0.000231391   0.000010902  -0.000809174
 C      3.118609     -0.697653     -0.005164    0.00   0.000231392  -0.000010668  -0.000809185
 C      1.917230     -1.410818     -0.137867    0.00   0.000170256   0.000028358  -0.000112990
 C     -0.634215     -1.334724     -0.308483    0.00   0.000112052  -0.000076653   0.000928693
 C     -0.634130      1.334859     -0.308072    0.00   0.000112057   0.000076359   0.000928711
 H      1.923698      2.499026     -0.134895    0.00   0.000013797  -0.000002450  -0.000010297
 H      4.055982      1.241944      0.104088    0.00   0.000013332  -0.000003671  -0.000116447
 H      4.055903     -1.242233      0.103708    0.00   0.000013332   0.000003707  -0.000116447
 H      1.923540     -2.499107     -0.135661    0.00   0.000013797   0.000002452  -0.000010298
 H     -0.860207     -1.745417     -1.312941    0.00   0.000018275  -0.000055277   0.000117554
 H     -0.860096      1.745876     -1.312404    0.00   0.000018278   0.000055239   0.000117569
 S     -1.723568      0.000032      0.149189    0.00  -0.000403189  -0.000000008   0.000140505
 O     -1.901536     -0.000183      1.583488    0.00  -0.001775375   0.000000094  -0.000195231
 O     -2.893276      0.000200     -0.700516    0.00   0.000805840   0.000000155  -0.001205322
 H     -0.718671     -2.208819      0.366949    0.00   0.000017887   0.000045041   0.000114242
 H     -0.718531      2.208751      0.367628    0.00   0.000017884  -0.000045076   0.000114227
19
 Energy =     -0.0985255831416
 C      0.719079     -0.710955     -0.260772    0.00   0.000114705  -0.000004120   0.000543477
 C      0.719124      0.710990     -0.260554    0.00   0.000114704   0.000003945   0.000543480
 C      1.915218      1.410853     -0.136023    0.00   0.000183244  -0.000029003  -0.000116286
 C      3.115548      0.697438      0.005140    0.00   0.000253462   0.000011028  -0.000845467
 C      3.115504     -0.697637      0.004927    0.00   0.000253464  -0.000010784  -0.000845480
 C      1.915128     -1.410932     -0.136455    0.00   0.000183248   0.000029027  -0.000116290
 C     -0.635728     -1.333841     -0.320050    0.00   0.000117898  -0.000080818   0.000963782
 C     -0.635644      1.333979     -0.319640    0.00   0.000117903   0.000080512   0.000963800
 H      1.921638      2.499132     -0.133364    0.00   0.000014875  -0.000002502  -0.000010622
 H      4.052043      1.241913      0.121193    0.00   0.000015722  -0.000003701  -0.000121853
 H      4.051964     -1.242207      0.120813    0.00   0.000015722   0.000003738  -0.000121853
 H      1.921479     -2.499213     -0.134130    0.00   0.000014876   0.000002504  -0.000010623
 H     -0.862458     -1.736062     -1.327649    0.00   0.000019165  -0.000058064   0.000120297
 H     -0.862348      1.736525     -1.327115    0.00   0.000019169   0.000058025   0.000120314
 S     -1.721835      0.000032      0.148601    0.00  -0.000431879  -0.000000008   0.000146040
 O     -1.884824     -0.000184      1.584652    0.00  -0.001859073   0.000000096  -0.000182830
 O     -2.900249      0.000198     -0.688837    0.00   0.000815732   0.000000164  -0.001268639
 H     -0.721208     -2.213089      0.348336    0.00   0.000018534   0.000045078   0.000119383
 H     -0.721067      2.213027      0.349017    0.00   0.000018530  -0.000045115   0.000119369
19
 Energy =     -0.0983008123558
 C      0.717896     -0.711034     -0.267278    0.00   0.000120147  -0.000003671   0.000569216
 C      0.717941      0.711071     -0.267060    0.00   0.000120146   0.000003486   0.000569219
 C      1.913049      1.410969     -0.134630    0.00   0.000196798  -0.000029690  -0.000119482
 C      3.112306      0.697420      0.015243    0.00   0.000276743   0.000011151  -0.000882514
 C      3.112261     -0.697622      0.015029    0.00   0.000276744  -0.000010898  -0.000882528
 C      1.912959     -1.411049     -0.135063    0.00   0.000196802   0.000029713  -0.000119488
 C     -0.637248     -1.332944     -0.331553    0.00   0.000123832  -0.000084992   0.000999093
 C     -0.637163      1.333086     -0.331143    0.00   0.000123837   0.000084675   0.000999112
 H      1.919509      2.499241     -0.131851    0.00   0.000016000  -0.000002559  -0.000010941
 H      4.047910      1.241882      0.138339    0.00   0.000018255  -0.000003731  -0.000127389
 H      4.047831     -1.242181      0.137960    0.00   0.000018255   0.000003769  -0.000127389
 H      1.919350     -2.499322     -0.132616    0.00   0.000016001   0.000002562  -0.000010943
 H     -0.864752     -1.726748     -1.342178    0.00   0.000020099  -0.000060854   0.000123034
 H     -0.864643      1.727216     -1.341646    0.00   0.000020103   0.000060814   0.000123052
 S     -1.720044      0.000032      0.148013    0.00  -0.000461980  -0.000000008   0.000151601
 O     -1.868065     -0.000185      1.585659    0.00  -0.001944383   0.000000098  -0.000169227
 O     -2.907017      0.000197     -0.677086    0.00   0.000824244   0.000000173  -0.001333444
 H     -0.723733     -2.217227      0.329828    0.00   0.000019182   0.000045063   0.000124517
 H     -0.723592      2.217172      0.330511    0.00   0.000019178  -0.000045102   0.000124502
19
 Energy =     -0.0980665815294
 C      0.716701     -0.711114     -0.273813    0.00   0.000125680  -0.000003208   0.000595678
 C      0.716746      0.711153     -0.273594    0.00   0.000125679   0.000003014   0.000595683
 C      1.910813      1.411089     -0.133258    0.00   0.000210916  -0.000030392  -0.000122575
 C      3.108926      0.697401      0.025357    0.00   0.000301264   0.000011265  -0.000920329
 C      3.108882     -0.697606      0.025144    0.00   0.000301266  -0.000011002  -0.000920345
 C      1.910723     -1.411169     -0.133690    0.00   0.000210921   0.000030416  -0.000122584
 C     -0.638773     -1.332034     -0.342989    0.00   0.000129907  -0.000089260   0.001034608
 C     -0.638689      1.332180     -0.342579    0.00   0.000129912   0.000088931   0.001034627
 H      1.917312      2.499352     -0.130356    0.00   0.000017178  -0.000002615  -0.000011250
 H      4.043584      1.241849      0.155528    0.00   0.000020937  -0.000003761  -0.000133052
 H      4.043505     -1.242153      0.155149    0.00   0.000020937   0.000003801  -0.000133053
 H      1.917153     -2.499433     -0.131122    0.00   0.000017178   0.000002618  -0.000011252
 H     -0.867091     -1.717482     -1.356527    0.00   0.000021077  -0.000063621   0.000125714
 H     -0.866983      1.717955     -1.355998    0.00   0.000021081   0.000063580   0.000125731
 S     -1.718194      0.000032      0.147427    0.00  -0.000493540  -0.000000006   0.000157136
 O     -1.851263     -0.000186      1.586511    0.00  -0.002031320   0.000000101  -0.000154278
 O     -2.913579      0.000195     -0.665265    0.00   0.000831280   0.000000182  -0.001399767
 H     -0.726244     -2.221235      0.311431    0.00   0.000019826   0.000044999   0.000129663
 H     -0.726102      2.221185      0.312115    0.00   0.000019822  -0.000045040   0.000129648
19
 Energy =     -0.0978227033345
 C      0.715497     -0.711196     -0.280377    0.00   0.000131298  -0.000002739   0.000622872
 C      0.715542      0.711237     -0.280159    0.00   0.000131296   0.000002537   0.000622876
 C      1.908512      1.411210     -0.131907    0.00   0.000225610  -0.000031111  -0.000125550
 C      3.105410      0.697383      0.035483    0.00   0.000327060   0.000011378  -0.000958913
 C      3.105365     -0.697591      0.035270    0.00   0.000327063  -0.000011105  -0.000958931
 C      1.908422     -1.411291     -0.132339    0.00   0.000225615   0.000031133  -0.000125562
 C     -0.640304     -1.331112     -0.354358    0.00   0.000136098  -0.000093571   0.001070311
 C     -0.640219      1.331262     -0.353948    0.00   0.000136103   0.000093230   0.001070328
 H      1.915048      2.499465     -0.128882    0.00   0.000018405  -0.000002673  -0.000011550
 H      4.039062      1.241816      0.172759    0.00   0.000023773  -0.000003792  -0.000138847
 H      4.038983     -1.242125      0.172380    0.00   0.000023773   0.000003833  -0.000138848
 H      1.914889     -2.499547     -0.129647    0.00   0.000018406   0.000002675  -0.000011552
 H     -0.869475     -1.708266     -1.370696    0.00   0.000022101  -0.000066372   0.000128360
 H     -0.869367      1.708744     -1.370170    0.00   0.000022106   0.000066330   0.000128378
 S     -1.716284      0.000032      0.146843    0.00  -0.000526590  -0.000000007   0.000162647
 O     -1.834420     -0.000186      1.587210    0.00  -0.002119847   0.000000103  -0.000138031
 O     -2.919935      0.000193     -0.653377    0.00   0.000836801   0.000000191  -0.001467582
 H     -0.728741     -2.225114      0.293150    0.00   0.000020467   0.000044887   0.000134804
 H     -0.728599      2.225070      0.293836    0.00   0.000020464  -0.000044929   0.000134789
19
 Energy =      -0.097568988589
 C      0.714282     -0.711278     -0.286972    0.00   0.000136994  -0.000002275   0.000650806
 C      0.714328      0.711321     -0.286754    0.00   0.000136992   0.000002063   0.000650813
 C      1.906145      1.411334     -0.130577    0.00   0.000240877  -0.000031842  -0.000128396
 C      3.101756      0.697365      0.045620    0.00   0.000354169   0.000011479  -0.000998268
 C      3.101712     -0.697576      0.045407    0.00   0.000354173  -0.000011196  -0.000998288
 C      1.906056     -1.411415     -0.131009    0.00   0.000240883   0.000031865  -0.000128412
 C     -0.641839     -1.330181     -0.365657    0.00   0.000142401  -0.000097913   0.001106180
 C     -0.641755      1.330334     -0.365247    0.00   0.000142406   0.000097560   0.001106196
 H      1.912716      2.499580     -0.127429    0.00   0.000019683  -0.000002731  -0.000011837
 H      4.034343      1.241781      0.190032    0.00   0.000026768  -0.000003823  -0.000144772
 H      4.034264     -1.242096      0.189653    0.00   0.000026768   0.000003866  -0.000144774
 H      1.912557     -2.499662     -0.128194    0.00   0.000019684   0.000002733  -0.000011840
 H     -0.871904     -1.699107     -1.384684    0.00   0.000023174  -0.000069103   0.000130973
 H     -0.871797      1.699589     -1.384161    0.00   0.000023179   0.000069060   0.000130992
 S     -1.714316      0.000032      0.146261    0.00  -0.000561170  -0.000000006   0.000168120
 O     -1.817540     -0.000187      1.587756    0.00  -0.002209937   0.000000106  -0.000120470
 O     -2.926083      0.000192     -0.641423    0.00   0.000840751   0.000000200  -0.001536877
 H     -0.731223     -2.228866      0.274990    0.00   0.000021105   0.000044728   0.000139935
 H     -0.731081      2.228828      0.275677    0.00   0.000021102  -0.000044771   0.000139919
19
 Energy =     -0.0973052465233
 C      0.713060     -0.711361     -0.293598    0.00   0.000142758  -0.000001809   0.000679498
 C      0.713105      0.711406     -0.293379    0.00   0.000142756   0.000001587   0.000679504
 C      1.903715      1.411460     -0.129270    0.00   0.000256726  -0.000032588  -0.000131099
 C      3.097964      0.697348      0.055767    0.00   0.000382624   0.000011577  -0.001038395
 C      3.097920     -0.697561      0.055554    0.00   0.000382629  -0.000011284  -0.001038419
 C      1.903625     -1.411541     -0.129701    0.00   0.000256733   0.000032610  -0.000131120
 C     -0.643379     -1.329240     -0.376886    0.00   0.000148814  -0.000102282   0.001142195
 C     -0.643295      1.329396     -0.376476    0.00   0.000148819   0.000101916   0.001142212
 H      1.910319      2.499698     -0.125998    0.00   0.000021011  -0.000002791  -0.000012112
 H      4.029426      1.241746      0.207347    0.00   0.000029927  -0.000003855  -0.000150832
 H      4.029347     -1.242065      0.206968    0.00   0.000029927   0.000003899  -0.000150834
 H      1.910160     -2.499780     -0.126762    0.00   0.000021012   0.000002793  -0.000012116
 H     -0.874379     -1.690006     -1.398492    0.00   0.000024296  -0.000071811   0.000133551
 H     -0.874273      1.690493     -1.397971    0.00   0.000024301   0.000071766   0.000133570
 S     -1.712288      0.000032      0.145681    0.00  -0.000597315  -0.000000005   0.000173536
 O     -1.800626     -0.000188      1.588151    0.00  -0.002301561   0.000000110  -0.000101586
 O     -2.932023      0.000190     -0.629406    0.00   0.000843068   0.000000209  -0.001607640
 H     -0.733688     -2.232494      0.256956    0.00   0.000021739   0.000044524   0.000145051
 H     -0.733546      2.232461      0.257644    0.00   0.000021735  -0.000044569   0.000145035
19
 Energy =     -0.0970312850719
 C      0.711829     -0.711445     -0.300254    0.00   0.000148569  -0.000001325   0.000708961
 C      0.711874      0.711493     -0.300036    0.00   0.000148566   0.000001094   0.000708968
 C      1.901221      1.411588     -0.127985    0.00   0.000273188  -0.000033352  -0.000133641
 C      3.094035      0.697331      0.065924    0.00   0.000412447   0.000011694  -0.001079298
 C      3.093990     -0.697547      0.065711    0.00   0.000412452  -0.000011390  -0.001079325
 C      1.901131     -1.411669     -0.128416    0.00   0.000273197   0.000033373  -0.000133667
 C     -0.644923     -1.328290     -0.388043    0.00   0.000155329  -0.000106663   0.001178332
 C     -0.644839      1.328451     -0.387633    0.00   0.000155334   0.000106284   0.001178347
 H      1.907856      2.499817     -0.124589    0.00   0.000022393  -0.000002850  -0.000012373
 H      4.024311      1.241710      0.224703    0.00   0.000033249  -0.000003888  -0.000157029
 H      4.024231     -1.242034      0.224324    0.00   0.000033250   0.000003935  -0.000157031
 H      1.907697     -2.499899     -0.125353    0.00   0.000022394   0.000002853  -0.000012377
 H     -0.876901     -1.680969     -1.412120    0.00   0.000025467  -0.000074491   0.000136093
 H     -0.876795      1.681461     -1.411601    0.00   0.000025473   0.000074445   0.000136113
 S     -1.710202      0.000032      0.145104    0.00  -0.000635025  -0.000000004   0.000178884
 O     -1.783682     -0.000189      1.588397    0.00  -0.002394685   0.000000113  -0.000081375
 O     -2.937755      0.000189     -0.617329    0.00   0.000843670   0.000000219  -0.001679860
 H     -0.736137     -2.235999      0.239051    0.00   0.000022367   0.000044276   0.000150147
 H     -0.735994      2.235972      0.239741    0.00   0.000022364  -0.000044322   0.000150131
19
 Energy =     -0.0967469111292
 C      0.710591     -0.711530     -0.306942    0.00   0.000154439  -0.000000864   0.000739207
 C      0.710636      0.711579     -0.306724    0.00   0.000154435   0.000000622   0.000739216
 C      1.898664      1.411718     -0.126724    0.00   0.000290211  -0.000034122  -0.000136011
 C      3.089967      0.697315      0.076090    0.00   0.000443702   0.000011777  -0.001120978
 C      3.089923     -0.697534      0.075878    0.00   0.000443708  -0.000011462  -0.001121008
 C      1.898574     -1.411799     -0.127154    0.00   0.000290221   0.000034143  -0.000136043
 C     -0.646471     -1.327334     -0.399126    0.00   0.000161947  -0.000111052   0.001214569
 C     -0.646387      1.327498     -0.398717    0.00   0.000161952   0.000110661   0.001214582
 H      1.905329      2.499938     -0.123205    0.00   0.000023824  -0.000002912  -0.000012616
 H      4.018995      1.241673      0.242100    0.00   0.000036751  -0.000003921  -0.000163360
 H      4.018915     -1.242002      0.241722    0.00   0.000036752   0.000003969  -0.000163364
 H      1.905169     -2.500020     -0.123968    0.00   0.000023826   0.000002914  -0.000012620
 H     -0.879471     -1.672000     -1.425566    0.00   0.000026694  -0.000077139   0.000138597
 H     -0.879365      1.672496     -1.425050    0.00   0.000026700   0.000077092   0.000138617
 S     -1.708056      0.000032      0.144531    0.00  -0.000674412  -0.000000003   0.000184117
 O     -1.766711     -0.000189      1.588494    0.00  -0.002489257   0.000000116  -0.000059825
 O     -2.943277      0.000187     -0.605195    0.00   0.000842532   0.000000228  -0.001753494
 H     -0.738567     -2.239384      0.221281    0.00   0.000022989   0.000043985   0.000155217
 H     -0.738424      2.239362      0.221972    0.00   0.000022986  -0.000044033   0.000155200
19
 Energy =      -0.096451930833
 C      0.709347     -0.711615     -0.313661    0.00   0.000160347  -0.000000409   0.000770258
 C      0.709392      0.711667     -0.313443    0.00   0.000160343   0.000000157   0.000770268
 C      1.896046      1.411850     -0.125487    0.00   0.000307818  -0.000034904  -0.000138186
 C      3.085761      0.697299      0.086266    0.00   0.000476414   0.000011848  -0.001163437
 C      3.085716     -0.697521      0.086054    0.00   0.000476422  -0.000011523  -0.001163475
 C      1.895956     -1.411931     -0.125917    0.00   0.000307831   0.000034923  -0.000138223
 C     -0.648022     -1.326372     -0.410135    0.00   0.000168659  -0.000115437   0.001250874
 C     -0.647938      1.326540     -0.409726    0.00   0.000168665   0.000115033   0.001250885
 H      1.902738      2.500060     -0.121845    0.00   0.000025307  -0.000002974  -0.000012838
 H      4.013477      1.241635      0.259539    0.00   0.000040434  -0.000003955  -0.000169831
 H      4.013398     -1.241969      0.259162    0.00   0.000040435   0.000004005  -0.000169835
 H      1.902578     -2.500143     -0.122608    0.00   0.000025309   0.000002977  -0.000012844
 H     -0.882088     -1.663102     -1.438832    0.00   0.000027975  -0.000079753   0.000141062
 H     -0.881984      1.663602     -1.438318    0.00   0.000027981   0.000079705   0.000141082
 S     -1.705851      0.000032      0.143961    0.00  -0.000715480  -0.000000001   0.000189216
 O     -1.749716     -0.000190      1.588444    0.00  -0.002585231   0.000000120  -0.000036943
 O     -2.948590      0.000186     -0.593005    0.00   0.000839569   0.000000238  -0.001828525
 H     -0.740978     -2.242651      0.203649    0.00   0.000023603   0.000043654   0.000160254
 H     -0.740835      2.242635      0.204342    0.00   0.000023599  -0.000043703   0.000160237
19
 Energy =     -0.0961461497573
 C      0.708098     -0.711701     -0.320413    0.00   0.000166279   0.000000039   0.000802134
 C      0.708143      0.711755     -0.320195    0.00   0.000166275  -0.000000303   0.000802145
 C      1.893368      1.411983     -0.124275    0.00   0.000326014  -0.000035695  -0.000140138
 C      3.081416      0.697284      0.096451    0.00   0.000510620   0.000011912  -0.001206685
 C      3.081371     -0.697508      0.096239    0.00   0.000510630  -0.000011576  -0.001206726
 C      1.893277     -1.412065     -0.124705    0.00   0.000326029   0.000035715  -0.000140182
 C     -0.649576     -1.325405     -0.421068    0.00   0.000175460  -0.000119810   0.001287220
 C     -0.649491      1.325576     -0.420659    0.00   0.000175466   0.000119393   0.001287228
 H      1.900084      2.500184     -0.120512    0.00   0.000026841  -0.000003038  -0.000013036
 H      4.007757      1.241596      0.277019    0.00   0.000044303  -0.000003990  -0.000176443
 H      4.007677     -1.241935      0.276642    0.00   0.000044303   0.000004042  -0.000176449
 H      1.899924     -2.500267     -0.121274    0.00   0.000026843   0.000003040  -0.000013043
 H     -0.884754     -1.654278     -1.451917    0.00   0.000029314  -0.000082327   0.000143485
 H     -0.884650      1.654783     -1.451406    0.00   0.000029320   0.000082277   0.000143505
 S     -1.703588      0.000032      0.143396    0.00  -0.000758269  -0.000000001   0.000194143
 O     -1.732701     -0.000191      1.588250    0.00  -0.002682549   0.000000124  -0.000012733
 O     -2.953692      0.000184     -0.580763    0.00   0.000834709   0.000000249  -0.001904917
 H     -0.743370     -2.245802      0.186161    0.00   0.000024208   0.000043282   0.000165254
 H     -0.743226      2.245792      0.186855    0.00   0.000024203  -0.000043333   0.000165237
19
 Energy =     -0.0958293731986
 C      0.706845     -0.711787     -0.327198    0.00   0.000172223   0.000000477   0.000834864
 C      0.706890      0.711843     -0.326980    0.00   0.000172218  -0.000000752   0.000834874
 C      1.890629      1.412118     -0.123090    0.00   0.000344794  -0.000036497  -0.000141835
 C      3.076931      0.697269      0.106644    0.00   0.000546365   0.000011963  -0.001250727
 C      3.076886     -0.697497      0.106432    0.00   0.000546376  -0.000011616  -0.001250772
 C      1.890539     -1.412200     -0.123519    0.00   0.000344811   0.000036515  -0.000141886
 C     -0.651132     -1.324435     -0.431924    0.00   0.000182342  -0.000124158   0.001323572
 C     -0.651048      1.324609     -0.431515    0.00   0.000182348   0.000123727   0.001323577
 H      1.897368      2.500309     -0.119207    0.00   0.000028425  -0.000003102  -0.000013205
 H      4.001831      1.241556      0.294541    0.00   0.000048362  -0.000004027  -0.000183201
 H      4.001752     -1.241901      0.294165    0.00   0.000048363   0.000004081  -0.000183208
 H      1.897208     -2.500393     -0.119968    0.00   0.000028428   0.000003104  -0.000013214
 H     -0.887470     -1.645533     -1.464821    0.00   0.000030713  -0.000084856   0.000145863
 H     -0.887366      1.646043     -1.464313    0.00   0.000030719   0.000084806   0.000145884
 S     -1.701265      0.000032      0.142835    0.00  -0.000802821   0.000000001   0.000198855
 O     -1.715670     -0.000192      1.587913    0.00  -0.002781142   0.000000128   0.000012789
 O     -2.958584      0.000182     -0.568472    0.00   0.000827879   0.000000260  -0.001982633
 H     -0.745740     -2.248840      0.168820    0.00   0.000024800   0.000042872   0.000170210
 H     -0.745596      2.248835      0.169515    0.00   0.000024796  -0.000042924   0.000170192
19
 Energy =     -0.0955014063316
 C      0.705588     -0.711873     -0.334016    0.00   0.000178142   0.000000941   0.000868477
 C      0.705634      0.711931     -0.333799    0.00   0.000178137  -0.000001228   0.000868487
 C      1.887832      1.412254     -0.121932    0.00   0.000364198  -0.000037308  -0.000143228
 C      3.072307      0.697255      0.116845    0.00   0.000583668   0.000012039  -0.001295585
 C      3.072262     -0.697486      0.116634    0.00   0.000583682  -0.000011682  -0.001295635
 C      1.887742     -1.412336     -0.122361    0.00   0.000364217   0.000037324  -0.000143284
 C     -0.652690     -1.323461     -0.442701    0.00   0.000189296  -0.000128473   0.001359894
 C     -0.652606      1.323639     -0.442292    0.00   0.000189302   0.000128029   0.001359899
 H      1.894591      2.500436     -0.117932    0.00   0.000030060  -0.000003166  -0.000013340
 H      3.995700      1.241516      0.312105    0.00   0.000052620  -0.000004064  -0.000190109
 H      3.995620     -1.241865      0.311730    0.00   0.000052621   0.000004120  -0.000190116
 H      1.894430     -2.500520     -0.118692    0.00   0.000030063   0.000003168  -0.000013350
 H     -0.890235     -1.636870     -1.477545    0.00   0.000032174  -0.000087337   0.000148194
 H     -0.890133      1.637384     -1.477039    0.00   0.000032182   0.000087284   0.000148215
 S     -1.698883      0.000032      0.142280    0.00  -0.000849186   0.000000003   0.000203291
 O     -1.698625     -0.000192      1.587435    0.00  -0.002880927   0.000000132   0.000039602
 O     -2.963263      0.000181     -0.556133    0.00   0.000818999   0.000000271  -0.002061624
 H     -0.748088     -2.251768      0.151630    0.00   0.000025378   0.000042424   0.000175115
 H     -0.747944      2.251767      0.152327    0.00   0.000025374  -0.000042477   0.000175095
19
 Energy =     -0.0951620544124
 C      0.704329     -0.711959     -0.340869    0.00   0.000184096   0.000001291   0.000903033
 C      0.704375      0.712020     -0.340651    0.00   0.000184089  -0.000001591   0.000903046
 C      1.884978      1.412392     -0.120802    0.00   0.000384065  -0.000038125  -0.000144297
 C      3.067543      0.697243      0.127054    0.00   0.000622656   0.000012007  -0.001341256
 C      3.067498     -0.697476      0.126844    0.00   0.000622672  -0.000011638  -0.001341310
 C      1.884887     -1.412474     -0.121231    0.00   0.000384088   0.000038140  -0.000144360
 C     -0.654249     -1.322486     -0.453398    0.00   0.000196310  -0.000132735   0.001396150
 C     -0.654165      1.322668     -0.452989    0.00   0.000196317   0.000132277   0.001396150
 H      1.891754      2.500564     -0.116689    0.00   0.000031743  -0.000003232  -0.000013435
 H      3.989361      1.241474      0.329712    0.00   0.000057081  -0.000004104  -0.000197175
 H      3.989280     -1.241828      0.329338    0.00   0.000057083   0.000004162  -0.000197182
 H      1.891593     -2.500648     -0.117448    0.00   0.000031746   0.000003234  -0.000013445
 H     -0.893052     -1.628292     -1.490089    0.00   0.000033703  -0.000089766   0.000150474
 H     -0.892951      1.628811     -1.489584    0.00   0.000033710   0.000089713   0.000150496
 S     -1.696442      0.000032      0.141732    0.00  -0.000897411   0.000000005   0.000207379
 O     -1.681571     -0.000193      1.586819    0.00  -0.002981808   0.000000135   0.000067662
 O     -2.967731      0.000179     -0.543750    0.00   0.000807987   0.000000284  -0.002141831
 H     -0.750412     -2.254586      0.134595    0.00   0.000025939   0.000041941   0.000179961
 H     -0.750268      2.254592      0.135294    0.00   0.000025934  -0.000041996   0.000179942
19
 Energy =     -0.0948111229213
 C      0.703069     -0.712045     -0.347758    0.00   0.000189975   0.000001684   0.000938572
 C      0.703114      0.712108     -0.347540    0.00   0.000189967  -0.000001996   0.000938586
 C      1.882066      1.412531     -0.119703    0.00   0.000404560  -0.000038952  -0.000144940
 C      3.062638      0.697231      0.137272    0.00   0.000663291   0.000012016  -0.001387787
 C      3.062593     -0.697467      0.137062    0.00   0.000663310  -0.000011635  -0.001387850
 C      1.881975     -1.412613     -0.120131    0.00   0.000404587   0.000038965  -0.000145014
 C     -0.655809     -1.321510     -0.464014    0.00   0.000203381  -0.000136956   0.001432291
 C     -0.655725      1.321696     -0.463605    0.00   0.000203387   0.000136484   0.001432287
 H      1.888859      2.500693     -0.115481    0.00   0.000033474  -0.000003299  -0.000013478
 H      3.982811      1.241432      0.347364    0.00   0.000061754  -0.000004147  -0.000204408
 H      3.982731     -1.241791      0.346990    0.00   0.000061756   0.000004206  -0.000204417
 H      1.888698     -2.500777     -0.116239    0.00   0.000033478   0.000003300  -0.000013490
 H     -0.895922     -1.619803     -1.502452    0.00   0.000035303  -0.000092135   0.000152698
 H     -0.895821      1.620326     -1.501949    0.00   0.000035311   0.000092080   0.000152720
 S     -1.693942      0.000032      0.141191    0.00  -0.000947561   0.000000007   0.000211029
 O     -1.664513     -0.000194      1.586067    0.00  -0.003083664   0.000000140   0.000096937
 O     -2.971985      0.000177     -0.531326    0.00   0.000794738   0.000000295  -0.002223203
 H     -0.752712     -2.257299      0.117720    0.00   0.000026478   0.000041421   0.000184743
 H     -0.752567      2.257309      0.118420    0.00   0.000026473  -0.000041478   0.000184723
19
 Energy =     -0.0944484176267
 C      0.701809     -0.712131     -0.354683    0.00   0.000195771   0.000002076   0.000975170
 C      0.701854      0.712196     -0.354465    0.00   0.000195763  -0.000002402   0.000975182
 C      1.879100      1.412671     -0.118635    0.00   0.000425635  -0.000039788  -0.000145082
 C      3.057591      0.697220      0.147499    0.00   0.000705649   0.000012041  -0.001435227
 C      3.057546     -0.697459      0.147289    0.00   0.000705671  -0.000011648  -0.001435295
 C      1.879009     -1.412753     -0.119063    0.00   0.000425667   0.000039799  -0.000145168
 C     -0.657370     -1.320535     -0.474547    0.00   0.000210483  -0.000141103   0.001468283
 C     -0.657286      1.320724     -0.474138    0.00   0.000210489   0.000140615   0.001468272
 H      1.885907      2.500823     -0.114311    0.00   0.000035248  -0.000003366  -0.000013455
 H      3.976049      1.241389      0.365062    0.00   0.000066646  -0.000004193  -0.000211814
 H      3.975969     -1.241753      0.364689    0.00   0.000066649   0.000004254  -0.000211825
 H      1.885745     -2.500907     -0.115068    0.00   0.000035253   0.000003368  -0.000013469
 H     -0.898846     -1.611406     -1.514634    0.00   0.000036980  -0.000094442   0.000154866
 H     -0.898745      1.611933     -1.514134    0.00   0.000036989   0.000094385   0.000154887
 S     -1.691382      0.000032      0.140658    0.00  -0.000999692   0.000000009   0.000214102
 O     -1.647454     -0.000195      1.585182    0.00  -0.003186349   0.000000145   0.000127337
 O     -2.976026      0.000176     -0.518864    0.00   0.000779172   0.000000308  -0.002305646
 H     -0.754985     -2.259908      0.101008    0.00   0.000026991   0.000040869   0.000189450
 H     -0.754840      2.259924      0.101710    0.00   0.000026986  -0.000040927   0.000189429
19
 Energy =     -0.0940737447027
 C      0.700549     -0.712216     -0.361647    0.00   0.000201488   0.000002414   0.001012928
 C      0.700595      0.712284     -0.361430    0.00   0.000201477  -0.000002755   0.001012943
 C      1.876079      1.412811     -0.117602    0.00   0.000447197  -0.000040629  -0.000144637
 C      3.052402      0.697210      0.157735    0.00   0.000749828   0.000012016  -0.001483607
 C      3.052357     -0.697452      0.157525    0.00   0.000749853  -0.000011611  -0.001483682
 C      1.875988     -1.412893     -0.118029    0.00   0.000447234   0.000040638  -0.000144734
 C     -0.658930     -1.319561     -0.484996    0.00   0.000217600  -0.000145188   0.001504061
 C     -0.658846      1.319753     -0.484587    0.00   0.000217607   0.000144685   0.001504047
 H      1.882899      2.500954     -0.113184    0.00   0.000037064  -0.000003434  -0.000013356
 H      3.969073      1.241345      0.382810    0.00   0.000071768  -0.000004243  -0.000219415
 H      3.968991     -1.241714      0.382438    0.00   0.000071770   0.000004307  -0.000219427
 H      1.882737     -2.501038     -0.113939    0.00   0.000037069   0.000003435  -0.000013371
 H     -0.901825     -1.603104     -1.526635    0.00   0.000038747  -0.000096685   0.000156970
 H     -0.901726      1.603636     -1.526137    0.00   0.000038755   0.000096626   0.000156990
 S     -1.688762      0.000032      0.140136    0.00  -0.001053873   0.000000012   0.000216488
 O     -1.630399     -0.000195      1.584167    0.00  -0.003289671   0.000000149   0.000158771
 O     -2.979851      0.000174     -0.506367    0.00   0.000761146   0.000000322  -0.002389102
 H     -0.757230     -2.262416      0.084464    0.00   0.000027473   0.000040285   0.000194078
 H     -0.757085      2.262437      0.085167    0.00   0.000027467  -0.000040344   0.000194055
19
 Energy =     -0.0936869106539
 C      0.699293     -0.712301     -0.368653    0.00   0.000207043   0.000002751   0.001051960
 C      0.699338      0.712371     -0.368435    0.00   0.000207032  -0.000003107   0.001051979
 C      1.873007      1.412953     -0.116607    0.00   0.000469289  -0.000041480  -0.000143459
 C      3.047070      0.697202      0.167981    0.00   0.000795862   0.000012009  -0.001533014
 C      3.047024     -0.697446      0.167772    0.00   0.000795892  -0.000011593  -0.001533101
 C      1.872915     -1.413035     -0.117033    0.00   0.000469332   0.000041485  -0.000143566
 C     -0.660489     -1.318589     -0.495359    0.00   0.000224713  -0.000149211   0.001539595
 C     -0.660405      1.318785     -0.494950    0.00   0.000224719   0.000148693   0.001539575
 H      1.879838      2.501085     -0.112103    0.00   0.000038915  -0.000003503  -0.000013158
 H      3.961877      1.241300      0.400610    0.00   0.000077126  -0.000004298  -0.000227228
 H      3.961796     -1.241674      0.400240    0.00   0.000077130   0.000004365  -0.000227241
 H      1.879675     -2.501169     -0.112857    0.00   0.000038921   0.000003504  -0.000013175
 H     -0.904863     -1.594900     -1.538455    0.00   0.000040606  -0.000098859   0.000159007
 H     -0.904764      1.595437     -1.537958    0.00   0.000040615   0.000098797   0.000159027
 S     -1.686083      0.000032      0.139624    0.00  -0.001110195   0.000000015   0.000217941
 O     -1.613354     -0.000196      1.583027    0.00  -0.003393385   0.000000154   0.000191111
 O     -2.983461      0.000172     -0.493840    0.00   0.000740558   0.000000337  -0.002473464
 H     -0.759445     -2.264826      0.068091    0.00   0.000027915   0.000039671   0.000198617
 H     -0.759299      2.264852      0.068796    0.00   0.000027910  -0.000039731   0.000198593
19
 Energy =     -0.0932877222102
 C      0.698040     -0.712385     -0.375702    0.00   0.000212453   0.000002950   0.001092442
 C      0.698086      0.712457     -0.375485    0.00   0.000212440  -0.000003323   0.001092459
 C      1.869883      1.413095     -0.115651    0.00   0.000491718  -0.000042336  -0.000141420
 C      3.041592      0.697195      0.178239    0.00   0.000843905   0.000011891  -0.001583521
 C      3.041547     -0.697442      0.178030    0.00   0.000843939  -0.000011462  -0.001583614
 C      1.869791     -1.413177     -0.116077    0.00   0.000491769   0.000042340  -0.000141541
 C     -0.662046     -1.317620     -0.505635    0.00   0.000231785  -0.000153181   0.001574839
 C     -0.661962      1.317819     -0.505226    0.00   0.000231791   0.000152644   0.001574810
 H      1.876726      2.501217     -0.111076    0.00   0.000040795  -0.000003574  -0.000012839
 H      3.954460      1.241254      0.418469    0.00   0.000082736  -0.000004361  -0.000235279
 H      3.954378     -1.241633      0.418100    0.00   0.000082740   0.000004429  -0.000235293
 H      1.876563     -2.501301     -0.111829    0.00   0.000040802   0.000003574  -0.000012858
 H     -0.907962     -1.586796     -1.550092    0.00   0.000042572  -0.000100968   0.000160978
 H     -0.907863      1.587338     -1.549598    0.00   0.000042581   0.000100906   0.000160998
 S     -1.683342      0.000032      0.139127    0.00  -0.001168748   0.000000020   0.000218197
 O     -1.596325     -0.000197      1.581765    0.00  -0.003497163   0.000000157   0.000224170
 O     -2.986853      0.000171     -0.481284    0.00   0.000717270   0.000000353  -0.002558635
 H     -0.761627     -2.267139      0.051893    0.00   0.000028312   0.000039030   0.000203066
 H     -0.761480      2.267170      0.052600    0.00   0.000028306  -0.000039092   0.000203042
19
 Energy =     -0.0928759860763
 C      0.696793     -0.712468     -0.382800    0.00   0.000217571   0.000003131   0.001134545
 C      0.696839      0.712542     -0.382583    0.00   0.000217557  -0.000003522   0.001134566
 C      1.866711      1.413237     -0.114741    0.00   0.000514555  -0.000043202  -0.000138285
 C      3.035969      0.697189      0.188510    0.00   0.000893969   0.000011776  -0.001635268
 C      3.035923     -0.697439      0.188302    0.00   0.000894009  -0.000011331  -0.001635372
 C      1.866619     -1.413319     -0.115165    0.00   0.000514613   0.000043202  -0.000138418
 C     -0.663600     -1.316654     -0.515822    0.00   0.000238779  -0.000157146   0.001609769
 C     -0.663516      1.316857     -0.515413    0.00   0.000238785   0.000156594   0.001609732
 H      1.873566      2.501349     -0.110111    0.00   0.000042693  -0.000003645  -0.000012368
 H      3.946817      1.241208      0.436393    0.00   0.000088609  -0.000004432  -0.000243598
 H      3.946735     -1.241592      0.436025    0.00   0.000088614   0.000004503  -0.000243615
 H      1.873402     -2.501434     -0.110862    0.00   0.000042702   0.000003646  -0.000012389
 H     -0.911124     -1.578795     -1.561547    0.00   0.000044657  -0.000103020   0.000162882
 H     -0.911027      1.579341     -1.561055    0.00   0.000044666   0.000102955   0.000162901
 S     -1.680541      0.000032      0.138645    0.00  -0.001229636   0.000000022   0.000216905
 O     -1.579320     -0.000197      1.580386    0.00  -0.003600566   0.000000162   0.000257712
 O     -2.990027      0.000169     -0.468706    0.00   0.000691126   0.000000373  -0.002644525
 H     -0.763773     -2.269359      0.035874    0.00   0.000028652   0.000038368   0.000207427
 H     -0.763626      2.269395      0.036582    0.00   0.000028646  -0.000038430   0.000207400
19
 Energy =     -0.0924515084951
 C      0.695554     -0.712549     -0.389950    0.00   0.000222303   0.000003253   0.001178527
 C      0.695600      0.712626     -0.389733    0.00   0.000222285  -0.000003663   0.001178549
 C      1.863494      1.413380     -0.113880    0.00   0.000537670  -0.000044075  -0.000133809
 C      3.030197      0.697185      0.198798    0.00   0.000946162   0.000011659  -0.001688406
 C      3.030151     -0.697438      0.198591    0.00   0.000946209  -0.000011201  -0.001688523
 C      1.863401     -1.413462     -0.114304    0.00   0.000537739   0.000044071  -0.000133959
 C     -0.665150     -1.315692     -0.525920    0.00   0.000245636  -0.000161179   0.001644395
 C     -0.665067      1.315898     -0.525510    0.00   0.000245641   0.000160608   0.001644348
 H      1.870361      2.501482     -0.109215    0.00   0.000044596  -0.000003718  -0.000011708
 H      3.938943      1.241161      0.454389    0.00   0.000094761  -0.000004514  -0.000252227
 H      3.938860     -1.241550      0.454023    0.00   0.000094766   0.000004587  -0.000252245
 H      1.870197     -2.501566     -0.109964    0.00   0.000044606   0.000003718  -0.000011731
 H     -0.914355     -1.570897     -1.572820    0.00   0.000046880  -0.000105033   0.000164727
 H     -0.914258      1.571447     -1.572329    0.00   0.000046890   0.000104965   0.000164746
 S     -1.677677      0.000032      0.138183    0.00  -0.001292971   0.000000028   0.000213576
 O     -1.562349     -0.000198      1.578898    0.00  -0.003702985   0.000000166   0.000291396
 O     -2.992979      0.000167     -0.456107    0.00   0.000661970   0.000000392  -0.002731045
 H     -0.765880     -2.271488      0.020034    0.00   0.000028924   0.000037690   0.000211709
 H     -0.765733      2.271529      0.020745    0.00   0.000028918  -0.000037754   0.000211680
19
 Energy =     -0.0920140944303
 C      0.694326     -0.712629     -0.397159    0.00   0.000226474   0.000003333   0.001224703
 C      0.694372      0.712708     -0.396942    0.00   0.000226454  -0.000003764   0.001224722
 C      1.860233      1.413522     -0.113076    0.00   0.000560953  -0.000044957  -0.000127674
 C      3.024275      0.697183      0.209105    0.00   0.001000558   0.000011564  -0.001743139
 C      3.024229     -0.697439      0.208899    0.00   0.001000612  -0.000011090  -0.001743268
 C      1.860140     -1.413605     -0.113498    0.00   0.000561033   0.000044947  -0.000127840
 C     -0.666695     -1.314733     -0.535926    0.00   0.000252273  -0.000165406   0.001678778
 C     -0.666611      1.314942     -0.535516    0.00   0.000252279   0.000164815   0.001678720
 H      1.867116      2.501615     -0.108401    0.00   0.000046484  -0.000003794  -0.000010811
 H      3.930831      1.241113      0.472469    0.00   0.000101209  -0.000004610  -0.000261216
 H      3.930748     -1.241507      0.472104    0.00   0.000101216   0.000004686  -0.000261237
 H      1.866951     -2.501699     -0.109149    0.00   0.000046496   0.000003793  -0.000010837
 H     -0.917659     -1.563099     -1.583910    0.00   0.000049259  -0.000107046   0.000166531
 H     -0.917563      1.563654     -1.583420    0.00   0.000049269   0.000106975   0.000166549
 S     -1.674751      0.000031      0.137744    0.00  -0.001358871   0.000000032   0.000207556
 O     -1.545422     -0.000199      1.577307    0.00  -0.003803572   0.000000170   0.000324753
 O     -2.995708      0.000165     -0.443493    0.00   0.000629643   0.000000416  -0.002818138
 H     -0.767944     -2.273528      0.004376    0.00   0.000029118   0.000037007   0.000215939
 H     -0.767797      2.273574      0.005088    0.00   0.000029111  -0.000037073   0.000215908
19
 Energy =     -0.0915635463596
 C      0.693112     -0.712706     -0.404434    0.00   0.000229936   0.000003224   0.001273482
 C      0.693158      0.712788     -0.404217    0.00   0.000229915  -0.000003680   0.001273503
 C      1.856934      1.413665     -0.112335    0.00   0.000584057  -0.000045845  -0.000119529
 C      3.018202      0.697183      0.219436    0.00   0.001057315   0.000011362  -0.001799704
 C      3.018155     -0.697442      0.219231    0.00   0.001057378  -0.000010871  -0.001799846
 C      1.856840     -1.413747     -0.112756    0.00   0.000584150   0.000045829  -0.000119712
 C     -0.668232     -1.313776     -0.545842    0.00   0.000258575  -0.000170050   0.001713077
 C     -0.668149      1.313989     -0.545431    0.00   0.000258579   0.000169438   0.001713005
 H      1.863838      2.501747     -0.107683    0.00   0.000048330  -0.000003871  -0.000009619
 H      3.922475      1.241064      0.490646    0.00   0.000107971  -0.000004723  -0.000270625
 H      3.922391     -1.241463      0.490282    0.00   0.000107979   0.000004803  -0.000270648
 H      1.863672     -2.501831     -0.108429    0.00   0.000048345   0.000003870  -0.000009647
 H     -0.921041     -1.555396     -1.594819    0.00   0.000051819  -0.000109122   0.000168327
 H     -0.920946      1.555957     -1.594331    0.00   0.000051830   0.000109049   0.000168344
 S     -1.671761      0.000031      0.137335    0.00  -0.001427455   0.000000039   0.000197958
 O     -1.528555     -0.000200      1.575623    0.00  -0.003901135   0.000000173   0.000357135
 O     -2.998212      0.000163     -0.430867    0.00   0.000593978   0.000000441  -0.002905808
 H     -0.769961     -2.275484     -0.011106    0.00   0.000029220   0.000036336   0.000220170
 H     -0.769814      2.275534     -0.010391    0.00   0.000029213  -0.000036403   0.000220137
19
 Energy =     -0.0910996620785
 C      0.691917     -0.712781     -0.411784    0.00   0.000232336   0.000002969   0.001325374
 C      0.691964      0.712865     -0.411567    0.00   0.000232312  -0.000003450   0.001325398
 C      1.853601      1.413807     -0.111667    0.00   0.000606764  -0.000046740  -0.000108900
 C      3.011973      0.697186      0.229797    0.00   0.001116456   0.000011126  -0.001858415
 C      3.011926     -0.697447      0.229592    0.00   0.001116530  -0.000010617  -0.001858571
 C      1.853507     -1.413890     -0.112088    0.00   0.000606873   0.000046719  -0.000109101
 C     -0.669759     -1.312817     -0.555668    0.00   0.000264384  -0.000175472   0.001747601
 C     -0.669676      1.313034     -0.555257    0.00   0.000264389   0.000174836   0.001747514
 H      1.860534      2.501879     -0.107077    0.00   0.000050099  -0.000003952  -0.000008064
 H      3.913868      1.241015      0.508934    0.00   0.000115069  -0.000004859  -0.000280532
 H      3.913783     -1.241419      0.508572    0.00   0.000115078   0.000004942  -0.000280558
 H      1.860366     -2.501963     -0.107821    0.00   0.000050116   0.000003949  -0.000008095
 H     -0.924507     -1.547778     -1.605550    0.00   0.000054586  -0.000111373   0.000170172
 H     -0.924413      1.548344     -1.605063    0.00   0.000054597   0.000111296   0.000170187
 S     -1.668707      0.000031      0.136961    0.00  -0.001498853   0.000000043   0.000183545
 O     -1.511768     -0.000200      1.573860    0.00  -0.003993978   0.000000177   0.000387649
 O     -3.000489      0.000161     -0.418234    0.00   0.000554816   0.000000473  -0.002994161
 H     -0.771927     -2.277356     -0.026417    0.00   0.000029218   0.000035699   0.000224497
 H     -0.771779      2.277412     -0.025700    0.00   0.000029210  -0.000035767   0.000224461
19
 Energy =      -0.090622231003
 C      0.690748     -0.712852     -0.419220    0.00   0.000233237   0.000002507   0.001381043
 C      0.690795      0.712939     -0.419004    0.00   0.000233207  -0.000003018   0.001381069
 C      1.850243      1.413949     -0.111084    0.00   0.000628626  -0.000047644  -0.000095238
 C      3.005589      0.697191      0.240193    0.00   0.001178024   0.000010829  -0.001919653
 C      3.005541     -0.697456      0.239989    0.00   0.001178109  -0.000010298  -0.001919824
 C      1.850148     -1.414031     -0.111503    0.00   0.000628753   0.000047615  -0.000095460
 C     -0.671273     -1.311852     -0.565408    0.00   0.000269470  -0.000182247   0.001782900
 C     -0.671190      1.312072     -0.564996    0.00   0.000269476   0.000181584   0.001782797
 H      1.857213      2.502011     -0.106604    0.00   0.000051739  -0.000004036  -0.000006063
 H      3.904999      1.240965      0.527354    0.00   0.000122524  -0.000005021  -0.000291031
 H      3.904913     -1.241375      0.526994    0.00   0.000122535   0.000005109  -0.000291060
 H      1.857044     -2.502095     -0.107346    0.00   0.000051758   0.000004033  -0.000006097
 H     -0.928066     -1.540225     -1.616109    0.00   0.000057589  -0.000113973   0.000172161
 H     -0.927973      1.540796     -1.615623    0.00   0.000057601   0.000113892   0.000172175
 S     -1.665587      0.000031      0.136634    0.00  -0.001573172   0.000000053   0.000162629
 O     -1.495089     -0.000201      1.572032    0.00  -0.004079683   0.000000179   0.000415026
 O     -3.002534      0.000159     -0.405595    0.00   0.000512016   0.000000506  -0.003083490
 H     -0.773835     -2.279151     -0.041575    0.00   0.000029100   0.000035129   0.000229079
 H     -0.773687      2.279211     -0.040856    0.00   0.000029092  -0.000035199   0.000229039
19
 Energy =     -0.0901310272598
 C      0.689614     -0.712918     -0.426758    0.00   0.000231997   0.000001774   0.001441351
 C      0.689660      0.713009     -0.426541    0.00   0.000231964  -0.000002320   0.001441374
 C      1.846868      1.414090     -0.110598    0.00   0.000649038  -0.000048556  -0.000077892
 C      2.999046      0.697200      0.250633    0.00   0.001241977   0.000010458  -0.001983890
 C      2.998998     -0.697467      0.250430    0.00   0.001242075  -0.000009904  -0.001984079
 C      1.846772     -1.414172     -0.111016    0.00   0.000649187   0.000048518  -0.000078136
 C     -0.672769     -1.310873     -0.575069    0.00   0.000273503  -0.000191264   0.001819897
 C     -0.672685      1.311097     -0.574657    0.00   0.000273509   0.000190572   0.001819779
 H      1.853890      2.502141     -0.106288    0.00   0.000053183  -0.000004126  -0.000003522
 H      3.895860      1.240915      0.545929    0.00   0.000130356  -0.000005218  -0.000302233
 H      3.895773     -1.241330      0.545571    0.00   0.000130370   0.000005309  -0.000302266
 H      1.853720     -2.502225     -0.107027    0.00   0.000053207   0.000004122  -0.000003559
 H     -0.931724     -1.532705     -1.626508    0.00   0.000060863  -0.000117203   0.000174446
 H     -0.931632      1.533280     -1.626023    0.00   0.000060876   0.000117117   0.000174459
 S     -1.662400      0.000031      0.136364    0.00  -0.001650508   0.000000061   0.000132875
 O     -1.478553     -0.000202      1.570161    0.00  -0.004154792   0.000000182   0.000437464
 O     -3.004347      0.000157     -0.392951    0.00   0.000465486   0.000000548  -0.003174370
 H     -0.775681     -2.280870     -0.056608    0.00   0.000028859   0.000034675   0.000234172
 H     -0.775532      2.280936     -0.055886    0.00   0.000028850  -0.000034747   0.000234129
19
 Energy =     -0.0896257966942
 C      0.688525     -0.712980     -0.434413    0.00   0.000227700   0.000000684   0.001507429
 C      0.688572      0.713073     -0.434197    0.00   0.000227662  -0.000001270   0.001507454
 C      1.843489      1.414229     -0.110226    0.00   0.000667151  -0.000049477  -0.000056122
 C      2.992345      0.697212      0.261126    0.00   0.001308163   0.000009985  -0.002051692
 C      2.992297     -0.697482      0.260924    0.00   0.001308280  -0.000009402  -0.002051901
 C      1.843393     -1.414311     -0.110643    0.00   0.000667327   0.000049428  -0.000056387
 C     -0.674241     -1.309867     -0.584664    0.00   0.000276015  -0.000203883   0.001860081
 C     -0.674157      1.310094     -0.584251    0.00   0.000276023   0.000203157   0.001859949
 H      1.850581      2.502270     -0.106157    0.00   0.000054342  -0.000004223  -0.000000334
 H      3.886440      1.240864      0.564685    0.00   0.000138585  -0.000005456  -0.000314273
 H      3.886352     -1.241285      0.564329    0.00   0.000138601   0.000005552  -0.000314309
 H      1.850409     -2.502353     -0.106894    0.00   0.000054370   0.000004218  -0.000000375
 H     -0.935490     -1.525166     -1.636765    0.00   0.000064444  -0.000121489   0.000177266
 H     -0.935399      1.525747     -1.636281    0.00   0.000064457   0.000121399   0.000177279
 S     -1.659146      0.000031      0.136170    0.00  -0.001730926   0.000000072   0.000091029
 O     -1.462211     -0.000202      1.568276    0.00  -0.004214361   0.000000185   0.000452422
 O     -3.005923      0.000155     -0.380302    0.00   0.000415185   0.000000595  -0.003267830
 H     -0.777459     -2.282520     -0.071562    0.00   0.000028496   0.000034406   0.000240180
 H     -0.777310      2.282590     -0.070838    0.00   0.000028487  -0.000034481   0.000240134
19
 Energy =     -0.0891062313208
 C      0.687500     -0.713034     -0.442209    0.00   0.000219012  -0.000000853   0.001580799
 C      0.687547      0.713130     -0.441992    0.00   0.000218968   0.000000216   0.001580821
 C      1.840124      1.414367     -0.109985    0.00   0.000681826  -0.000050409  -0.000029093
 C      2.985488      0.697229      0.271682    0.00   0.001376229   0.000009405  -0.002123747
 C      2.985439     -0.697502      0.271481    0.00   0.001376365  -0.000008789  -0.002123974
 C      1.840026     -1.414448     -0.110400    0.00   0.000682038   0.000050345  -0.000029387
 C     -0.675679     -1.308812     -0.594212    0.00   0.000276330  -0.000222147   0.001905780
 C     -0.675596      1.309043     -0.593798    0.00   0.000276341   0.000221382   0.001905636
 H      1.847308      2.502397     -0.106243    0.00   0.000055098  -0.000004329   0.000003606
 H      3.876730      1.240815      0.583653    0.00   0.000147223  -0.000005743  -0.000327302
 H      3.876641     -1.241241      0.583300    0.00   0.000147242   0.000005846  -0.000327342
 H      1.847135     -2.502480     -0.106977    0.00   0.000055131   0.000004321   0.000003562
 H     -0.939373     -1.517529     -1.646909    0.00   0.000068372  -0.000127480   0.000180985
 H     -0.939282      1.518115     -1.646426    0.00   0.000068385   0.000127386   0.000180997
 S     -1.655825      0.000031      0.136072    0.00  -0.001814448   0.000000084   0.000032574
 O     -1.446135     -0.000203      1.566413    0.00  -0.004251329   0.000000191   0.000456273
 O     -3.007262      0.000152     -0.367643    0.00   0.000361177   0.000000652  -0.003365582
 H     -0.779165     -2.284106     -0.086512    0.00   0.000028024   0.000034424   0.000247721
 H     -0.779015      2.284181     -0.085784    0.00   0.000028015  -0.000034502   0.000247673
19
 Energy =     -0.0885719179485
 C      0.686561     -0.713079     -0.450171    0.00   0.000204044  -0.000002990   0.001663541
 C      0.686608      0.713178     -0.449955    0.00   0.000203992   0.000002289   0.001663569
 C      1.836795      1.414502     -0.109897    0.00   0.000691472  -0.000051335   0.000004031
 C      2.978481      0.697251      0.282313    0.00   0.001445535   0.000008670  -0.002200838
 C      2.978431     -0.697527      0.282113    0.00   0.001445697  -0.000008014  -0.002201092
 C      1.836696     -1.414583     -0.110310    0.00   0.000691726   0.000051254   0.000003712
 C     -0.677073     -1.307680     -0.603744    0.00   0.000273483  -0.000249093   0.001960536
 C     -0.676989      1.307915     -0.603330    0.00   0.000273497   0.000248281   0.001960386
 H      1.844102      2.502521     -0.106580    0.00   0.000055299  -0.000004442   0.000008389
 H      3.866723      1.240766      0.602867    0.00   0.000156275  -0.000006089  -0.000341496
 H      3.866632     -1.241198      0.602515    0.00   0.000156297   0.000006200  -0.000341539
 H      1.843926     -2.502604     -0.107312    0.00   0.000055340   0.000004433   0.000008341
 H     -0.943378     -1.509676     -1.656985    0.00   0.000072692  -0.000136135   0.000186147
 H     -0.943288      1.510268     -1.656504    0.00   0.000072707   0.000136035   0.000186161
 S     -1.652436      0.000031      0.136102    0.00  -0.001901019   0.000000098  -0.000048752
 O     -1.430422     -0.000204      1.564626    0.00  -0.004255659   0.000000202   0.000443874
 O     -3.008363      0.000150     -0.354963    0.00   0.000303674   0.000000721  -0.003470356
 H     -0.780794     -2.285635     -0.101568    0.00   0.000027478   0.000034873   0.000257719
 H     -0.780644      2.285715     -0.100838    0.00   0.000027470  -0.000034957   0.000257667
19
 Energy =     -0.0880222343582
 C      0.685740     -0.713113     -0.458334    0.00   0.000180080  -0.000005902   0.001758575
 C      0.685788      0.713216     -0.458118    0.00   0.000180017   0.000005118   0.001758601
 C      1.833534      1.414634     -0.109983    0.00   0.000693958  -0.000052206   0.000044000
 C      2.971335      0.697280      0.293027    0.00   0.001514972   0.000007735  -0.002283864
 C      2.971284     -0.697559      0.292829    0.00   0.001515164  -0.000007027  -0.002284140
 C      1.833433     -1.414715     -0.110395    0.00   0.000694267   0.000052102   0.000043651
 C     -0.678404     -1.306426     -0.613307    0.00   0.000266100  -0.000289162   0.002029627
 C     -0.678321      1.306665     -0.612892    0.00   0.000266120   0.000288291   0.002029485
 H      1.840999      2.502642     -0.107204    0.00   0.000054761  -0.000004558   0.000014049
 H      3.856415      1.240718      0.622357    0.00   0.000165730  -0.000006499  -0.000357034
 H      3.856322     -1.241157      0.622009    0.00   0.000165758   0.000006618  -0.000357082
 H      1.840820     -2.502724     -0.107933    0.00   0.000054812   0.000004546   0.000013997
 H     -0.947511     -1.501434     -1.667059    0.00   0.000077461  -0.000148850   0.000193560
 H     -0.947422      1.502031     -1.666578    0.00   0.000077478   0.000148746   0.000193579
 S     -1.648982      0.000030      0.136299    0.00  -0.001990443   0.000000113  -0.000161586
 O     -1.415212     -0.000205      1.562985    0.00  -0.004213197   0.000000222   0.000407947
 O     -3.009225      0.000147     -0.342247    0.00   0.000243121   0.000000805  -0.003586357
 H     -0.782347     -2.287113     -0.116896    0.00   0.000026924   0.000035966   0.000271521
 H     -0.782196      2.287198     -0.116162    0.00   0.000026917  -0.000036057   0.000271470
19
 Energy =      -0.087456139968
 C      0.685083     -0.713134     -0.466736    0.00   0.000143265  -0.000009815   0.001870049
 C      0.685130      0.713241     -0.466520    0.00   0.000143187   0.000008922   0.001870079
 C      1.830382      1.414763     -0.110266    0.00   0.000686470  -0.000052856   0.000091226
 C      2.964076      0.697315      0.303831    0.00   0.001582677   0.000006540  -0.002373756
 C      2.964024     -0.697598      0.303634    0.00   0.001582909  -0.000005769  -0.002374055
 C      1.830280     -1.414843     -0.110676    0.00   0.000686851   0.000052723   0.000090846
 C     -0.679650     -1.304987     -0.622967    0.00   0.000252235  -0.000348766   0.002120731
 C     -0.679566      1.305231     -0.622551    0.00   0.000252268   0.000347822   0.002120618
 H      1.838046      2.502757     -0.108144    0.00   0.000053269  -0.000004661   0.000020489
 H      3.845817      1.240674      0.642149    0.00   0.000175573  -0.000006969  -0.000374098
 H      3.845722     -1.241119      0.641803    0.00   0.000175607   0.000007100  -0.000374150
 H      1.837865     -2.502839     -0.108870    0.00   0.000053332   0.000004646   0.000020432
 H     -0.951774     -1.492560     -1.677221    0.00   0.000082748  -0.000167608   0.000204390
 H     -0.951686      1.493162     -1.676743    0.00   0.000082766   0.000167500   0.000204418
 S     -1.645468      0.000030      0.136718    0.00  -0.002082201   0.000000127  -0.000317769
 O     -1.400699     -0.000205      1.561587    0.00  -0.004104308   0.000000258   0.000338298
 O     -3.009851      0.000144     -0.329471    0.00   0.000180396   0.000000908  -0.003719809
 H     -0.783825     -2.288548     -0.132728    0.00   0.000026480   0.000038006   0.000291054
 H     -0.783674      2.288639     -0.131992    0.00   0.000026476  -0.000038109   0.000291005
19
 Energy =     -0.0868717625839
 C      0.684650     -0.713137     -0.475422    0.00   0.000088154  -0.000015027   0.002003974
 C      0.684698      0.713248     -0.475206    0.00   0.000088056   0.000013986   0.002004011
 C      1.827398      1.414885     -0.110766    0.00   0.000665290  -0.000052860   0.000145287
 C      2.956747      0.697360      0.314715    0.00   0.001645684   0.000004921  -0.002471415
 C      2.956694     -0.697646      0.314520    0.00   0.001645966  -0.000004066  -0.002471733
 C      1.827294     -1.414964     -0.111174    0.00   0.000665768   0.000052689   0.000144879
 C     -0.680777     -1.303277     -0.632810    0.00   0.000229267  -0.000436833   0.002244650
 C     -0.680693      1.303524     -0.632394    0.00   0.000229313   0.000435794   0.002244603
 H      1.835302      2.502865     -0.109413    0.00   0.000050595  -0.000004694   0.000027377
 H      3.834961      1.240635      0.662240    0.00   0.000185750  -0.000007487  -0.000392789
 H      3.834864     -1.241087      0.661897    0.00   0.000185792   0.000007632  -0.000392845
 H      1.835116     -2.502945     -0.110136    0.00   0.000050676   0.000004675   0.000027316
 H     -0.956157     -1.482717     -1.687594    0.00   0.000088681  -0.000195190   0.000220237
 H     -0.956070      1.483325     -1.687117    0.00   0.000088701   0.000195079   0.000220279
 S     -1.641907      0.000030      0.137426    0.00  -0.002174777   0.000000141  -0.000533128
 O     -1.387156     -0.000206      1.560560    0.00  -0.003902512   0.000000321   0.000220938
 O     -3.010251      0.000141     -0.316608    0.00   0.000116989   0.000001040  -0.003879585
 H     -0.785235     -2.289944     -0.149384    0.00   0.000026303   0.000041378   0.000318993
 H     -0.785084      2.290041     -0.148645    0.00   0.000026304  -0.000041499   0.000318951
19
 Energy =     -0.0862656178118
 C      0.684521     -0.713118     -0.484438    0.00   0.000007333  -0.000021871   0.002169081
 C      0.684570      0.713234     -0.484222    0.00   0.000007203   0.000020629   0.002169131
 C      1.824654      1.414996     -0.111491    0.00   0.000625833  -0.000051226   0.000204228
 C      2.949428      0.697414      0.325647    0.00   0.001699165   0.000002707  -0.002577476
 C      2.949373     -0.697704      0.325453    0.00   0.001699509  -0.000001743  -0.002577806
 C      1.824547     -1.415074     -0.111898    0.00   0.000626443   0.000051004   0.000203789
 C     -0.681740     -1.301180     -0.642944    0.00   0.000193699  -0.000565462   0.002415945
 C     -0.681657      1.301433     -0.642528    0.00   0.000193763   0.000564297   0.002416012
 H      1.832832      2.502960     -0.110986    0.00   0.000046560  -0.000004552   0.000033890
 H      3.823919      1.240605      0.682581    0.00   0.000196185  -0.000008015  -0.000413110
 H      3.823820     -1.241064      0.682241    0.00   0.000196237   0.000008179  -0.000413166
 H      1.832642     -2.503040     -0.111705    0.00   0.000046665   0.000004528   0.000033823
 H     -0.960641     -1.471476     -1.698321    0.00   0.000095418  -0.000235269   0.000243104
 H     -0.960555      1.472089     -1.697847    0.00   0.000095440   0.000235160   0.000243174
 S     -1.638323      0.000030      0.138513    0.00  -0.002264576   0.000000148  -0.000828412
 O     -1.374951     -0.000208      1.560073    0.00  -0.003574062   0.000000425   0.000037316
 O     -3.010439      0.000137     -0.303635    0.00   0.000055913   0.000001209  -0.004077295
 H     -0.786590     -2.291297     -0.167266    0.00   0.000026633   0.000046493   0.000358898
 H     -0.786439      2.291401     -0.166526    0.00   0.000026640  -0.000046640   0.000358872
19
 Energy =     -0.0856312636068
 C      0.684798     -0.713072     -0.493819    0.00  -0.000108836  -0.000030714   0.002377786
 C      0.684847      0.713194     -0.493603    0.00  -0.000109016   0.000029197   0.002377868
 C      1.822243      1.415087     -0.112430    0.00   0.000562812  -0.000045913   0.000263386
 C      2.942245      0.697479      0.336545    0.00   0.001735586  -0.000000356  -0.002692071
 C      2.942189     -0.697774      0.336353    0.00   0.001736009   0.000001461  -0.002692387
 C      1.822134     -1.415164     -0.112834    0.00   0.000563605   0.000045622   0.000262913
 C     -0.682485     -1.298560     -0.653479    0.00   0.000141342  -0.000749693   0.002652803
 C     -0.682403      1.298817     -0.653064    0.00   0.000141422   0.000748367   0.002653064
 H      1.830705      2.503034     -0.112771    0.00   0.000041144  -0.000004047   0.000038436
 H      3.812836      1.240590      0.703028    0.00   0.000206672  -0.000008505  -0.000434850
 H      3.812734     -1.241057      0.702690    0.00   0.000206737   0.000008692  -0.000434901
 H      1.830509     -2.503112     -0.113486    0.00   0.000041282   0.000004017   0.000038364
 H     -0.965183     -1.458331     -1.709549    0.00   0.000103151  -0.000292419   0.000275026
 H     -0.965098      1.458949     -1.709079    0.00   0.000103176   0.000292314   0.000275139
 S     -1.634763      0.000030      0.140078    0.00  -0.002343046   0.000000146  -0.001229457
 O     -1.364553     -0.000209      1.560331    0.00  -0.003080408   0.000000590  -0.000235386
 O     -3.010449      0.000133     -0.290557    0.00   0.000002899   0.000001428  -0.004326228
 H     -0.787904     -2.292586     -0.186834    0.00   0.000027726   0.000053465   0.000415247
 H     -0.787754      2.292698     -0.186094    0.00   0.000027743  -0.000053653   0.000415248
19
 Energy =     -0.0849573373854
 C      0.685591     -0.712995     -0.503571    0.00  -0.000271675  -0.000041954   0.002646826
 C      0.685641      0.713123     -0.503356    0.00  -0.000271941   0.000040067   0.002646962
 C      1.820270      1.415140     -0.113531    0.00   0.000471061  -0.000033334   0.000314193
 C      2.935395      0.697555      0.347265    0.00   0.001743856  -0.000004544  -0.002814548
 C      2.935337     -0.697855      0.347073    0.00   0.001744379   0.000005824  -0.002814809
 C      1.820158     -1.415216     -0.113934    0.00   0.000472107   0.000032948   0.000313680
 C     -0.682949     -1.295273     -0.664498    0.00   0.000067711  -0.001005706   0.002975206
 C     -0.682867      1.295536     -0.664084    0.00   0.000067788   0.001004167   0.002975769
 H      1.828975      2.503071     -0.114570    0.00   0.000034688  -0.000002925   0.000038326
 H      3.801949      1.240599      0.723300    0.00   0.000216680  -0.000008950  -0.000457555
 H      3.801843     -1.241075      0.722965    0.00   0.000216763   0.000009166  -0.000457592
 H      1.828771     -2.503147     -0.115282    0.00   0.000034870   0.000002890   0.000038248
 H     -0.969718     -1.442791     -1.721378    0.00   0.000112008  -0.000371606   0.000317150
 H     -0.969634      1.443413     -1.720914    0.00   0.000112036   0.000371513   0.000317325
 S     -1.631312      0.000029      0.142224    0.00  -0.002391763   0.000000129  -0.001766505
 O     -1.356489     -0.000211      1.561550    0.00  -0.002386751   0.000000842  -0.000621534
 O     -3.010338      0.000129     -0.277437    0.00  -0.000031292   0.000001713  -0.004637388
 H     -0.789193     -2.293761     -0.208509    0.00   0.000029723   0.000061484   0.000493100
 H     -0.789044      2.293883     -0.207771    0.00   0.000029752  -0.000061727   0.000493146
19
 Energy =     -0.0842256055435
 C      0.686997     -0.712882     -0.513658    0.00  -0.000492512  -0.000056177   0.002996405
 C      0.687048      0.713018     -0.513443    0.00  -0.000492931   0.000053812   0.002996641
 C      1.818831      1.415128     -0.114697    0.00   0.000347061  -0.000008328   0.000343786
 C      2.929129      0.697642      0.357593    0.00   0.001709735  -0.000010107  -0.002943462
 C      2.929069     -0.697946      0.357402    0.00   0.001710374   0.000011592  -0.002943597
 C      1.818714     -1.415203     -0.115098    0.00   0.000348451   0.000007817   0.000343218
 C     -0.683075     -1.291215     -0.676008    0.00  -0.000031894  -0.001346001   0.003400760
 C     -0.682993      1.291485     -0.675597    0.00  -0.000031861   0.001344184   0.003401769
 H      1.827651      2.503047     -0.116064    0.00   0.000028098  -0.000000933   0.000029772
 H      3.791592      1.240646      0.742973    0.00   0.000225043  -0.000009466  -0.000480565
 H      3.791482     -1.241131      0.742639    0.00   0.000225143   0.000009718  -0.000480570
 H      1.827438     -2.503122     -0.116772    0.00   0.000028341   0.000000894   0.000029685
 H     -0.974158     -1.424537     -1.733791    0.00   0.000121869  -0.000476930   0.000368703
 H     -0.974075      1.425162     -1.733335    0.00   0.000121895   0.000476857   0.000368960
 S     -1.628101      0.000029      0.145026    0.00  -0.002375069   0.000000104  -0.002472661
 O     -1.351208     -0.000214      1.563901    0.00  -0.001478247   0.000001202  -0.001141373
 O     -3.010199      0.000124     -0.264432    0.00  -0.000028118   0.000002077  -0.005011878
 H     -0.790455     -2.294737     -0.232521    0.00   0.000032290   0.000068337   0.000597147
 H     -0.790308      2.294870     -0.231787    0.00   0.000032334  -0.000068652   0.000597258
19
 Energy =     -0.0834104709962
 C      0.689067     -0.712732     -0.524000    0.00  -0.000780300  -0.000074408   0.003446631
 C      0.689120      0.712876     -0.523787    0.00  -0.000780951   0.000071456   0.003447067
 C      1.817978      1.415018     -0.115790    0.00   0.000190677   0.000034897   0.000336576
 C      2.923701      0.697737      0.367295    0.00   0.001619124  -0.000017154  -0.003076995
 C      2.923639     -0.698046      0.367104    0.00   0.001619908   0.000018850  -0.003076909
 C      1.817856     -1.415090     -0.116189    0.00   0.000192521  -0.000035569   0.000335963
 C     -0.682823     -1.286370     -0.687921    0.00  -0.000165360  -0.001770248   0.003941431
 C     -0.682741      1.286646     -0.687514    0.00  -0.000165476   0.001768068   0.003943070
 H      1.826678      2.502933     -0.116860    0.00   0.000022860   0.000002134   0.000008664
 H      3.782132      1.240744      0.761557    0.00   0.000229946  -0.000010254  -0.000502925
 H      3.782018     -1.241240      0.761222    0.00   0.000230064   0.000010549  -0.000502877
 H      1.826454     -2.503006     -0.117565    0.00   0.000023173  -0.000002180   0.000008568
 H     -0.978408     -1.403586     -1.746623    0.00   0.000132123  -0.000609667   0.000427069
 H     -0.978326      1.404212     -1.746178    0.00   0.000132139   0.000609615   0.000427429
 S     -1.625300      0.000029      0.148515    0.00  -0.002231835   0.000000111  -0.003386043
 O     -1.348897     -0.000217      1.567449    0.00  -0.000377626   0.000001681  -0.001805788
 O     -3.010166      0.000118     -0.251789    0.00   0.000041422   0.000002517  -0.005431794
 H     -0.791649     -2.295412     -0.258779    0.00   0.000033772   0.000071212   0.000730332
 H     -0.791504      2.295557     -0.258053    0.00   0.000033820  -0.000071609   0.000730531
19
 Energy =     -0.0824810768825
 C      0.691791     -0.712542     -0.534510    0.00  -0.001139028  -0.000098787   0.004012386
 C      0.691845      0.712695     -0.534299    0.00  -0.001140039   0.000095142   0.004013161
 C      1.817703      1.414776     -0.116665    0.00   0.000005781   0.000101079   0.000276620
 C      2.919286      0.697840      0.376194    0.00   0.001464882  -0.000026544  -0.003213023
 C      2.919221     -0.698154      0.376003    0.00   0.001465841   0.000028435  -0.003212606
 C      1.817574     -1.414846     -0.117062    0.00   0.000008194  -0.000101948   0.000275976
 C     -0.682160     -1.280853     -0.700097    0.00  -0.000354693  -0.002248621   0.004608900
 C     -0.682077      1.281136     -0.699695    0.00  -0.000355159   0.002245922   0.004611412
 H      1.825939      2.502700     -0.116606    0.00   0.000020556   0.000006578  -0.000027657
 H      3.773866      1.240902      0.778636    0.00   0.000229293  -0.000011392  -0.000522887
 H      3.773748     -1.241409      0.778298    0.00   0.000229426   0.000011735  -0.000522764
 H      1.825704     -2.502772     -0.117308    0.00   0.000020950  -0.000006633  -0.000027758
 H     -0.982374     -1.380339     -1.759616    0.00   0.000141040  -0.000766443   0.000489636
 H     -0.982291      1.380966     -1.759182    0.00   0.000141026   0.000766405   0.000490112
 S     -1.623096      0.000029      0.152677    0.00  -0.001863896   0.000000252  -0.004559129
 O     -1.349349     -0.000222      1.572135    0.00   0.000848499   0.000002276  -0.002624145
 O     -3.010396      0.000112     -0.239792    0.00   0.000218521   0.000003029  -0.005855643
 H     -0.792650     -2.295727     -0.286905    0.00   0.000029385   0.000069276   0.000893552
 H     -0.792506      2.295886     -0.286188    0.00   0.000029421  -0.000069760   0.000893856
19
 Energy =     -0.0814048165043
 C      0.695099     -0.712308     -0.545117    0.00  -0.001565113  -0.000132642   0.004697111
 C      0.695157      0.712471     -0.544908    0.00  -0.001566646   0.000128227   0.004698398
 C      1.817935      1.414383     -0.117201    0.00  -0.000199535   0.000192324   0.000149464
 C      2.915923      0.697955      0.384216    0.00   0.001253712  -0.000040590  -0.003348027
 C      2.915856     -0.698274      0.384023    0.00   0.001254859   0.000042633  -0.003347181
 C      1.817800     -1.414451     -0.117597    0.00  -0.000196479  -0.000193426   0.000148831
 C     -0.681009     -1.274946     -0.712439    0.00  -0.000655941  -0.002694291   0.005434956
 C     -0.680924      1.275236     -0.712046    0.00  -0.000657128   0.002690774   0.005438668
 H      1.825301      2.502326     -0.115122    0.00   0.000022153   0.000012909  -0.000078389
 H      3.766952      1.241112      0.793946    0.00   0.000221121  -0.000012540  -0.000537096
 H      3.766830     -1.241629      0.793604    0.00   0.000221264   0.000012930  -0.000536879
 H      1.825053     -2.502396     -0.115821    0.00   0.000022630  -0.000012972  -0.000078484
 H     -0.985944     -1.355491     -1.772532    0.00   0.000144738  -0.000937732   0.000555951
 H     -0.985859      1.356118     -1.772113    0.00   0.000144667   0.000937672   0.000556555
 S     -1.621683      0.000028      0.157499    0.00  -0.001120048   0.000000764  -0.006083964
 O     -1.352030     -0.000226      1.577841    0.00   0.002099741   0.000002965  -0.003624650
 O     -3.011062      0.000106     -0.228694    0.00   0.000559506   0.000003574  -0.006220085
 H     -0.793174     -2.295755     -0.316421    0.00   0.000008255   0.000066723   0.001087200
 H     -0.793031      2.295929     -0.315715    0.00   0.000008244  -0.000067300   0.001087622
19
 Energy =     -0.0801489341134
 C      0.698883     -0.712024     -0.555753    0.00  -0.002043101  -0.000179056   0.005486147
 C      0.698945      0.712197     -0.555547    0.00  -0.002045294   0.000173841   0.005488123
 C      1.818569      1.413836     -0.117318    0.00  -0.000412626   0.000306993  -0.000057329
 C      2.913524      0.698089      0.391365    0.00   0.001009533  -0.000063566  -0.003474241
 C      2.913454     -0.698412      0.391170    0.00   0.001010861   0.000065691  -0.003472918
 C      1.818427     -1.413902     -0.117712    0.00  -0.000408929  -0.000308324  -0.000057873
 C     -0.679185     -1.269128     -0.724981    0.00  -0.001180224  -0.002931134   0.006497106
 C     -0.679096      1.269427     -0.724597    0.00  -0.001182710   0.002926235   0.006502465
 H      1.824661      2.501801     -0.112461    0.00   0.000027401   0.000021673  -0.000138115
 H      3.761426      1.241346      0.807340    0.00   0.000203762  -0.000012751  -0.000540374
 H      3.761301     -1.241874      0.806991    0.00   0.000203912   0.000013181  -0.000540059
 H      1.824400     -2.501869     -0.113157    0.00   0.000027946  -0.000021748  -0.000138188
 H     -0.988949     -1.329943     -1.785249    0.00   0.000136976  -0.001106820   0.000628584
 H     -0.988861      1.330572     -1.784846    0.00   0.000136802   0.001106669   0.000629334
 S     -1.621271      0.000027      0.163017    0.00   0.000221958   0.000001989  -0.008120754
 O     -1.356240     -0.000232      1.584484    0.00   0.003256960   0.000003718  -0.004872259
 O     -3.012342      0.000100     -0.218707    0.00   0.001134729   0.000004100  -0.006445447
 H     -0.792707     -2.295779     -0.346909    0.00  -0.000048920   0.000074821   0.001312631
 H     -0.792562      2.295968     -0.346216    0.00  -0.000049037  -0.000075511   0.001313168
19
 Energy =     -0.0786763742962
 C      0.702985     -0.711687     -0.566294    0.00  -0.002539441  -0.000237926   0.006338780
 C      0.703052      0.711871     -0.566093    0.00  -0.002542374   0.000231964   0.006341524
 C      1.819481      1.413154     -0.116974    0.00  -0.000617041   0.000438185  -0.000351961
 C      2.911917      0.698255      0.397668    0.00   0.000771837  -0.000102060  -0.003576455
 C      2.911844     -0.698582      0.397470    0.00   0.000773292   0.000104176  -0.003574685
 C      1.819332     -1.413217     -0.117367    0.00  -0.000612820  -0.000439688  -0.000352317
 C     -0.676372     -1.264116     -0.737879    0.00  -0.002095411  -0.002686233   0.007923834
 C     -0.676277      1.264427     -0.737506    0.00  -0.002099973   0.002679083   0.007931329
 H      1.823974      2.501134     -0.108906    0.00   0.000034755   0.000032880  -0.000197383
 H      3.757253      1.241557      0.818697    0.00   0.000176293  -0.000010603  -0.000527001
 H      3.757125     -1.242095      0.818341    0.00   0.000176441   0.000011053  -0.000526601
 H      1.823701     -2.501200     -0.109602    0.00   0.000035336  -0.000032965  -0.000197418
 H     -0.991184     -1.304806     -1.797741    0.00   0.000112171  -0.001251000   0.000711617
 H     -0.991091      1.305440     -1.797354    0.00   0.000111856   0.001250669   0.000712531
 S     -1.622096      0.000025      0.169319    0.00   0.002444345   0.000004289  -0.010899376
 O     -1.361253     -0.000237      1.592028    0.00   0.004195673   0.000004486  -0.006450453
 O     -3.014396      0.000094     -0.210028    0.00   0.002009233   0.000004536  -0.006446401
 H     -0.790520     -2.296312     -0.377967    0.00  -0.000166937   0.000111573   0.001569894
 H     -0.790371      2.296517     -0.377287    0.00  -0.000167235  -0.000112420   0.001570543
19
 Energy =     -0.0769339908863
 C      0.707180     -0.711306     -0.576496    0.00  -0.002997955  -0.000304116   0.007183919
 C      0.707251      0.711499     -0.576299    0.00  -0.003001583   0.000297573   0.007187339
 C      1.820544      1.412378     -0.116176    0.00  -0.000796903   0.000571913  -0.000731808
 C      2.910884      0.698469      0.403118    0.00   0.000587180  -0.000165430  -0.003632364
 C      2.910810     -0.698800      0.402917    0.00   0.000588667   0.000167446  -0.003630248
 C      1.820388     -1.412439     -0.116569    0.00  -0.000792392  -0.000573481  -0.000731901
 C     -0.672200     -1.260785     -0.751295    0.00  -0.003576719  -0.001664347   0.009842968
 C     -0.672097      1.261109     -0.750936    0.00  -0.003584125   0.001653962   0.009852939
 H      1.823259      2.500364     -0.104918    0.00   0.000041990   0.000045281  -0.000245432
 H      3.754346      1.241687      0.827906    0.00   0.000139616  -0.000004649  -0.000493594
 H      3.754215     -1.242232      0.827542    0.00   0.000139752   0.000005092  -0.000493137
 H      1.822976     -2.500429     -0.105614    0.00   0.000042566  -0.000045373  -0.000245424
 H     -0.992516     -1.281366     -1.809956    0.00   0.000072786  -0.001348684   0.000806319
 H     -0.992415      1.282007     -1.809586    0.00   0.000072310   0.001348107   0.000807408
 S     -1.624361      0.000022      0.176483    0.00   0.005788946   0.000007772  -0.014637483
 O     -1.366383     -0.000243      1.600393    0.00   0.004808409   0.000005200  -0.008384203
 O     -3.017298      0.000089     -0.202847    0.00   0.003194414   0.000004804  -0.006157497
 H     -0.785903     -2.297994     -0.408974    0.00  -0.000363204   0.000196826   0.001850724
 H     -0.785747      2.298217     -0.408307    0.00  -0.000363755  -0.000197897   0.001851477
19
 Energy =     -0.0748421865206
 C      0.711188     -0.710901     -0.586012    0.00  -0.003348459  -0.000370003   0.007934997
 C      0.711264      0.711103     -0.585819    0.00  -0.003352593   0.000363136   0.007938825
 C      1.821638      1.411575     -0.114990    0.00  -0.000944988   0.000688359  -0.001176860
 C      2.910205      0.698747      0.407690    0.00   0.000491913  -0.000264846  -0.003620949
 C      2.910129     -0.699080      0.407487    0.00   0.000493317   0.000266682  -0.003618626
 C      1.821476     -1.411634     -0.115383    0.00  -0.000940477  -0.000689862  -0.001176663
 C     -0.666451     -1.259851     -0.765219    0.00  -0.005695501   0.000272656   0.012269722
 C     -0.666336      1.260190     -0.764874    0.00  -0.005706182  -0.000286926   0.012282065
 H      1.822572      2.499559     -0.101004    0.00   0.000047245   0.000056394  -0.000274696
 H      3.752543      1.241685      0.834952    0.00   0.000097218   0.000005827  -0.000441946
 H      3.752411     -1.242237      0.834581    0.00   0.000097331  -0.000005418  -0.000441466
 H      1.822280     -2.499622     -0.101700    0.00   0.000047779  -0.000056488  -0.000274643
 H     -0.993058     -1.260777     -1.821694    0.00   0.000035437  -0.001392031   0.000905921
 H     -0.992949      1.261428     -1.821342    0.00   0.000034838   0.001391202   0.000907160
 S     -1.628101      0.000017      0.184456    0.00   0.010260439   0.000012035  -0.019357879
 O     -1.371065     -0.000248      1.609311    0.00   0.005044728   0.000005777  -0.010552351
 O     -3.020948      0.000084     -0.197275    0.00   0.004600252   0.000004859  -0.005571848
 H     -0.778598     -2.301307     -0.438976    0.00  -0.000630724   0.000340975   0.002134194
 H     -0.778431      2.301548     -0.438321    0.00  -0.000631575  -0.000342329   0.002135043
19
 Energy =     -0.0723066346047
 C      0.714773     -0.710500     -0.594568    0.00  -0.003533590  -0.000429962   0.008527570
 C      0.714853      0.710708     -0.594379    0.00  -0.003537947   0.000423052   0.008531481
 C      1.822683      1.410811     -0.113528    0.00  -0.001067876   0.000769244  -0.001655062
 C      2.909694      0.699102      0.411413    0.00   0.000496027  -0.000410384  -0.003534226
 C      2.909616     -0.699436      0.411207    0.00   0.000497263   0.000411992  -0.003531832
 C      1.822517     -1.410868     -0.113922    0.00  -0.001063620  -0.000770584  -0.001654601
 C     -0.659209     -1.261501     -0.779431    0.00  -0.008343323   0.002977157   0.015045654
 C     -0.659081      1.261857     -0.779100    0.00  -0.008357136  -0.002995257   0.015059725
 H      1.821960      2.498792     -0.097532    0.00   0.000049709   0.000063868  -0.000284042
 H      3.751600      1.241534      0.840053    0.00   0.000053796   0.000020328  -0.000378586
 H      3.751466     -1.242090      0.839676    0.00   0.000053880  -0.000019970  -0.000378107
 H      1.821662     -2.498854     -0.098229    0.00   0.000050180  -0.000063959  -0.000283954
 H     -0.993208     -1.243532     -1.832645    0.00   0.000025273  -0.001393142   0.000994624
 H     -0.993091      1.244195     -1.832308    0.00   0.000024635   0.001392121   0.000995947
 S     -1.633103      0.000012      0.193028    0.00   0.015532627   0.000016284  -0.024777431
 O     -1.374976     -0.000252      1.618372    0.00   0.004936589   0.000006159  -0.012715371
 O     -3.025089      0.000081     -0.193229    0.00   0.006060200   0.000004707  -0.004753458
 H     -0.769003     -2.306313     -0.467058    0.00  -0.000937767   0.000535026   0.002395365
 H     -0.768824      2.306573     -0.466414    0.00  -0.000938922  -0.000536680   0.002396304
19
 Energy =     -0.0692511780223
 C      0.717820     -0.710118     -0.602103    0.00  -0.003526949  -0.000480380   0.008942375
 C      0.717905      0.710332     -0.601917    0.00  -0.003531247   0.000473643   0.008946103
 C      1.823652      1.410128     -0.111899    0.00  -0.001181501   0.000804325  -0.002137714
 C      2.909230      0.699542      0.414396    0.00   0.000585493  -0.000608490  -0.003378853
 C      2.909152     -0.699878      0.414188    0.00   0.000586522   0.000609845  -0.003376465
 C      1.823483     -1.410184     -0.112293    0.00  -0.001177650  -0.000805445  -0.002137047
 C     -0.650761     -1.265409     -0.793680    0.00  -0.011300156   0.006116206   0.017924045
 C     -0.650621      1.265782     -0.793361    0.00  -0.011316475  -0.006137450   0.017938878
 H      1.821444      2.498112     -0.094640    0.00   0.000049305   0.000066566  -0.000277369
 H      3.751257      1.241246      0.843607    0.00   0.000012792   0.000037525  -0.000310895
 H      3.751123     -1.241806      0.843225    0.00   0.000012844  -0.000037224  -0.000310436
 H      1.821142     -2.498174     -0.095337    0.00   0.000049708  -0.000066655  -0.000277254
 H     -0.993467     -1.229337     -1.842556    0.00   0.000062731  -0.001374646   0.001053611
 H     -0.993344      1.230010     -1.842233    0.00   0.000062158   0.001373529   0.001054927
 S     -1.639026      0.000006      0.201948    0.00   0.021121888   0.000019835  -0.030443457
 O     -1.378064     -0.000257      1.627225    0.00   0.004568812   0.000006336  -0.014649931
 O     -3.029445      0.000078     -0.190451    0.00   0.007418811   0.000004399  -0.003797643
 H     -0.757855     -2.312726     -0.492816    0.00  -0.001247828   0.000756284   0.002618054
 H     -0.757663      2.313005     -0.492182    0.00  -0.001249259  -0.000758205   0.002619071
19
 Energy =     -0.0656412924699
 C      0.720320     -0.709762     -0.608721    0.00  -0.003325487  -0.000515912   0.009192868
 C      0.720407      0.709981     -0.608538    0.00  -0.003329503   0.000509479   0.009196240
 C      1.824559      1.409543     -0.110171    0.00  -0.001302785   0.000790466  -0.002607138
 C      2.908750      0.700079      0.416785    0.00   0.000737126  -0.000861717  -0.003168163
 C      2.908671     -0.700416      0.416575    0.00   0.000737950   0.000862822  -0.003165816
 C      1.824387     -1.409599     -0.110565    0.00  -0.001299401  -0.000791352  -0.002606330
 C     -0.641406     -1.271058     -0.807807    0.00  -0.014351964   0.009358189   0.020686369
 C     -0.641253      1.271447     -0.807499    0.00  -0.014369968  -0.009381588   0.020700988
 H      1.821025      2.497540     -0.092299    0.00   0.000046046   0.000064336  -0.000259945
 H      3.751309      1.240848      0.846026    0.00  -0.000024357   0.000055967  -0.000244230
 H      3.751174     -1.241410      0.845641    0.00  -0.000024335  -0.000055722  -0.000243793
 H      1.820720     -2.497600     -0.092998    0.00   0.000046386  -0.000064418  -0.000259808
 H     -0.994255     -1.217501     -1.851290    0.00   0.000157466  -0.001356735   0.001067537
 H     -0.994127      1.218184     -1.850977    0.00   0.000157049   0.001355618   0.001068752
 S     -1.645563      0.000000      0.211035    0.00   0.026606604   0.000022380  -0.035939058
 O     -1.380425     -0.000260      1.635682    0.00   0.004029539   0.000006330  -0.016226210
 O     -3.033825      0.000075     -0.188643    0.00   0.008581193   0.000003989  -0.002787083
 H     -0.745814     -2.320169     -0.516343    0.00  -0.001534947   0.000981821   0.002796870
 H     -0.745608      2.320466     -0.515718    0.00  -0.001536611  -0.000983951   0.002797952
19
 Energy =     -0.0614847965543
 C      0.722299     -0.709438     -0.614582    0.00  -0.002935059  -0.000526614   0.009303695
 C      0.722389      0.709661     -0.614401    0.00  -0.002938629   0.000520543   0.009306627
 C      1.825431      1.409061     -0.108378    0.00  -0.001445230   0.000727906  -0.003054169
 C      2.908223      0.700724      0.418713    0.00   0.000928776  -0.001169432  -0.002915587
 C      2.908144     -0.701061      0.418501    0.00   0.000929429   0.001170287  -0.002913279
 C      1.825257     -1.409116     -0.108774    0.00  -0.001442299  -0.000728546  -0.003053270
 C     -0.631361     -1.277981     -0.821747    0.00  -0.017340596   0.012457636   0.023182089
 C     -0.631196      1.278385     -0.821448    0.00  -0.017359463  -0.012482170   0.023195678
 H      1.820698      2.497080     -0.090423    0.00   0.000039770   0.000057374  -0.000236262
 H      3.751618      1.240362      0.847636    0.00  -0.000057448   0.000074421  -0.000181681
 H      3.751483     -1.240926      0.847247    0.00  -0.000057461  -0.000074224  -0.000181267
 H      1.820390     -2.497140     -0.091123    0.00   0.000040056  -0.000057458  -0.000236108
 H     -0.995866     -1.207321     -1.858775    0.00   0.000310262  -0.001352097   0.001026287
 H     -0.995736      1.208012     -1.858470    0.00   0.000310068   0.001351051   0.001027322
 S     -1.652503     -0.000005      0.220183    0.00   0.031697561   0.000023896  -0.040962617
 O     -1.382192     -0.000263      1.643679    0.00   0.003387281   0.000006178  -0.017393842
 O     -3.038125      0.000074     -0.187556    0.00   0.009504177   0.000003522  -0.001779253
 H     -0.733324     -2.328329     -0.537950    0.00  -0.001784672   0.001194848   0.002932255
 H     -0.733105      2.328642     -0.537334    0.00  -0.001786522  -0.001197121   0.002933382
19
 Energy =     -0.0568215228405
 C      0.723788     -0.709155     -0.619835    0.00  -0.002363468  -0.000496874   0.009298602
 C      0.723879      0.709381     -0.619656    0.00  -0.002366510   0.000491168   0.009301055
 C      1.826298      1.408680     -0.106536    0.00  -0.001617744   0.000618117  -0.003473108
 C      2.907639      0.701486      0.420278    0.00   0.001141940  -0.001527862  -0.002632608
 C      2.907559     -0.701824      0.420065    0.00   0.001142435   0.001528491  -0.002630323
 C      1.826122     -1.408735     -0.106931    0.00  -0.001615225  -0.000618546  -0.003472177
 C     -0.620764     -1.285818     -0.835482    0.00  -0.020158375   0.015252655   0.025316964
 C     -0.620588      1.286237     -0.835191    0.00  -0.020177400  -0.015277416   0.025328928
 H      1.820460      2.496733     -0.088923    0.00   0.000030185   0.000045990  -0.000209661
 H      3.752104      1.239808      0.848668    0.00  -0.000086726   0.000091867  -0.000124882
 H      3.751969     -1.240373      0.848276    0.00  -0.000086761  -0.000091715  -0.000124483
 H      1.820150     -2.496792     -0.089624    0.00   0.000030428  -0.000046067  -0.000209495
 H     -0.998499     -1.198223     -1.864949    0.00   0.000516149  -0.001366495   0.000924102
 H     -0.998369      1.198921     -1.864651    0.00   0.000516218   0.001365568   0.000924890
 S     -1.659708     -0.000011      0.229331    0.00   0.036212270   0.000024541  -0.045313963
 O     -1.383480     -0.000266      1.651212    0.00   0.002690768   0.000005903  -0.018145416
 O     -3.042296      0.000072     -0.187008    0.00   0.010173054   0.000003024  -0.000812001
 H     -0.720660     -2.336976     -0.557975    0.00  -0.001989625   0.001384367   0.003026205
 H     -0.720428      2.337304     -0.557367    0.00  -0.001991615  -0.001386717   0.003027370
19
 Energy =     -0.0517129586881
 C      0.724804     -0.708928     -0.624602    0.00  -0.001619673  -0.000405685   0.009196401
 C      0.724897      0.709157     -0.624424    0.00  -0.001622136   0.000400326   0.009198393
 C      1.827188      1.408401     -0.104646    0.00  -0.001824719   0.000463559  -0.003858297
 C      2.906994      0.702379      0.421555    0.00   0.001361100  -0.001929687  -0.002328856
 C      2.906914     -0.702717      0.421341    0.00   0.001361498   0.001930096  -0.002326558
 C      1.827011     -1.408455     -0.105042    0.00  -0.001822539  -0.000463769  -0.003857354
 C     -0.609700     -1.294309     -0.849015    0.00  -0.022728481   0.017638477   0.027031711
 C     -0.609515      1.294740     -0.848729    0.00  -0.022747063  -0.017662713   0.027041681
 H      1.820312      2.496499     -0.087719    0.00   0.000017025   0.000030517  -0.000182593
 H      3.752716      1.239200      0.849281    0.00  -0.000112411   0.000107411  -0.000074719
 H      3.752581     -1.239766      0.848886    0.00  -0.000112480  -0.000107290  -0.000074333
 H      1.820000     -2.496558     -0.088421    0.00   0.000017233  -0.000030602  -0.000182413
 H     -1.002292     -1.189777     -1.869737    0.00   0.000766110  -0.001400463   0.000758689
 H     -1.002163      1.190480     -1.869441    0.00   0.000766452   0.001399685   0.000759193
 S     -1.667093     -0.000015      0.238447    0.00   0.040033101   0.000024458  -0.048859493
 O     -1.384382     -0.000268      1.658300    0.00   0.001975088   0.000005534  -0.018491863
 O     -3.046313      0.000071     -0.186869    0.00   0.010585697   0.000002520   0.000088670
 H     -0.707988     -2.345948     -0.576708    0.00  -0.002145855   0.001543104   0.003080280
 H     -0.707743      2.346292     -0.576107    0.00  -0.002147946  -0.001545479   0.003081461
19
 Energy =     -0.0462352680698
 C      0.725353     -0.708782     -0.628978    0.00  -0.000716217  -0.000227374   0.009010079
 C      0.725447      0.709013     -0.628801    0.00  -0.000718129   0.000222313   0.009011632
 C      1.828126      1.408225     -0.102707    0.00  -0.002065570   0.000268250  -0.004201779
 C      2.906288      0.703414      0.422597    0.00   0.001572374  -0.002362963  -0.002012875
 C      2.906208     -0.703752      0.422382    0.00   0.001572676   0.002363188  -0.002010538
 C      1.827948     -1.408280     -0.103103    0.00  -0.002063660  -0.000268294  -0.004200872
 C     -0.598219     -1.303257     -0.862352    0.00  -0.024987110   0.019543792   0.028285008
 C     -0.598025      1.303699     -0.862070    0.00  -0.025004800  -0.019566900   0.028292798
 H      1.820259      2.496380     -0.086748    0.00   0.000000187   0.000011389  -0.000156858
 H      3.753422      1.238552      0.849584    0.00  -0.000134528   0.000120222  -0.000031711
 H      3.753288     -1.239119      0.849188    0.00  -0.000134611  -0.000120134  -0.000031322
 H      1.819947     -2.496438     -0.087451    0.00   0.000000369  -0.000011462  -0.000156666
 H     -1.007338     -1.181665     -1.873039    0.00   0.001047533  -0.001450430   0.000531134
 H     -1.007211      1.182372     -1.872745    0.00   0.001048133   0.001449797   0.000531319
 S     -1.674599     -0.000020      0.247507    0.00   0.043075220   0.000023856  -0.051503315
 O     -1.384966     -0.000270      1.664965    0.00   0.001267201   0.000005081  -0.018450329
 O     -3.050161      0.000070     -0.187050    0.00   0.010744548   0.000002016   0.000903176
 H     -0.695421     -2.355127     -0.594377    0.00  -0.002250733   0.001666026   0.003094963
 H     -0.695164      2.355484     -0.593783    0.00  -0.002252883  -0.001668372   0.003096157
19
 Energy =      -0.040475659911
 C      0.725425     -0.708752     -0.633039    0.00   0.000326115   0.000065968   0.008746484
 C      0.725520      0.708986     -0.632862    0.00   0.000324723  -0.000070775   0.008747668
 C      1.829138      1.408156     -0.100717    0.00  -0.002333946   0.000039006  -0.004491862
 C      2.905525      0.704601      0.423442    0.00   0.001762495  -0.002809603  -0.001692714
 C      2.905444     -0.704939      0.423226    0.00   0.001762764   0.002809644  -0.001690299
 C      1.828959     -1.408211     -0.101114    0.00  -0.002332226  -0.000038866  -0.004490989
 C     -0.586352     -1.312515     -0.875498    0.00  -0.026868797   0.020914914   0.029041644
 C     -0.586150      1.312967     -0.875219    0.00  -0.026885205  -0.020936424   0.029047224
 H      1.820310      2.496379     -0.085958    0.00  -0.000020096  -0.000010831  -0.000133817
 H      3.754205      1.237875      0.849659    0.00  -0.000152781   0.000129516   0.000003777
 H      3.754071     -1.238442      0.849261    0.00  -0.000152894  -0.000129443   0.000004169
 H      1.819996     -2.496437     -0.086662    0.00  -0.000019935   0.000010751  -0.000133612
 H     -1.013696     -1.173660     -1.874737    0.00   0.001343892  -0.001509303   0.000246614
 H     -1.013572      1.174369     -1.874443    0.00   0.001344710   0.001508814   0.000246490
 S     -1.682187     -0.000024      0.256493    0.00   0.045264367   0.000022808  -0.053166748
 O     -1.385282     -0.000271      1.671225    0.00   0.000589654   0.000004572  -0.018039610
 O     -3.053833      0.000070     -0.187484    0.00   0.010653677   0.000001533   0.001615255
 H     -0.683042     -2.364419     -0.611155    0.00  -0.002302173   0.001749162   0.003069571
 H     -0.682774      2.364789     -0.610567    0.00  -0.002304345  -0.001751442   0.003070756
19
 Energy =     -0.0345315828703
 C      0.725004     -0.708888     -0.636841    0.00   0.001471928   0.000499881   0.008405716
 C      0.725100      0.709124     -0.636665    0.00   0.001470951  -0.000504491   0.008406567
 C      1.830241      1.408196     -0.098674    0.00  -0.002615954  -0.000213448  -0.004711575
 C      2.904708      0.705949      0.424119    0.00   0.001918016  -0.003243502  -0.001376389
 C      2.904627     -0.706287      0.423902    0.00   0.001918246   0.003243405  -0.001373878
 C      1.830062     -1.408251     -0.099071    0.00  -0.002614364   0.000213715  -0.004710765
 C     -0.574118     -1.321962     -0.888457    0.00  -0.028293548   0.021705552   0.029263793
 C     -0.573909      1.322423     -0.888180    0.00  -0.028308403  -0.021725115   0.029267261
 H      1.820472      2.496500     -0.085305    0.00  -0.000043078  -0.000035026  -0.000114430
 H      3.755047      1.237181      0.849565    0.00  -0.000166661   0.000134488   0.000031336
 H      3.754914     -1.237749      0.849165    0.00  -0.000166784  -0.000134436   0.000031745
 H      1.820158     -2.496557     -0.086010    0.00  -0.000042933   0.000034958  -0.000114213
 H     -1.021385     -1.165603     -1.874700    0.00   0.001634189  -0.001566614  -0.000084033
 H     -1.021266      1.166315     -1.874404    0.00   0.001635161   0.001566233  -0.000084458
 S     -1.689827     -0.000027      0.265390    0.00   0.046521202   0.000021512  -0.053773887
 O     -1.385371     -0.000273      1.677096    0.00  -0.000036946   0.000004002  -0.017278935
 O     -3.057319      0.000069     -0.188123    0.00   0.010318134   0.000001060   0.002210188
 H     -0.670921     -2.373747     -0.627171    0.00  -0.002298500   0.001789113   0.003002388
 H     -0.670642      2.374128     -0.626589    0.00  -0.002300656  -0.001791287   0.003003567
19
 Energy =     -0.0285121272963
 C      0.724070     -0.709252     -0.640429    0.00   0.002662389   0.001088305   0.007979922
 C      0.724166      0.709490     -0.640254    0.00   0.002661713  -0.001092747   0.007980516
 C      1.831456      1.408349     -0.096579    0.00  -0.002887856  -0.000472678  -0.004837406
 C      2.903842      0.707462      0.424652    0.00   0.002024325  -0.003628356  -0.001072538
 C      2.903762     -0.707800      0.424433    0.00   0.002024559   0.003628126  -0.001069909
 C      1.831275     -1.408404     -0.096977    0.00  -0.002886333   0.000473078  -0.004836657
 C     -0.561533     -1.331496     -0.901228    0.00  -0.029154427   0.021871064   0.028904247
 C     -0.561318      1.331966     -0.900952    0.00  -0.029167499  -0.021888427   0.028905803
 H      1.820755      2.496746     -0.084751    0.00  -0.000067313  -0.000059806  -0.000099271
 H      3.755938      1.236483      0.849350    0.00  -0.000175203   0.000134508   0.000050648
 H      3.755806     -1.237051      0.848947    0.00  -0.000175351  -0.000134461   0.000051073
 H      1.820440     -2.496803     -0.085457    0.00  -0.000067181   0.000059734  -0.000099044
 H     -1.030384     -1.157397     -1.872797    0.00   0.001892405  -0.001608416  -0.000442113
 H     -1.030270      1.158111     -1.872498    0.00   0.001893453   0.001608119  -0.000442783
 S     -1.697493     -0.000031      0.274181    0.00   0.046749267   0.000019972  -0.053240699
 O     -1.385265     -0.000274      1.682588    0.00  -0.000592299   0.000003400  -0.016188617
 O     -3.060612      0.000069     -0.188927    0.00   0.009744772   0.000000625   0.002673770
 H     -0.659118     -2.383042     -0.642526    0.00  -0.002238659   0.001782815   0.002890954
 H     -0.658827      2.383434     -0.641951    0.00  -0.002240762  -0.001784857   0.002892105
19
 Energy =     -0.0225417230272
 C      0.722602     -0.709919     -0.643840    0.00   0.003803886   0.001817682   0.007451701
 C      0.722698      0.710159     -0.643664    0.00   0.003803339  -0.001821983   0.007452095
 C      1.832794      1.408615     -0.094437    0.00  -0.003112637  -0.000715744  -0.004837956
 C      2.902937      0.709139      0.425059    0.00   0.002064973  -0.003915027  -0.000790879
 C      2.902856     -0.709477      0.424839    0.00   0.002065195   0.003914710  -0.000788133
 C      1.832613     -1.408670     -0.094835    0.00  -0.003111151   0.000716223  -0.004837292
 C     -0.548616     -1.341029     -0.913808    0.00  -0.029305011   0.021366577   0.027901362
 C     -0.548395      1.341506     -0.913533    0.00  -0.029316171  -0.021381588   0.027901297
 H      1.821164      2.497120     -0.084261    0.00  -0.000090499  -0.000083064  -0.000088460
 H      3.756864      1.235794      0.849054    0.00  -0.000177231   0.000129081   0.000061387
 H      3.756732     -1.236362      0.848649    0.00  -0.000177390  -0.000129042   0.000061839
 H      1.820848     -2.497177     -0.084968    0.00  -0.000090379   0.000083001  -0.000088223
 H     -1.040618     -1.149003     -1.868915    0.00   0.002087392  -0.001617406  -0.000798203
 H     -1.040510      1.149718     -1.868611    0.00   0.002088426   0.001617151  -0.000799057
 S     -1.705167     -0.000034      0.282853    0.00   0.045825685   0.000018334  -0.051466862
 O     -1.384989     -0.000275      1.687712    0.00  -0.001055137   0.000002761  -0.014791924
 O     -3.063703      0.000069     -0.189867    0.00   0.008944208   0.000000216   0.002991510
 H     -0.647679     -2.392246     -0.657303    0.00  -0.002122742   0.001727666   0.002732336
 H     -0.647378      2.392649     -0.656733    0.00  -0.002124757  -0.001729548   0.002733460
19
 Energy =     -0.0167658009699
 C      0.720592     -0.710975     -0.647098    0.00   0.004756918   0.002623012   0.006793346
 C      0.720689      0.711217     -0.646923    0.00   0.004756323  -0.002627153   0.006793613
 C      1.834261      1.408992     -0.092258    0.00  -0.003237752  -0.000912942  -0.004674382
 C      2.902000      0.710972      0.425358    0.00   0.002021409  -0.004040602  -0.000542556
 C      2.901919     -0.711310      0.425137    0.00   0.002021618   0.004040230  -0.000539715
 C      1.834080     -1.409047     -0.092656    0.00  -0.003236289   0.000913458  -0.004673814
 C     -0.535392     -1.350483     -0.926197    0.00  -0.028551243   0.020149991   0.026177666
 C     -0.535167      1.350966     -0.925921    0.00  -0.028560427  -0.020162597   0.026176368
 H      1.821699      2.497621     -0.083802    0.00  -0.000109462  -0.000101963  -0.000081559
 H      3.757811      1.235126      0.848715    0.00  -0.000171398   0.000118046   0.000063362
 H      3.757681     -1.235694      0.848307    0.00  -0.000171565  -0.000118011   0.000063844
 H      1.821383     -2.497677     -0.084511    0.00  -0.000109352   0.000101912  -0.000081317
 H     -1.051949     -1.140438     -1.862983    0.00   0.002183998  -0.001573676  -0.001109450
 H     -1.051846      1.141154     -1.862674    0.00   0.002184928   0.001573427  -0.001110396
 S     -1.712830     -0.000037      0.291398    0.00   0.043597755   0.000016600  -0.048333088
 O     -1.384564     -0.000276      1.692482    0.00  -0.001402200   0.000002112  -0.013118020
 O     -3.066587      0.000069     -0.190920    0.00   0.007933946  -0.000000145   0.003147858
 H     -0.636635     -2.401315     -0.671583    0.00  -0.001952659   0.001621819   0.002523579
 H     -0.636323      2.401727     -0.671019    0.00  -0.001954548  -0.001623517   0.002524663
19
 Energy =     -0.0113571784159
 C      0.718053     -0.712506     -0.650221    0.00   0.005334572   0.003361688   0.005970333
 C      0.718150      0.712750     -0.650046    0.00   0.005333746  -0.003365589   0.005970577
 C      1.835854      1.409471     -0.090058    0.00  -0.003197098  -0.001029836  -0.004305101
 C      2.901045      0.712940      0.425567    0.00   0.001874649  -0.003932809  -0.000339947
 C      2.900964     -0.713278      0.425345    0.00   0.001874858   0.003932400  -0.000337041
 C      1.835672     -1.409527     -0.090456    0.00  -0.003195659   0.001030356  -0.004304632
 C     -0.521903     -1.359796     -0.938396    0.00  -0.026661700   0.018193007   0.023648718
 C     -0.521674      1.360285     -0.938119    0.00  -0.026668973  -0.018203279   0.023646679
 H      1.822355      2.498240     -0.083345    0.00  -0.000120383  -0.000113067  -0.000077429
 H      3.758763      1.234492      0.848366    0.00  -0.000156548   0.000101749   0.000056788
 H      3.758633     -1.235061      0.847955    0.00  -0.000156744  -0.000101703   0.000057291
 H      1.822038     -2.498296     -0.084056    0.00  -0.000120282   0.000113004  -0.000077183
 H     -1.064166     -1.131782     -1.855008    0.00   0.002147058  -0.001457421  -0.001319260
 H     -1.064068      1.132499     -1.854693    0.00   0.002147826   0.001457171  -0.001320176
 S     -1.720472     -0.000040      0.299814    0.00   0.039896356   0.000014808  -0.043713733
 O     -1.384009     -0.000276      1.696916    0.00  -0.001607754   0.000001471  -0.011206850
 O     -3.069262      0.000069     -0.192069    0.00   0.006743384  -0.000000442   0.003125617
 H     -0.625978     -2.410223     -0.685471    0.00  -0.001732792   0.001464925   0.002262171
 H     -0.625655      2.410645     -0.684913    0.00  -0.001734517  -0.001466434   0.002263178
19
 Energy =    -0.00651848429999
 C      0.715037     -0.714580     -0.653215    0.00   0.005336420   0.003808273   0.004957340
 C      0.715134      0.714826     -0.653040    0.00   0.005335251  -0.003811854   0.004957669
 C      1.837552      1.410042     -0.087864    0.00  -0.002927911  -0.001033999  -0.003702050
 C      2.900090      0.715003      0.425706    0.00   0.001613160  -0.003530645  -0.000194011
 C      2.900009     -0.715341      0.425482    0.00   0.001613285   0.003530272  -0.000191122
 C      1.837369     -1.410097     -0.088263    0.00  -0.002926517   0.001034399  -0.003701709
 C     -0.508213     -1.368925     -0.950422    0.00  -0.023432440   0.015507023   0.020257130
 C     -0.507981      1.369419     -0.950144    0.00  -0.023438062  -0.015515159   0.020254925
 H      1.823115      2.498967     -0.082860    0.00  -0.000119508  -0.000112785  -0.000074036
 H      3.759699      1.233902      0.848044    0.00  -0.000132563   0.000081181   0.000042753
 H      3.759571     -1.234471      0.847630    0.00  -0.000132761  -0.000081136   0.000043292
 H      1.822798     -2.499022     -0.083572    0.00  -0.000119420   0.000112737  -0.000073792
 H     -1.076981     -1.123184     -1.845111    0.00   0.001951508  -0.001256026  -0.001364911
 H     -1.076886      1.123904     -1.844790    0.00   0.001952062   0.001255734  -0.001365720
 S     -1.728092     -0.000043      0.308114    0.00   0.034593955   0.000013152  -0.037529786
 O     -1.383339     -0.000277      1.701049    0.00  -0.001645420   0.000000823  -0.009117473
 O     -3.071734      0.000069     -0.193304    0.00   0.005421191  -0.000000698   0.002907214
 H     -0.615640     -2.418981     -0.699123    0.00  -0.001470347   0.001259317   0.001946668
 H     -0.615306      2.419412     -0.698572    0.00  -0.001471885  -0.001260609   0.001947620
19
 Energy =    -0.00246830625701
 C      0.711658     -0.717213     -0.656071    0.00   0.004654031   0.003722435   0.003775869
 C      0.711757      0.717462     -0.655897    0.00   0.004652504  -0.003725553   0.003776476
 C      1.839312      1.410685     -0.085715    0.00  -0.002412372  -0.000908569  -0.002885196
 C      2.899161      0.717101      0.425800    0.00   0.001249739  -0.002832077  -0.000107647
 C      2.899079     -0.717438      0.425574    0.00   0.001249748   0.002831758  -0.000104839
 C      1.839128     -1.410741     -0.086113    0.00  -0.002411045   0.000908771  -0.002884967
 C     -0.494419     -1.377865     -0.962318    0.00  -0.018859872   0.012195065   0.016057107
 C     -0.494184      1.378363     -0.962039    0.00  -0.018864312  -0.012201406   0.016055392
 H      1.823960      2.499780     -0.082312    0.00  -0.000104763  -0.000098939  -0.000068414
 H      3.760598      1.233361      0.847787    0.00  -0.000100940   0.000058368   0.000024232
 H      3.760472     -1.233930      0.847369    0.00  -0.000101141  -0.000058322   0.000024805
 H      1.823642     -2.499835     -0.083026    0.00  -0.000104688   0.000098902  -0.000068175
 H     -1.090019     -1.114870     -1.833568    0.00   0.001601659  -0.000977299  -0.001203617
 H     -1.089927      1.115592     -1.833242    0.00   0.001602026   0.000976985  -0.001204239
 S     -1.735709     -0.000046      0.316337    0.00   0.027753811   0.000011586  -0.029887379
 O     -1.382565     -0.000277      1.704935    0.00  -0.001497180   0.000000231  -0.006940642
 O     -3.074021      0.000070     -0.194622    0.00   0.004044496  -0.000000861   0.002483623
 H     -0.605456     -2.427657     -0.712795    0.00  -0.001175186   0.001011795   0.001578367
 H     -0.605112      2.428097     -0.712251    0.00  -0.001176515  -0.001012871   0.001579244
19
 Energy =    0.000607319083656
 C      0.708125     -0.720319     -0.658767    0.00   0.003434029   0.003028452   0.002541694
 C      0.708224      0.720569     -0.658593    0.00   0.003432259  -0.003031000   0.002542777
 C      1.841060      1.411382     -0.083662    0.00  -0.001732078  -0.000671719  -0.001963108
 C      2.898294      0.719141      0.425882    0.00   0.000842813  -0.001955890  -0.000066140
 C      2.898213     -0.719479      0.425654    0.00   0.000842680   0.001955627  -0.000063446
 C      1.840875     -1.411438     -0.084061    0.00  -0.001730807   0.000671657  -0.001962966
 C     -0.480661     -1.386666     -0.974178    0.00  -0.013399116   0.008528578   0.011345487
 C     -0.480422      1.387169     -0.973898    0.00  -0.013403096  -0.008533614   0.011344871
 H      1.824867      2.500655     -0.081667    0.00  -0.000078024  -0.000073250  -0.000057307
 H      3.761435      1.232864      0.847638    0.00  -0.000066425   0.000036161   0.000006392
 H      3.761311     -1.233433      0.847214    0.00  -0.000066642  -0.000036112   0.000007002
 H      1.824548     -2.500710     -0.082384    0.00  -0.000077971   0.000073208  -0.000057061
 H     -1.102831     -1.107144     -1.820845    0.00   0.001154312  -0.000664994  -0.000859000
 H     -1.102741      1.107868     -1.820512    0.00   0.001154621   0.000664735  -0.000859399
 S     -1.743366     -0.000049      0.324557    0.00   0.019866386   0.000010298  -0.021302057
 O     -1.381696     -0.000277      1.708661    0.00  -0.001175373  -0.000000306  -0.004807773
 O     -3.076159      0.000070     -0.196032    0.00   0.002722463  -0.000000949   0.001879052
 H     -0.595129     -2.436398     -0.726894    0.00  -0.000859452   0.000735419   0.001165092
 H     -0.594772      2.436848     -0.726359    0.00  -0.000860578  -0.000736301   0.001165889
19
 Energy =     0.00263455832123
 C      0.704723     -0.723677     -0.661263    0.00   0.002108001   0.001976325   0.001450525
 C      0.704825      0.723931     -0.661091    0.00   0.002106526  -0.001978454   0.001452574
 C      1.842709      1.412114     -0.081761    0.00  -0.001060464  -0.000386068  -0.001118523
 C      2.897534      0.721020      0.425991    0.00   0.000484500  -0.001130367  -0.000038807
 C      2.897453     -0.721357      0.425760    0.00   0.000484199   0.001130127  -0.000036297
 C      1.842522     -1.412170     -0.082160    0.00  -0.001059148   0.000385665  -0.001118440
 C     -0.467120     -1.395427     -0.986138    0.00  -0.008001808   0.004963474   0.006702288
 C     -0.466875      1.395936     -0.985859    0.00  -0.008007307  -0.004967843   0.006702015
 H      1.825817      2.501565     -0.080889    0.00  -0.000046207  -0.000042756  -0.000039049
 H      3.762189      1.232398      0.847641    0.00  -0.000035831   0.000017626  -0.000004660
 H      3.762068     -1.232968      0.847206    0.00  -0.000036100  -0.000017581  -0.000003954
 H      1.825498     -2.501619     -0.081610    0.00  -0.000046217   0.000042717  -0.000038717
 H     -1.114916     -1.100360     -1.807571    0.00   0.000714095  -0.000392811  -0.000448248
 H     -1.114830      1.101086     -1.807232    0.00   0.000715330   0.000393167  -0.000447510
 S     -1.751134     -0.000054      0.332881    0.00   0.011927755   0.000009579  -0.012772768
 O     -1.380743     -0.000277      1.712343    0.00  -0.000745720  -0.000000831  -0.002870234
 O     -3.078202      0.000071     -0.197541    0.00   0.001572536  -0.000001027   0.001177817
 H     -0.584243     -2.445424     -0.741971    0.00  -0.000536561   0.000453384   0.000725643
 H     -0.583868      2.445886     -0.741450    0.00  -0.000537578  -0.000454327   0.000726344
19
 Energy =     0.00369946567287
 C      0.701766     -0.726990     -0.663522    0.00   0.001037239   0.000966717   0.000638011
 C      0.701883      0.727253     -0.663371    0.00   0.001038808  -0.000973228   0.000647244
 C      1.844187      1.412873     -0.080065    0.00  -0.000521555  -0.000139389  -0.000491093
 C      2.896919      0.722637      0.426170    0.00   0.000230006  -0.000525333  -0.000003259
 C      2.896841     -0.722973      0.425930    0.00   0.000231279   0.000524806  -0.000004469
 C      1.843995     -1.412925     -0.080462    0.00  -0.000521418   0.000138965  -0.000493377
 C     -0.454014     -1.404250     -0.998322    0.00  -0.003545405   0.002004100   0.002769554
 C     -0.453739      1.404779     -0.998050    0.00  -0.003558638  -0.002004854   0.002765515
 H      1.826803      2.502488     -0.079937    0.00  -0.000018169  -0.000016363  -0.000015822
 H      3.762827      1.231949      0.847864    0.00  -0.000013921   0.000004838  -0.000005580
 H      3.762739     -1.232521      0.847359    0.00  -0.000015644  -0.000004572  -0.000003646
 H      1.826506     -2.502539     -0.080718    0.00  -0.000019474   0.000016718  -0.000013248
 H     -1.125746     -1.094930     -1.794503    0.00   0.000364920  -0.000212216  -0.000126631
 H     -1.125699      1.095629     -1.794088    0.00   0.000366024   0.000214499  -0.000130732
 S     -1.759090     -0.000073      0.341406    0.00   0.005036107   0.000010292  -0.005389291
 O     -1.379727     -0.000271      1.716100    0.00  -0.000312953  -0.000001979  -0.001240238
 O     -3.080211      0.000076     -0.199146    0.00   0.000667484  -0.000001512   0.000506567
 H     -0.572374     -2.454971     -0.758577    0.00  -0.000221440   0.000203067   0.000293755
 H     -0.571924      2.455481     -0.758154    0.00  -0.000223251  -0.000204554   0.000296740
19
 Energy =     0.00400174494229
 C      0.656079     -0.729791     -0.645305    0.00  -0.000010714  -0.000005623  -0.000000745
 C      0.656197      0.730049     -0.645154    0.00  -0.000008869  -0.000000441   0.000008664
 C      1.801852      1.413548     -0.058590    0.00   0.000001916   0.000000070   0.000002033
 C      2.852975      0.723820      0.446582    0.00  -0.000000960   0.000002024  -0.000000203
 C      2.852896     -0.724162      0.446341    0.00   0.000000219  -0.000002470  -0.000001603
 C      1.801659     -1.413607     -0.058986    0.00   0.000001914  -0.000000630  -0.000000075
 C     -0.485245     -1.412943     -0.990834    0.00   0.000010231  -0.000000425  -0.000005799
 C     -0.484972      1.413467     -0.990555    0.00  -0.000003347  -0.000000158  -0.000008414
 H      1.784191      2.503296     -0.058611    0.00   0.000000095   0.000000289  -0.000000286
 H      3.719729      1.231539      0.868532    0.00   0.000001056   0.000000197  -0.000001072
 H      3.719642     -1.232117      0.868026    0.00  -0.000000649   0.000000066   0.000000828
 H      1.783893     -2.503354     -0.059392    0.00  -0.000001218   0.000000069   0.000002273
 H     -1.177545     -1.091961     -1.763405    0.00   0.000001364   0.000000150   0.000001294
 H     -1.177496      1.092660     -1.762983    0.00   0.000002447   0.000002281  -0.000002604
 S     -1.810886     -0.000078      0.370421    0.00   0.000005553   0.000009201   0.000006146
 O     -1.422225     -0.000274      1.740284    0.00   0.000002445  -0.000002000  -0.000001211
 O     -3.125764      0.000073     -0.180732    0.00   0.000000418  -0.000001316  -0.000000737
 H     -0.601718     -2.465306     -0.758370    0.00  -0.000000133   0.000000393  -0.000000711
 H     -0.601260      2.465815     -0.757949    0.00  -0.000001768  -0.000001676   0.000002222
19
 Energy =     0.00376892932479
 C      0.697492     -0.732586     -0.667309    0.00   0.000155903  -0.000134962  -0.000142719
 C      0.697611      0.732852     -0.667158    0.00   0.000158013   0.000129053  -0.000133308
 C      1.846616      1.414230     -0.077336    0.00  -0.000012330   0.000135371   0.000078827
 C      2.896131      0.725009      0.426772    0.00   0.000061189  -0.000027456   0.000116943
 C      2.896051     -0.725345      0.426531    0.00   0.000062356   0.000027000   0.000115514
 C      1.846423     -1.414283     -0.077731    0.00  -0.000012446  -0.000135903   0.000076914
 C     -0.429376     -1.421629     -1.023567    0.00   0.001479512  -0.001538906  -0.002363244
 C     -0.429105      1.422161     -1.023282    0.00   0.001465582   0.001538748  -0.002364528
 H      1.828679      2.504110     -0.077506    0.00   0.000014310   0.000010864   0.000024744
 H      3.763731      1.231135      0.848979    0.00   0.000001627  -0.000009216   0.000012667
 H      3.763645     -1.231707      0.848471    0.00  -0.000000069   0.000009477   0.000014542
 H      1.828380     -2.504162     -0.078288    0.00   0.000012989  -0.000010513   0.000027304
 H     -1.142244     -1.088985     -1.772528    0.00   0.000088014  -0.000108093   0.000234147
 H     -1.142193      1.089698     -1.772099    0.00   0.000089171   0.000110606   0.000230281
 S     -1.775582     -0.000076      0.359215    0.00  -0.003898942   0.000008339   0.004248812
 O     -1.377623     -0.000271      1.724247    0.00   0.000249276  -0.000001983   0.000980557
 O     -3.084217      0.000077     -0.202539    0.00  -0.000431074  -0.000001140  -0.000401953
 H     -0.543962     -2.475634     -0.798385    0.00   0.000259235  -0.000146176  -0.000379215
 H     -0.543497      2.476155     -0.797965    0.00   0.000257685   0.000144890  -0.000376285
19
 Energy =     0.00318208299393
 C      0.696168     -0.734743     -0.668875    0.00  -0.000053763  -0.000358741  -0.000336100
 C      0.696272      0.735000     -0.668696    0.00  -0.000055548   0.000357873  -0.000334473
 C      1.847599      1.414767     -0.076297    0.00   0.000139563   0.000159903   0.000197559
 C      2.895952      0.725789      0.427211    0.00   0.000024331   0.000083908   0.000161951
 C      2.895869     -0.726125      0.426982    0.00   0.000023953  -0.000083899   0.000164201
 C      1.847413     -1.414825     -0.076693    0.00   0.000140403  -0.000160467   0.000197935
 C     -0.417867     -1.429931     -1.036640    0.00   0.002756086  -0.002283896  -0.003679055
 C     -0.417637      1.430440     -1.036328    0.00   0.002753472   0.002281422  -0.003672496
 H      1.829527      2.504743     -0.076091    0.00   0.000020641   0.000013871   0.000036033
 H      3.763991      1.230789      0.849898    0.00   0.000002570  -0.000010677   0.000024278
 H      3.763867     -1.231359      0.849474    0.00   0.000002393   0.000010749   0.000024790
 H      1.829206     -2.504799     -0.076806    0.00   0.000020706  -0.000013912   0.000036170
 H     -1.147594     -1.088337     -1.764369    0.00   0.000011508  -0.000082000   0.000244873
 H     -1.147496      1.089084     -1.764020    0.00   0.000010549   0.000081222   0.000243810
 S     -1.784071     -0.000055      0.368479    0.00  -0.006242467   0.000006099   0.006822641
 O     -1.376631     -0.000279      1.728724    0.00   0.000340271  -0.000001254   0.001651200
 O     -3.086229      0.000072     -0.204243    0.00  -0.000710313  -0.000000499  -0.000608253
 H     -0.527471     -2.486438     -0.821603    0.00   0.000408102  -0.000217016  -0.000587996
 H     -0.527087      2.486913     -0.821064    0.00   0.000407543   0.000217314  -0.000587068
19
 Energy =     0.00238166557705
 C      0.695201     -0.736563     -0.670373    0.00  -0.000081500  -0.000412195  -0.000428714
 C      0.695301      0.736818     -0.670189    0.00  -0.000082436   0.000411266  -0.000427280
 C      1.848513      1.415214     -0.075404    0.00   0.000206799   0.000147171   0.000222812
 C      2.895850      0.726416      0.427741    0.00   0.000027855   0.000103918   0.000214931
 C      2.895767     -0.726752      0.427518    0.00   0.000027592  -0.000103778   0.000216643
 C      1.848330     -1.415274     -0.075799    0.00   0.000207549  -0.000147668   0.000223321
 C     -0.406708     -1.437841     -1.049862    0.00   0.003403382  -0.002601819  -0.004503445
 C     -0.406490      1.438343     -1.049532    0.00   0.003399995   0.002599983  -0.004497854
 H      1.830319      2.505267     -0.074624    0.00   0.000022761   0.000012936   0.000043311
 H      3.764131      1.230475      0.851066    0.00   0.000000901  -0.000010480   0.000036072
 H      3.764003     -1.231042      0.850659    0.00   0.000000777   0.000010546   0.000036481
 H      1.830001     -2.505325     -0.075334    0.00   0.000022827  -0.000012986   0.000043447
 H     -1.151648     -1.088618     -1.757703    0.00   0.000007701  -0.000089714   0.000217865
 H     -1.151551      1.089360     -1.757355    0.00   0.000007631   0.000089574   0.000217800
 S     -1.792644     -0.000048      0.377885    0.00  -0.007665438   0.000004802   0.008434230
 O     -1.375781     -0.000282      1.733410    0.00   0.000339053  -0.000001133   0.002127461
 O     -3.088244      0.000071     -0.205878    0.00  -0.000874517  -0.000000305  -0.000697959
 H     -0.510042     -2.497076     -0.846177    0.00   0.000514732  -0.000253025  -0.000739895
 H     -0.509674      2.497546     -0.845613    0.00   0.000514335   0.000252907  -0.000739226
19
 Energy =     0.00146370627238
 C      0.694568     -0.738067     -0.671828    0.00  -0.000049074  -0.000397408  -0.000486841
 C      0.694666      0.738319     -0.671640    0.00  -0.000049828   0.000396543  -0.000485633
 C      1.849374      1.415549     -0.074652    0.00   0.000240088   0.000113874   0.000212956
 C      2.895828      0.726905      0.428368    0.00   0.000040095   0.000096606   0.000262732
 C      2.895743     -0.727241      0.428149    0.00   0.000039906  -0.000096417   0.000264142
 C      1.849192     -1.415611     -0.075045    0.00   0.000240726  -0.000114304   0.000213516
 C     -0.395863     -1.445240     -1.063288    0.00   0.003697966  -0.002621810  -0.004951858
 C     -0.395654      1.445737     -1.062943    0.00   0.003695068   0.002620476  -0.004946642
 H      1.831052      2.505664     -0.073144    0.00   0.000022464   0.000010044   0.000046430
 H      3.764167      1.230206      0.852467    0.00  -0.000001648  -0.000009236   0.000046334
 H      3.764034     -1.230771      0.852073    0.00  -0.000001741   0.000009299   0.000046663
 H      1.830736     -2.505723     -0.073850    0.00   0.000022528  -0.000010089   0.000046560
 H     -1.154297     -1.089625     -1.752766    0.00   0.000020993  -0.000096608   0.000166445
 H     -1.154198      1.090366     -1.752417    0.00   0.000020920   0.000096508   0.000166453
 S     -1.801283     -0.000044      0.387437    0.00  -0.008397468   0.000003824   0.009315058
 O     -1.375126     -0.000284      1.738345    0.00   0.000259598  -0.000001050   0.002440693
 O     -3.090261      0.000071     -0.207396    0.00  -0.000954858  -0.000000191  -0.000692339
 H     -0.491840     -2.507344     -0.872039    0.00   0.000577297  -0.000255187  -0.000832645
 H     -0.491484      2.507810     -0.871453    0.00   0.000576969   0.000255126  -0.000832023
19
 Energy =     0.00049477220557
 C      0.694238     -0.739305     -0.673301    0.00   0.000016638  -0.000350438  -0.000532781
 C      0.694335      0.739555     -0.673110    0.00   0.000016002   0.000349635  -0.000531732
 C      1.850201      1.415777     -0.074018    0.00   0.000254016   0.000074648   0.000187049
 C      2.895869      0.727287      0.429097    0.00   0.000053339   0.000078951   0.000305005
 C      2.895784     -0.727621      0.428882    0.00   0.000053188  -0.000078749   0.000306195
 C      1.850021     -1.415840     -0.074409    0.00   0.000254553  -0.000075016   0.000187613
 C     -0.385267     -1.452055     -1.076921    0.00   0.003763270  -0.002452152  -0.005138921
 C     -0.385066      1.452549     -1.076562    0.00   0.003760776   0.002451240  -0.005134196
 H      1.831728      2.505940     -0.071676    0.00   0.000020988   0.000006555   0.000046455
 H      3.764103      1.229986      0.854100    0.00  -0.000004435  -0.000007550   0.000054815
 H      3.763968     -1.230549      0.853716    0.00  -0.000004508   0.000007607   0.000055091
 H      1.831414     -2.506001     -0.072378    0.00   0.000021045  -0.000006593   0.000046582
 H     -1.155683     -1.091072     -1.749500    0.00   0.000042400  -0.000097552   0.000107343
 H     -1.155585      1.091812     -1.749148    0.00   0.000042337   0.000097483   0.000107380
 S     -1.809962     -0.000040      0.397120    0.00  -0.008638342   0.000003072   0.009672730
 O     -1.374725     -0.000286      1.743531    0.00   0.000123284  -0.000000996   0.002631272
 O     -3.092274      0.000070     -0.208753    0.00  -0.000978354  -0.000000134  -0.000618282
 H     -0.473130     -2.517028     -0.898903    0.00   0.000602046  -0.000234659  -0.000876102
 H     -0.472783      2.517491     -0.898298    0.00   0.000601758   0.000234648  -0.000875517
19
 Energy =   -0.000479687496465
 C      0.694208     -0.740318     -0.674858    0.00   0.000099144  -0.000293779  -0.000579124
 C      0.694302      0.740566     -0.674665    0.00   0.000098598   0.000293065  -0.000578201
 C      1.851012      1.415909     -0.073484    0.00   0.000258102   0.000038525   0.000155596
 C      2.895960      0.727583      0.429939    0.00   0.000063065   0.000059929   0.000341816
 C      2.895874     -0.727918      0.429726    0.00   0.000062940  -0.000059739   0.000342836
 C      1.850834     -1.415972     -0.073874    0.00   0.000258554  -0.000038840   0.000156144
 C     -0.374877     -1.458222     -1.090769    0.00   0.003682757  -0.002169509  -0.005142546
 C     -0.374682      1.458714     -1.090398    0.00   0.003680605   0.002168938  -0.005138350
 H      1.832356      2.506108     -0.070239    0.00   0.000019045   0.000003296   0.000044407
 H      3.763943      1.229812      0.855972    0.00  -0.000007205  -0.000005806   0.000061719
 H      3.763806     -1.230374      0.855597    0.00  -0.000007268   0.000005858   0.000061953
 H      1.832043     -2.506171     -0.070937    0.00   0.000019093  -0.000003332   0.000044529
 H     -1.155911     -1.092688     -1.747853    0.00   0.000065125  -0.000090604   0.000048642
 H     -1.155813      1.093428     -1.747499    0.00   0.000065071   0.000090562   0.000048693
 S     -1.818657     -0.000038      0.406922    0.00  -0.008533816   0.000002465   0.009658993
 O     -1.374644     -0.000288      1.748979    0.00  -0.000051438  -0.000000948   0.002730364
 O     -3.094283      0.000070     -0.209905    0.00  -0.000964964  -0.000000106  -0.000497915
 H     -0.454189     -2.525948     -0.926497    0.00   0.000596425  -0.000200450  -0.000880047
 H     -0.453850      2.526411     -0.925874    0.00   0.000596166   0.000200474  -0.000879511
19
 Energy =    -0.00142914062502
 C      0.694487     -0.741143     -0.676569    0.00   0.000189912  -0.000238553  -0.000630998
 C      0.694581      0.741389     -0.676373    0.00   0.000189431   0.000237918  -0.000630186
 C      1.851825      1.415959     -0.073040    0.00   0.000257690   0.000010388   0.000123134
 C      2.896086      0.727815      0.430904    0.00   0.000067217   0.000043220   0.000373756
 C      2.896000     -0.728149      0.430695    0.00   0.000067099  -0.000043052   0.000374640
 C      1.851648     -1.416023     -0.073428    0.00   0.000258060  -0.000010652   0.000123637
 C     -0.364661     -1.463689     -1.104841    0.00   0.003510011  -0.001828674  -0.005017672
 C     -0.364472      1.464179     -1.104460    0.00   0.003508165   0.001828390  -0.005014020
 H      1.832943      2.506187     -0.068846    0.00   0.000017038   0.000000712   0.000041075
 H      3.763683      1.229681      0.858103    0.00  -0.000009917  -0.000004252   0.000067417
 H      3.763544     -1.230241      0.857734    0.00  -0.000009969   0.000004295   0.000067620
 H      1.832632     -2.506250     -0.069540    0.00   0.000017077  -0.000000738   0.000041189
 H     -1.155060     -1.094224     -1.747781    0.00   0.000085845  -0.000076555  -0.000005320
 H     -1.154962      1.094964     -1.747425    0.00   0.000085789   0.000076524  -0.000005270
 S     -1.827345     -0.000035      0.416832    0.00  -0.008190868   0.000001985   0.009384918
 O     -1.374951     -0.000290      1.754704    0.00  -0.000248794  -0.000000912   0.002762466
 O     -3.096293      0.000070     -0.210807    0.00  -0.000929322  -0.000000105  -0.000349144
 H     -0.435292     -2.533960     -0.954553    0.00   0.000567884  -0.000159830  -0.000853866
 H     -0.434960      2.534423     -0.953913    0.00   0.000567649   0.000159892  -0.000853378
19
 Energy =    -0.00233380321117
 C      0.695104     -0.741810     -0.678505    0.00   0.000283403  -0.000189586  -0.000688997
 C      0.695196      0.742055     -0.678307    0.00   0.000282980   0.000189053  -0.000688285
 C      1.852656      1.415949     -0.072678    0.00   0.000255811  -0.000007996   0.000090919
 C      2.896232      0.727996      0.432010    0.00   0.000065068   0.000030011   0.000401551
 C      2.896146     -0.728329      0.431803    0.00   0.000064957  -0.000029876   0.000402317
 C      1.852480     -1.416014     -0.073065    0.00   0.000256113   0.000007776   0.000091374
 C     -0.354603     -1.468410     -1.119138    0.00   0.003280956  -0.001469062  -0.004803668
 C     -0.354419      1.468900     -1.118747    0.00   0.003279364   0.001468998  -0.004800539
 H      1.833500      2.506195     -0.067506    0.00   0.000015232  -0.000001050   0.000036967
 H      3.763313      1.229586      0.860523    0.00  -0.000012645  -0.000003019   0.000072309
 H      3.763173     -1.230145      0.860161    0.00  -0.000012691   0.000003054   0.000072485
 H      1.833190     -2.506259     -0.068196    0.00   0.000015263   0.000001028   0.000037072
 H     -1.153189     -1.095454     -1.749250    0.00   0.000102912  -0.000057330  -0.000052311
 H     -1.153091      1.096194     -1.748892    0.00   0.000102860   0.000057315  -0.000052263
 S     -1.835998     -0.000033      0.426835    0.00  -0.007688745   0.000001596   0.008932544
 O     -1.375716     -0.000292      1.760729    0.00  -0.000455583  -0.000000877   0.002746368
 O     -3.098312      0.000070     -0.211412    0.00  -0.000881881  -0.000000118  -0.000186214
 H     -0.416702     -2.540955     -0.982811    0.00   0.000523420  -0.000118338  -0.000806029
 H     -0.416378      2.541419     -0.982155    0.00   0.000523208   0.000118423  -0.000805599
19
 Energy =    -0.00318180557059
 C      0.696091     -0.742346     -0.680743    0.00   0.000374927  -0.000148480  -0.000750847
 C      0.696182      0.742590     -0.680543    0.00   0.000374559   0.000148054  -0.000750231
 C      1.853521      1.415899     -0.072401    0.00   0.000254208  -0.000017043   0.000058538
 C      2.896381      0.728138      0.433275    0.00   0.000056666   0.000020349   0.000425914
 C      2.896294     -0.728471      0.433070    0.00   0.000056560  -0.000020251   0.000426578
 C      1.853346     -1.415965     -0.072786    0.00   0.000254450   0.000016861   0.000058941
 C     -0.344698     -1.472351     -1.133650    0.00   0.003020790  -0.001119085  -0.004529764
 C     -0.344519      1.472841     -1.133249    0.00   0.003019414   0.001119190  -0.004527127
 H      1.834039      2.506155     -0.066232    0.00   0.000013800  -0.000002009   0.000032297
 H      3.762816      1.229519      0.863279    0.00  -0.000015484  -0.000002146   0.000076698
 H      3.762674     -1.230076      0.862923    0.00  -0.000015527   0.000002172   0.000076850
 H      1.833731     -2.506221     -0.066918    0.00   0.000013824   0.000001990   0.000032390
 H     -1.150349     -1.096183     -1.752223    0.00   0.000115691  -0.000035385  -0.000091171
 H     -1.150253      1.096924     -1.751863    0.00   0.000115641   0.000035384  -0.000091127
 S     -1.844582     -0.000032      0.436912    0.00  -0.007087167   0.000001283   0.008363768
 O     -1.377016     -0.000294      1.767076    0.00  -0.000660898  -0.000000843   0.002696147
 O     -3.100348      0.000069     -0.211673    0.00  -0.000829853  -0.000000138  -0.000020380
 H     -0.398670     -2.546861     -1.011019    0.00   0.000469293  -0.000079882  -0.000743921
 H     -0.398352      2.547326     -1.010348    0.00   0.000469105   0.000079980  -0.000743551
19
 Energy =    -0.00396714243243
 C      0.697486     -0.742772     -0.683357    0.00   0.000460024  -0.000115155  -0.000812707
 C      0.697576      0.743014     -0.683155    0.00   0.000459706   0.000114833  -0.000812182
 C      1.854439      1.415831     -0.072219    0.00   0.000253808  -0.000018550   0.000024963
 C      2.896511      0.728251      0.434722    0.00   0.000042549   0.000013802   0.000447373
 C      2.896424     -0.728584      0.434519    0.00   0.000042448  -0.000013742   0.000447945
 C      1.854265     -1.415898     -0.072603    0.00   0.000253995   0.000018404   0.000025312
 C     -0.334952     -1.475492     -1.148349    0.00   0.002747953  -0.000799120  -0.004218263
 C     -0.334777      1.475983     -1.147941    0.00   0.002746764   0.000799355  -0.004216075
 H      1.834580      2.506089     -0.065048    0.00   0.000012884  -0.000002313   0.000027079
 H      3.762163      1.229471      0.866427    0.00  -0.000018520  -0.000001610   0.000080758
 H      3.762019     -1.230028      0.866077    0.00  -0.000018559   0.000001629   0.000080888
 H      1.834272     -2.506155     -0.065731    0.00   0.000012900   0.000002298   0.000027161
 H     -1.146591     -1.096257     -1.756653    0.00   0.000124063  -0.000013159  -0.000121422
 H     -1.146496      1.096999     -1.756291    0.00   0.000124015   0.000013168  -0.000121383
 S     -1.853058     -0.000030      0.447033    0.00  -0.006432096   0.000001034   0.007726262
 O     -1.378926     -0.000296      1.773769    0.00  -0.000855888  -0.000000812   0.002622093
 O     -3.102415      0.000069     -0.211544    0.00  -0.000777762  -0.000000164   0.000139649
 H     -0.381416     -2.551647     -1.038932    0.00   0.000410941  -0.000046933  -0.000673881
 H     -0.381104      2.552115     -1.038248    0.00   0.000410775   0.000047038  -0.000673570
19
 Energy =    -0.00468811693537
 C      0.699321     -0.743105     -0.686415    0.00   0.000534546  -0.000088843  -0.000870025
 C      0.699410      0.743347     -0.686211    0.00   0.000534272   0.000088625  -0.000869577
 C      1.855429      1.415766     -0.072153    0.00   0.000254920  -0.000014992  -0.000010784
 C      2.896599      0.728343      0.436375    0.00   0.000023635   0.000009727   0.000466205
 C      2.896512     -0.728676      0.436174    0.00   0.000023540  -0.000009704   0.000466692
 C      1.855255     -1.415832     -0.072537    0.00   0.000255061   0.000014878  -0.000010485
 C     -0.325376     -1.477838     -1.163196    0.00   0.002476230  -0.000522935  -0.003886862
 C     -0.325205      1.478330     -1.162780    0.00   0.002475206   0.000523259  -0.003885077
 H      1.835147      2.506016     -0.063994    0.00   0.000012589  -0.000002152   0.000021223
 H      3.761320      1.229435      0.870032    0.00  -0.000021773  -0.000001354   0.000084515
 H      3.761175     -1.229991      0.869687    0.00  -0.000021810   0.000001365   0.000084625
 H      1.834840     -2.506083     -0.064673    0.00   0.000012599   0.000002138   0.000021294
 H     -1.141976     -1.095575     -1.762468    0.00   0.000128278   0.000007151  -0.000143134
 H     -1.141882      1.096318     -1.762105    0.00   0.000128234  -0.000007133  -0.000143102
 S     -1.861379     -0.000029      0.457162    0.00  -0.005759170   0.000000842   0.007057438
 O     -1.381520     -0.000298      1.780831    0.00  -0.001033505  -0.000000786   0.002531789
 O     -3.104525      0.000069     -0.210981    0.00  -0.000728376  -0.000000193   0.000287116
 H     -0.365122     -2.555325     -1.066321    0.00   0.000352835  -0.000020715  -0.000601054
 H     -0.364817      2.555796     -1.065623    0.00   0.000352691   0.000020820  -0.000600797
19
 Energy =    -0.00534607900414
 C      0.701618     -0.743363     -0.689974    0.00   0.000595077  -0.000068415  -0.000918468
 C      0.701705      0.743604     -0.689768    0.00   0.000594844   0.000068281  -0.000918097
 C      1.856510      1.415717     -0.072236    0.00   0.000257381  -0.000008943  -0.000049092
 C      2.896620      0.728420      0.438261    0.00   0.000001134   0.000007433   0.000482320
 C      2.896532     -0.728752      0.438062    0.00   0.000001042  -0.000007443   0.000482730
 C      1.856337     -1.415784     -0.072618    0.00   0.000257480   0.000008863  -0.000048846
 C     -0.315984     -1.479423     -1.178130    0.00   0.002215805  -0.000298337  -0.003549716
 C     -0.315817      1.479916     -1.177708    0.00   0.002214935   0.000298727  -0.003548286
 H      1.835773      2.505953     -0.063131    0.00   0.000012972  -0.000001718   0.000014663
 H      3.760248      1.229402      0.874161    0.00  -0.000025212  -0.000001299   0.000087865
 H      3.760102     -1.229959      0.873821    0.00  -0.000025244   0.000001303   0.000087959
 H      1.835467     -2.506020     -0.063807    0.00   0.000012977   0.000001710   0.000014722
 H     -1.136582     -1.094102     -1.769563    0.00   0.000128852   0.000023842  -0.000156773
 H     -1.136489      1.094847     -1.769199    0.00   0.000128809  -0.000023821  -0.000156749
 S     -1.869490     -0.000028      0.467255    0.00  -0.005096043   0.000000700   0.006386707
 O     -1.384865     -0.000301      1.788278    0.00  -0.001188474  -0.000000765   0.002430691
 O     -3.106693      0.000068     -0.209945    0.00  -0.000682972  -0.000000225   0.000417070
 H     -0.349913     -2.557953     -1.092976    0.00   0.000298382  -0.000001437  -0.000529456
 H     -0.349613      2.558428     -1.092267    0.00   0.000298258   0.000001543  -0.000529246
19
 Energy =    -0.00594437800459
 C      0.704382     -0.743559     -0.694072    0.00   0.000639392  -0.000052743  -0.000954659
 C      0.704469      0.743799     -0.693865    0.00   0.000639198   0.000052691  -0.000954354
 C      1.857702      1.415696     -0.072507    0.00   0.000260756  -0.000002618  -0.000089404
 C      2.896546      0.728486      0.440403    0.00  -0.000023580   0.000006353   0.000495233
 C      2.896458     -0.728818      0.440205    0.00  -0.000023664  -0.000006390   0.000495574
 C      1.857529     -1.415763     -0.072888    0.00   0.000260820   0.000002568  -0.000089202
 C     -0.306789     -1.480313     -1.193084    0.00   0.001973836  -0.000127588  -0.003218026
 C     -0.306625      1.480807     -1.192655    0.00   0.001973101   0.000128013  -0.003216896
 H      1.836502      2.505910     -0.062540    0.00   0.000014013  -0.000001184   0.000007448
 H      3.758905      1.229369      0.878873    0.00  -0.000028743  -0.000001370   0.000090608
 H      3.758757     -1.229926      0.878537    0.00  -0.000028772   0.000001369   0.000090685
 H      1.836196     -2.505977     -0.063214    0.00   0.000014013   0.000001179   0.000007496
 H     -1.130502     -1.091876     -1.777797    0.00   0.000126386   0.000035893  -0.000163272
 H     -1.130410      1.092623     -1.777431    0.00   0.000126348  -0.000035867  -0.000163254
 S     -1.877341     -0.000027      0.477265    0.00  -0.004463676   0.000000596   0.005736849
 O     -1.389015     -0.000303      1.796117    0.00  -0.001317278  -0.000000745   0.002322683
 O     -3.108930      0.000067     -0.208409    0.00  -0.000641741  -0.000000257   0.000526199
 H     -0.335844     -2.559635     -1.118720    0.00   0.000249848   0.000011451  -0.000461937
 H     -0.335550      2.560113     -1.118002    0.00   0.000249743  -0.000011351  -0.000461770
19
 Energy =    -0.00648751545896
 C      0.707601     -0.743706     -0.698728    0.00   0.000666791  -0.000040819  -0.000976595
 C      0.707687      0.743946     -0.698520    0.00   0.000666634   0.000040838  -0.000976350
 C      1.859020      1.415705     -0.073009    0.00   0.000264406   0.000002434  -0.000130229
 C      2.896350      0.728544      0.442820    0.00  -0.000049029   0.000006066   0.000504129
 C      2.896262     -0.728877      0.442623    0.00  -0.000049107  -0.000006125   0.000504406
 C      1.858848     -1.415773     -0.073389    0.00   0.000264442  -0.000002457  -0.000130065
 C     -0.297796     -1.480607     -1.207979    0.00   0.001754617  -0.000007940  -0.002900355
 C     -0.297635      1.481104     -1.207546    0.00   0.001754006   0.000008383  -0.002899479
 H      1.837382      2.505893     -0.062318    0.00   0.000015596  -0.000000678  -0.000000187
 H      3.757249      1.229333      0.884215    0.00  -0.000032229  -0.000001509   0.000092510
 H      3.757100     -1.229889      0.883883    0.00  -0.000032255   0.000001504   0.000092573
 H      1.837075     -2.505961     -0.062989    0.00   0.000015594   0.000000675  -0.000000148
 H     -1.123847     -1.089009     -1.786997    0.00   0.000121619   0.000043018  -0.000163878
 H     -1.123757      1.089758     -1.786631    0.00   0.000121585  -0.000042989  -0.000163865
 S     -1.884881     -0.000026      0.487143    0.00  -0.003877142   0.000000524   0.005124776
 O     -1.394006     -0.000306      1.804346    0.00  -0.001418126  -0.000000729   0.002210484
 O     -3.111244      0.000066     -0.206358    0.00  -0.000604104  -0.000000287   0.000612710
 H     -0.322896     -2.560510     -1.143418    0.00   0.000208395   0.000018968  -0.000400283
 H     -0.322607      2.560992     -1.142690    0.00   0.000208308  -0.000018877  -0.000400153
19
 Energy =     -0.0069805040921
 C      0.711244     -0.743814     -0.703939    0.00   0.000678144  -0.000031777  -0.000983748
 C      0.711329      0.744055     -0.703730    0.00   0.000678020   0.000031851  -0.000983555
 C      1.860479      1.415744     -0.073783    0.00   0.000267606   0.000005432  -0.000169365
 C      2.896010      0.728596      0.445522    0.00  -0.000073739   0.000006284   0.000508044
 C      2.895921     -0.728929      0.445327    0.00  -0.000073811  -0.000006358   0.000508267
 C      1.860306     -1.415812     -0.074163    0.00   0.000267618  -0.000005430  -0.000169235
 C     -0.289002     -1.480429     -1.222742    0.00   0.001559967   0.000067284  -0.002602871
 C     -0.288844      1.480928     -1.222305    0.00   0.001559468  -0.000066839  -0.002602203
 H      1.838462      2.505905     -0.062560    0.00   0.000017527  -0.000000281  -0.000007841
 H      3.755248      1.229292      0.890211    0.00  -0.000035505  -0.000001672   0.000093356
 H      3.755098     -1.229849      0.889883    0.00  -0.000035528   0.000001663   0.000093405
 H      1.838156     -2.505973     -0.063229    0.00   0.000017522   0.000000281  -0.000007810
 H     -1.116733     -1.085663     -1.796980    0.00   0.000115254   0.000045625  -0.000160026
 H     -1.116645      1.086414     -1.796614    0.00   0.000115225  -0.000045595  -0.000160017
 S     -1.892072     -0.000025      0.496849    0.00  -0.003346257   0.000000478   0.004562030
 O     -1.399853     -0.000309      1.812956    0.00  -0.001490787  -0.000000715   0.002096069
 O     -3.113642      0.000065     -0.203793    0.00  -0.000569074  -0.000000314   0.000676146
 H     -0.310986     -2.560741     -1.166976    0.00   0.000174209   0.000022330  -0.000345373
 H     -0.310702      2.561227     -1.166241    0.00   0.000174139  -0.000022248  -0.000345273
19
 Energy =    -0.00742842374933
 C      0.715268     -0.743894     -0.709681    0.00   0.000675561  -0.000024901  -0.000976853
 C      0.715352      0.744135     -0.709471    0.00   0.000675465   0.000025017  -0.000976705
 C      1.862084      1.415806     -0.074863    0.00   0.000269650   0.000006268  -0.000204366
 C      2.895507      0.728643      0.448507    0.00  -0.000096341   0.000006837   0.000506108
 C      2.895418     -0.728976      0.448314    0.00  -0.000096406  -0.000006921   0.000506282
 C      1.861912     -1.415873     -0.075242    0.00   0.000269644  -0.000006244  -0.000204263
 C     -0.280397     -1.479909     -1.237306    0.00   0.001389690   0.000107195  -0.002329587
 C     -0.280242      1.480411     -1.236865    0.00   0.001389295  -0.000106757  -0.002329088
 H      1.839787      2.505942     -0.063351    0.00   0.000019560  -0.000000038  -0.000015023
 H      3.752880      1.229248      0.896855    0.00  -0.000038399  -0.000001836   0.000092994
 H      3.752728     -1.229806      0.896530    0.00  -0.000038419   0.000001824   0.000093033
 H      1.839480     -2.506011     -0.064018    0.00   0.000019553   0.000000041  -0.000014998
 H     -1.109275     -1.082034     -1.807561    0.00   0.000107939   0.000044616  -0.000153156
 H     -1.109189      1.082787     -1.807194    0.00   0.000107915  -0.000044585  -0.000153150
 S     -1.898886     -0.000024      0.506350    0.00  -0.002876277   0.000000452   0.004055381
 O     -1.406548     -0.000312      1.821924    0.00  -0.001536356  -0.000000705   0.001980944
 O     -3.116121      0.000064     -0.200737    0.00  -0.000535520  -0.000000338   0.000717182
 H     -0.299983     -2.560498     -1.189349    0.00   0.000146752   0.000022746  -0.000297405
 H     -0.299703      2.560989     -1.188607    0.00   0.000146696  -0.000022672  -0.000297330
19
 Energy =    -0.00783613839758
 C      0.719621     -0.743952     -0.715910    0.00   0.000661830  -0.000019644  -0.000957531
 C      0.719704      0.744194     -0.715699    0.00   0.000661762   0.000019794  -0.000957420
 C      1.863839      1.415883     -0.076265    0.00   0.000269938   0.000005306  -0.000233068
 C      2.894832      0.728685      0.451761    0.00  -0.000115686   0.000007612   0.000497776
 C      2.894743     -0.729019      0.451569    0.00  -0.000115743  -0.000007702   0.000497910
 C      1.863666     -1.415950     -0.076643    0.00   0.000269918  -0.000005263  -0.000232988
 C     -0.271965     -1.479175     -1.251618    0.00   0.001242209   0.000121647  -0.002082645
 C     -0.271812      1.479680     -1.251174    0.00   0.001241905  -0.000121223  -0.002082284
 H      1.841385      2.506000     -0.064741    0.00   0.000021447   0.000000036  -0.000021261
 H      3.750139      1.229202      0.904113    0.00  -0.000040754  -0.000001986   0.000091368
 H      3.749986     -1.229762      0.903791    0.00  -0.000040771   0.000001973   0.000091397
 H      1.841078     -2.506067     -0.065406    0.00   0.000021440  -0.000000031  -0.000021242
 H     -1.101573     -1.078314     -1.818575    0.00   0.000100242   0.000041137  -0.000144542
 H     -1.101488      1.079070     -1.818208    0.00   0.000100222  -0.000041106  -0.000144538
 S     -1.905317     -0.000023      0.515629    0.00  -0.002468642   0.000000441   0.003607524
 O     -1.414062     -0.000315      1.831222    0.00  -0.001556958  -0.000000696   0.001866377
 O     -3.118673      0.000062     -0.197226    0.00  -0.000502422  -0.000000360   0.000737375
 H     -0.289734     -2.559941     -1.210530    0.00   0.000125052   0.000021285  -0.000256131
 H     -0.289457      2.560436     -1.209784    0.00   0.000125010  -0.000021220  -0.000256076
19
 Energy =    -0.00820812859661
 C      0.724248     -0.743994     -0.722571    0.00   0.000639887  -0.000015613  -0.000927876
 C      0.724331      0.744238     -0.722359    0.00   0.000639842   0.000015786  -0.000927798
 C      1.865736      1.415967     -0.077989    0.00   0.000268041   0.000003131  -0.000254013
 C      2.893986      0.728723      0.455254    0.00  -0.000130940   0.000008524   0.000482989
 C      2.893896     -0.729058      0.455062    0.00  -0.000130991  -0.000008613   0.000483086
 C      1.865563     -1.416034     -0.078367    0.00   0.000268011  -0.000003076  -0.000253948
 C     -0.263685     -1.478334     -1.265644    0.00   0.001115190   0.000119758  -0.001862617
 C     -0.263534      1.478842     -1.265198    0.00   0.001114963  -0.000119353  -0.001862365
 H      1.843270      2.506071     -0.066743    0.00   0.000022984  -0.000000044  -0.000026207
 H      3.747036      1.229158      0.911919    0.00  -0.000042443  -0.000002118   0.000088522
 H      3.746882     -1.229719      0.911599    0.00  -0.000042457   0.000002104   0.000088543
 H      1.842962     -2.506138     -0.067407    0.00   0.000022976   0.000000051  -0.000026192
 H     -1.093708     -1.074668     -1.829887    0.00   0.000092614   0.000036298  -0.000135198
 H     -1.093624      1.075427     -1.829520    0.00   0.000092600  -0.000036267  -0.000135198
 S     -1.911371     -0.000021      0.524683    0.00  -0.002121787   0.000000440   0.003217849
 O     -1.422343     -0.000319      1.840816    0.00  -0.001555441  -0.000000686   0.001753527
 O     -3.121283      0.000060     -0.193316    0.00  -0.000469013  -0.000000378   0.000738935
 H     -0.280086     -2.559204     -1.230555    0.00   0.000107999   0.000018823  -0.000221039
 H     -0.279812      2.559703     -1.229804    0.00   0.000107967  -0.000018766  -0.000221001
19
 Energy =    -0.00854840465132
 C      0.729098     -0.744025     -0.729600    0.00   0.000612390  -0.000012525  -0.000890147
 C      0.729181      0.744271     -0.729388    0.00   0.000612361   0.000012713  -0.000890093
 C      1.867763      1.416052     -0.080016    0.00   0.000263724   0.000000357  -0.000266666
 C      2.892978      0.728757      0.458943    0.00  -0.000141626   0.000009464   0.000462213
 C      2.892888     -0.729092      0.458751    0.00  -0.000141672  -0.000009551   0.000462285
 C      1.867590     -1.416118     -0.080393    0.00   0.000263687  -0.000000291  -0.000266616
 C     -0.255537     -1.477469     -1.279369    0.00   0.001006045   0.000108905  -0.001668803
 C     -0.255388      1.477980     -1.278921    0.00   0.001005889  -0.000108521  -0.001668641
 H      1.845434      2.506149     -0.069327    0.00   0.000024028  -0.000000245  -0.000029680
 H      3.743600      1.229117      0.920183    0.00  -0.000043393  -0.000002227   0.000084595
 H      3.743445     -1.229679      0.919865    0.00  -0.000043405   0.000002213   0.000084611
 H      1.845126     -2.506216     -0.069990    0.00   0.000024020   0.000000252  -0.000029669
 H     -1.085737     -1.071218     -1.841397    0.00   0.000085385   0.000031012  -0.000125849
 H     -1.085654      1.071980     -1.841031    0.00   0.000085375  -0.000030982  -0.000125851
 S     -1.917074     -0.000020      0.533524    0.00  -0.001831872   0.000000447   0.002883244
 O     -1.431326     -0.000323      1.850667    0.00  -0.001535099  -0.000000680   0.001643520
 O     -3.123932      0.000058     -0.189076    0.00  -0.000434899  -0.000000391   0.000724498
 H     -0.270901     -2.558391     -1.249488    0.00   0.000094542   0.000016004  -0.000191488
 H     -0.270629      2.558895     -1.248734    0.00   0.000094520  -0.000015954  -0.000191463
19
 Energy =    -0.00886048184441
 C      0.734124     -0.744048     -0.736928    0.00   0.000581495  -0.000010187  -0.000846567
 C      0.734206      0.744295     -0.736715    0.00   0.000581482   0.000010383  -0.000846536
 C      1.869904      1.416132     -0.082311    0.00   0.000256989  -0.000002514  -0.000271367
 C      2.891827      0.728786      0.462777    0.00  -0.000147663   0.000010344   0.000436370
 C      2.891736     -0.729122      0.462586    0.00  -0.000147705  -0.000010427   0.000436420
 C      1.869731     -1.416198     -0.082688    0.00   0.000256947   0.000002587  -0.000271328
 C     -0.247498     -1.476637     -1.292795    0.00   0.000912285   0.000094358  -0.001499557
 C     -0.247349      1.477151     -1.292347    0.00   0.000912187  -0.000093994  -0.001499466
 H      1.847854      2.506230     -0.072428    0.00   0.000024520  -0.000000516  -0.000031683
 H      3.739872      1.229079      0.928799    0.00  -0.000043582  -0.000002311   0.000079794
 H      3.739716     -1.229643      0.928482    0.00  -0.000043592   0.000002297   0.000079805
 H      1.847544     -2.506296     -0.073089    0.00   0.000024512   0.000000524  -0.000031675
 H     -1.077694     -1.068037     -1.853042    0.00   0.000078765   0.000025902  -0.000116949
 H     -1.077612      1.068801     -1.852677    0.00   0.000078760  -0.000025872  -0.000116954
 S     -1.922467     -0.000019      0.542178    0.00  -0.001593510   0.000000460   0.002598858
 O     -1.440936     -0.000327      1.860739    0.00  -0.001499476  -0.000000674   0.001537413
 O     -3.126594      0.000055     -0.184583    0.00  -0.000400018  -0.000000404   0.000696971
 H     -0.262065     -2.557574     -1.267423    0.00   0.000083808   0.000013250  -0.000166782
 H     -0.261795      2.558082     -1.266667    0.00   0.000083795  -0.000013206  -0.000166768
19
 Energy =    -0.00914740609267
 C      0.739285     -0.744066     -0.744487    0.00   0.000548882  -0.000008446  -0.000799206
 C      0.739368      0.744314     -0.744275    0.00   0.000548881   0.000008645  -0.000799192
 C      1.872140      1.416205     -0.084830    0.00   0.000248031  -0.000005141  -0.000269142
 C      2.890557      0.728812      0.466701    0.00  -0.000149300   0.000011069   0.000406684
 C      2.890466     -0.729148      0.466511    0.00  -0.000149338  -0.000011145   0.000406718
 C      1.871967     -1.416271     -0.085206    0.00   0.000247986   0.000005217  -0.000269112
 C     -0.239544     -1.475867     -1.305943    0.00   0.000831647   0.000079384  -0.001352607
 C     -0.239396      1.476384     -1.305494    0.00   0.000831600  -0.000079039  -0.001352575
 H      1.850492      2.506309     -0.075953    0.00   0.000024468  -0.000000805  -0.000032362
 H      3.735905      1.229045      0.937651    0.00  -0.000043047  -0.000002366   0.000074361
 H      3.735748     -1.229611      0.937335    0.00  -0.000043055   0.000002352   0.000074368
 H      1.850181     -2.506374     -0.076614    0.00   0.000024459   0.000000813  -0.000032355
 H     -1.069591     -1.065154     -1.864790    0.00   0.000072851   0.000021320  -0.000108744
 H     -1.069509      1.065922     -1.864426    0.00   0.000072849  -0.000021291  -0.000108751
 S     -1.927599     -0.000017      0.550681    0.00  -0.001400371   0.000000477   0.002358833
 O     -1.451093     -0.000332      1.870998    0.00  -0.001452161  -0.000000669   0.001436173
 O     -3.129240      0.000052     -0.179919    0.00  -0.000364628  -0.000000413   0.000659353
 H     -0.253486     -2.556796     -1.284472    0.00   0.000075126   0.000010792  -0.000146225
 H     -0.253217      2.557309     -1.283714    0.00   0.000075119  -0.000010753  -0.000146219
19
 Energy =    -0.00941181513303
 C      0.744548     -0.744078     -0.752214    0.00   0.000515793  -0.000007183  -0.000749924
 C      0.744631      0.744329     -0.752002    0.00   0.000515804   0.000007382  -0.000749925
 C      1.874450      1.416270     -0.087523    0.00   0.000237223  -0.000007329  -0.000261417
 C      2.889198      0.728834      0.470659    0.00  -0.000147049   0.000011566   0.000374514
 C      2.889106     -0.729172      0.470469    0.00  -0.000147084  -0.000011636   0.000374537
 C      1.874276     -1.416335     -0.087899    0.00   0.000237176   0.000007406  -0.000261393
 C     -0.231651     -1.475175     -1.318842    0.00   0.000762157   0.000065698  -0.001225377
 C     -0.231503      1.475696     -1.318393    0.00   0.000762150  -0.000065373  -0.001225393
 H      1.853302      2.506382     -0.079800    0.00   0.000023933  -0.000001070  -0.000031951
 H      3.731758      1.229015      0.946624    0.00  -0.000041871  -0.000002388   0.000068550
 H      3.731600     -1.229583      0.946309    0.00  -0.000041878   0.000002376   0.000068555
 H      1.852991     -2.506447     -0.080460    0.00   0.000023925   0.000001078  -0.000031947
 H     -1.061424     -1.062571     -1.876634    0.00   0.000067657   0.000017404  -0.000101327
 H     -1.061342      1.063342     -1.876271    0.00   0.000067658  -0.000017376  -0.000101337
 S     -1.932528     -0.000015      0.559075    0.00  -0.001245717   0.000000495   0.002156880
 O     -1.461721     -0.000337      1.881415    0.00  -0.001396669  -0.000000665   0.001340614
 O     -3.131843      0.000049     -0.175165    0.00  -0.000329211  -0.000000420   0.000614641
 H     -0.245089     -2.556080     -1.300753    0.00   0.000068002   0.000008719  -0.000129150
 H     -0.244821      2.556596     -1.299995    0.00   0.000068001  -0.000008684  -0.000129150
19
 Energy =    -0.00965601596499
 C      0.749885     -0.744088     -0.760051    0.00   0.000483148  -0.000006302  -0.000700336
 C      0.749968      0.744341     -0.759839    0.00   0.000483172   0.000006495  -0.000700357
 C      1.876812      1.416326     -0.090342    0.00   0.000225071  -0.000009009  -0.000249775
 C      2.887780      0.728853      0.474597    0.00  -0.000141613   0.000011807   0.000341218
 C      2.887688     -0.729192      0.474407    0.00  -0.000141644  -0.000011866   0.000341229
 C      1.876638     -1.416390     -0.090718    0.00   0.000225021   0.000009086  -0.000249755
 C     -0.223797     -1.474562     -1.331527    0.00   0.000702114   0.000053981  -0.001115243
 C     -0.223649      1.475087     -1.331078    0.00   0.000702142  -0.000053675  -0.001115296
 H      1.856238      2.506449     -0.083864    0.00   0.000023008  -0.000001281  -0.000030722
 H      3.727490      1.228989      0.955611    0.00  -0.000040170  -0.000002379   0.000062603
 H      3.727332     -1.229559      0.955296    0.00  -0.000040173   0.000002369   0.000062601
 H      1.855926     -2.506512     -0.084524    0.00   0.000023007   0.000001289  -0.000030722
 H     -1.053182     -1.060269     -1.888580    0.00   0.000063143   0.000014152  -0.000094695
 H     -1.053100      1.061043     -1.888219    0.00   0.000063143  -0.000014127  -0.000094700
 S     -1.937312     -0.000013      0.567404    0.00  -0.001122877   0.000000513   0.001986805
 O     -1.472751     -0.000342      1.891966    0.00  -0.001336294  -0.000000666   0.001251350
 O     -3.134375      0.000046     -0.170399    0.00  -0.000294362  -0.000000418   0.000565694
 H     -0.236817     -2.555432     -1.316385    0.00   0.000062081   0.000007034  -0.000114946
 H     -0.236548      2.555953     -1.315628    0.00   0.000062085  -0.000007002  -0.000114956
19
 Energy =    -0.00988205984407
 C      0.755273     -0.744095     -0.767948    0.00   0.000451666  -0.000005692  -0.000651827
 C      0.755356      0.744350     -0.767736    0.00   0.000451690   0.000005882  -0.000651847
 C      1.879210      1.416374     -0.093241    0.00   0.000212075  -0.000010188  -0.000235665
 C      2.886333      0.728871      0.478468    0.00  -0.000133730   0.000011769   0.000307977
 C      2.886241     -0.729210      0.478278    0.00  -0.000133758  -0.000011821   0.000307985
 C      1.879035     -1.416436     -0.093617    0.00   0.000212030   0.000010265  -0.000235653
 C     -0.215960     -1.474026     -1.344031    0.00   0.000650051   0.000044315  -0.001019725
 C     -0.215812      1.474553     -1.343583    0.00   0.000650098  -0.000044028  -0.001019803
 H      1.859253      2.506508     -0.088049    0.00   0.000021820  -0.000001424  -0.000028954
 H      3.723160      1.228966      0.964515    0.00  -0.000038078  -0.000002342   0.000056727
 H      3.723001     -1.229537      0.964200    0.00  -0.000038085   0.000002331   0.000056733
 H      1.858940     -2.506570     -0.088709    0.00   0.000021811   0.000001432  -0.000028948
 H     -1.044846     -1.058221     -1.900644    0.00   0.000059237   0.000011497  -0.000088783
 H     -1.044763      1.058999     -1.900284    0.00   0.000059247  -0.000011471  -0.000088800
 S     -1.942005     -0.000011      0.575711    0.00  -0.001025567   0.000000537   0.001842855
 O     -1.484121     -0.000348      1.902633    0.00  -0.001273978  -0.000000666   0.001168815
 O     -3.136811      0.000042     -0.165688    0.00  -0.000260751  -0.000000424   0.000515100
 H     -0.228623     -2.554854     -1.331476    0.00   0.000057109   0.000005687  -0.000103092
 H     -0.228353      2.555379     -1.330720    0.00   0.000057111  -0.000005659  -0.000103096
19
 Energy =     -0.0100918021841
 C      0.760693     -0.744100     -0.775864    0.00   0.000421829  -0.000005316  -0.000605460
 C      0.760777      0.744358     -0.775652    0.00   0.000421853   0.000005501  -0.000605484
 C      1.881627      1.416414     -0.096184    0.00   0.000198828  -0.000010925  -0.000220403
 C      2.884887      0.728886      0.482231    0.00  -0.000124191   0.000011497   0.000275820
 C      2.884794     -0.729225      0.482042    0.00  -0.000124217  -0.000011546   0.000275822
 C      1.881452     -1.416475     -0.096560    0.00   0.000198781   0.000011000  -0.000220384
 C     -0.208123     -1.473558     -1.356386    0.00   0.000604736   0.000036514  -0.000936606
 C     -0.207974      1.474089     -1.355939    0.00   0.000604812  -0.000036241  -0.000936719
 H      1.862307      2.506559     -0.092272    0.00   0.000020456  -0.000001498  -0.000026877
 H      3.718821      1.228945      0.973254    0.00  -0.000035734  -0.000002279   0.000051099
 H      3.718661     -1.229518      0.972940    0.00  -0.000035740   0.000002267   0.000051101
 H      1.861993     -2.506619     -0.092931    0.00   0.000020444   0.000001506  -0.000026876
 H     -1.036397     -1.056400     -1.912841    0.00   0.000055869   0.000009344  -0.000083513
 H     -1.036313      1.057181     -1.912484    0.00   0.000055879  -0.000009317  -0.000083530
 S     -1.946657     -0.000008      0.584030    0.00  -0.000948259   0.000000567   0.001720038
 O     -1.495782     -0.000354      1.913402    0.00  -0.001212234  -0.000000663   0.001093109
 O     -3.139130      0.000038     -0.161088    0.00  -0.000228886  -0.000000438   0.000465126
 H     -0.220469     -2.554341     -1.346118    0.00   0.000052882   0.000004624  -0.000093125
 H     -0.220199      2.554871     -1.345363    0.00   0.000052893  -0.000004599  -0.000093138
19
 Energy =     -0.0102869423779
 C      0.766131     -0.744103     -0.783764    0.00   0.000393980  -0.000005098  -0.000561977
 C      0.766215      0.744363     -0.783553    0.00   0.000394015   0.000005277  -0.000562013
 C      1.884052      1.416446     -0.099139    0.00   0.000185834  -0.000011296  -0.000205061
 C      2.883466      0.728899      0.485855    0.00  -0.000113728   0.000011050   0.000245540
 C      2.883373     -0.729239      0.485665    0.00  -0.000113754  -0.000011092   0.000245541
 C      1.883875     -1.416507     -0.099514    0.00   0.000185782   0.000011366  -0.000205043
 C     -0.200272     -1.473151     -1.368617    0.00   0.000565151   0.000030292  -0.000864039
 C     -0.200122      1.473686     -1.368171    0.00   0.000565252  -0.000030033  -0.000864174
 H      1.865365      2.506600     -0.096466    0.00   0.000019022  -0.000001514  -0.000024692
 H      3.714517      1.228926      0.981764    0.00  -0.000033258  -0.000002194   0.000045831
 H      3.714357     -1.229501      0.981450    0.00  -0.000033263   0.000002185   0.000045831
 H      1.865050     -2.506660     -0.097125    0.00   0.000019013   0.000001521  -0.000024690
 H     -1.027821     -1.054779     -1.925186    0.00   0.000052949   0.000007600  -0.000078783
 H     -1.027736      1.055564     -1.924831    0.00   0.000052960  -0.000007574  -0.000078800
 S     -1.951307     -0.000005      0.592391    0.00  -0.000886168   0.000000599   0.001614110
 O     -1.507696     -0.000361      1.924261    0.00  -0.001153018  -0.000000667   0.001024248
 O     -3.141318      0.000034     -0.156645    0.00  -0.000199294  -0.000000445   0.000417543
 H     -0.212330     -2.553888     -1.360385    0.00   0.000049256   0.000003785  -0.000084679
 H     -0.212058      2.554421     -1.359632    0.00   0.000049268  -0.000003761  -0.000084694
19
 Energy =     -0.0104690450855
 C      0.771576     -0.744105     -0.791625    0.00   0.000368385  -0.000004996  -0.000521935
 C      0.771661      0.744367     -0.791414    0.00   0.000368425   0.000005168  -0.000521978
 C      1.886475      1.416473     -0.102083    0.00   0.000173459  -0.000011385  -0.000190333
 C      2.882092      0.728911      0.489314    0.00  -0.000102935   0.000010473   0.000217626
 C      2.881999     -0.729252      0.489125    0.00  -0.000102960  -0.000010509   0.000217625
 C      1.886297     -1.416533     -0.102459    0.00   0.000173405   0.000011452  -0.000190315
 C     -0.192398     -1.472800     -1.380739    0.00   0.000530418   0.000025361  -0.000800422
 C     -0.192246      1.473338     -1.380296    0.00   0.000530536  -0.000025114  -0.000800575
 H      1.868403      2.506634     -0.100583    0.00   0.000017601  -0.000001486  -0.000022543
 H      3.710288      1.228908      0.989997    0.00  -0.000030769  -0.000002096   0.000041011
 H      3.710127     -1.229486      0.989683    0.00  -0.000030772   0.000002088   0.000041011
 H      1.868086     -2.506692     -0.101241    0.00   0.000017593   0.000001492  -0.000022541
 H     -1.019108     -1.053335     -1.937683    0.00   0.000050412   0.000006185  -0.000074511
 H     -1.019021      1.054124     -1.937332    0.00   0.000050424  -0.000006162  -0.000074529
 S     -1.955984     -0.000002      0.600811    0.00  -0.000835501   0.000000635   0.001521764
 O     -1.519836     -0.000369      1.935201    0.00  -0.001097706  -0.000000674   0.000961973
 O     -3.143363      0.000029     -0.152388    0.00  -0.000172264  -0.000000455   0.000373625
 H     -0.204187     -2.553488     -1.374332    0.00   0.000046118   0.000003120  -0.000077468
 H     -0.203912      2.554026     -1.373582    0.00   0.000046133  -0.000003097  -0.000077486
19
 Energy =     -0.0106395481463
 C      0.777021     -0.744104     -0.799427    0.00   0.000345144  -0.000004965  -0.000485575
 C      0.777106      0.744369     -0.799217    0.00   0.000345188   0.000005131  -0.000485626
 C      1.888890      1.416494     -0.105004    0.00   0.000161996  -0.000011267  -0.000176716
 C      2.880781      0.728921      0.492595    0.00  -0.000092306   0.000009812   0.000192372
 C      2.880688     -0.729263      0.492405    0.00  -0.000092330  -0.000009843   0.000192371
 C      1.888712     -1.416553     -0.105379    0.00   0.000161942   0.000011331  -0.000176698
 C     -0.184494     -1.472496     -1.392764    0.00   0.000499835   0.000021459  -0.000744468
 C     -0.184340      1.473038     -1.392324    0.00   0.000499969  -0.000021225  -0.000744637
 H      1.871402      2.506660     -0.104592    0.00   0.000016250  -0.000001429  -0.000020525
 H      3.706162      1.228892      0.997921    0.00  -0.000028357  -0.000001991   0.000036682
 H      3.706000     -1.229472      0.997607    0.00  -0.000028359   0.000001983   0.000036681
 H      1.871083     -2.506717     -0.105250    0.00   0.000016242   0.000001436  -0.000020523
 H     -1.010253     -1.052049     -1.950332    0.00   0.000048190   0.000005040  -0.000070624
 H     -1.010164      1.052842     -1.949984    0.00   0.000048203  -0.000005017  -0.000070643
 S     -1.960709      0.000002      0.609301    0.00  -0.000793313   0.000000675   0.001440419
 O     -1.532183     -0.000376      1.946212    0.00  -0.001047108  -0.000000684   0.000905928
 O     -3.145262      0.000023     -0.148333    0.00  -0.000147957  -0.000000466   0.000334138
 H     -0.196027     -2.553136     -1.388002    0.00   0.000043378   0.000002592  -0.000071268
 H     -0.195750      2.553678     -1.387256    0.00   0.000043395  -0.000002571  -0.000071288
19
 Energy =      -0.010799762946
 C      0.782460     -0.744103     -0.807160    0.00   0.000324261  -0.000004980  -0.000452933
 C      0.782547      0.744371     -0.806950    0.00   0.000324306   0.000005139  -0.000452988
 C      1.891297      1.416510     -0.107892    0.00   0.000151618  -0.000011011  -0.000164462
 C      2.879546      0.728930      0.495688    0.00  -0.000082209   0.000009135   0.000169882
 C      2.879451     -0.729273      0.495499    0.00  -0.000082232  -0.000009161   0.000169881
 C      1.891118     -1.416568     -0.108266    0.00   0.000151562   0.000011073  -0.000164442
 C     -0.176559     -1.472234     -1.404698    0.00   0.000472798   0.000018387  -0.000695133
 C     -0.176403      1.472780     -1.404260    0.00   0.000472946  -0.000018166  -0.000695317
 H      1.874353      2.506680     -0.108476    0.00   0.000015010  -0.000001356  -0.000018701
 H      3.702158      1.228878      1.005522    0.00  -0.000026080  -0.000001882   0.000032841
 H      3.701996     -1.229459      1.005207    0.00  -0.000026082   0.000001875   0.000032840
 H      1.874033     -2.506736     -0.109134    0.00   0.000015002   0.000001361  -0.000018699
 H     -1.001257     -1.050902     -1.963124    0.00   0.000046237   0.000004107  -0.000067061
 H     -1.001165      1.051699     -1.962781    0.00   0.000046252  -0.000004085  -0.000067082
 S     -1.965493      0.000006      0.617864    0.00  -0.000757411   0.000000719   0.001368204
 O     -1.544726     -0.000385      1.957287    0.00  -0.001001551  -0.000000697   0.000855593
 O     -3.147012      0.000018     -0.144485    0.00  -0.000126383  -0.000000479   0.000299386
 H     -0.187847     -2.552827     -1.401423    0.00   0.000040969   0.000002168  -0.000065894
 H     -0.187566      2.553373     -1.400680    0.00   0.000040987  -0.000002149  -0.000065916
19
 Energy =     -0.0109508724843
 C      0.787892     -0.744100     -0.814816    0.00   0.000305653  -0.000005019  -0.000423878
 C      0.787979      0.744370     -0.814608    0.00   0.000305700   0.000005172  -0.000423937
 C      1.893695      1.416522     -0.110744    0.00   0.000142384  -0.000010675  -0.000153655
 C      2.878392      0.728938      0.498593    0.00  -0.000072877   0.000008473   0.000150090
 C      2.878297     -0.729281      0.498404    0.00  -0.000072899  -0.000008495   0.000150088
 C      1.893515     -1.416578     -0.111119    0.00   0.000142327   0.000010735  -0.000153632
 C     -0.168594     -1.472008     -1.416542    0.00   0.000448817   0.000015969  -0.000651523
 C     -0.168436      1.472559     -1.416107    0.00   0.000448978  -0.000015759  -0.000651720
 H      1.877252      2.506694     -0.112232    0.00   0.000013900  -0.000001277  -0.000017093
 H      3.698288      1.228864      1.012794    0.00  -0.000023983  -0.000001776   0.000029473
 H      3.698125     -1.229447      1.012480    0.00  -0.000023985   0.000001769   0.000029472
 H      1.876930     -2.506748     -0.112890    0.00   0.000013892   0.000001283  -0.000017091
 H     -0.992126     -1.049879     -1.976045    0.00   0.000044507   0.000003349  -0.000063780
 H     -0.992031      1.050681     -1.975706    0.00   0.000044522  -0.000003328  -0.000063801
 S     -1.970342      0.000011      0.626498    0.00  -0.000726235   0.000000770   0.001303681
 O     -1.557459     -0.000394      1.968415    0.00  -0.000960959  -0.000000714   0.000810435
 O     -3.148619      0.000011     -0.140841    0.00  -0.000107428  -0.000000495   0.000269320
 H     -0.179644     -2.552555     -1.414613    0.00   0.000038834   0.000001828  -0.000061213
 H     -0.179360      2.553106     -1.413875    0.00   0.000038854  -0.000001809  -0.000061236
19
 Energy =     -0.0110939298106
 C      0.793316     -0.744096     -0.822395    0.00   0.000289154  -0.000005059  -0.000398144
 C      0.793404      0.744369     -0.822187    0.00   0.000289208   0.000005208  -0.000398214
 C      1.896085      1.416530     -0.113563    0.00   0.000134288  -0.000010302  -0.000144266
 C      2.877323      0.728945      0.501315    0.00  -0.000064445   0.000007859   0.000132827
 C      2.877228     -0.729289      0.501125    0.00  -0.000064466  -0.000007874   0.000132824
 C      1.895904     -1.416585     -0.113937    0.00   0.000134228   0.000010358  -0.000144238
 C     -0.160602     -1.471814     -1.428295    0.00   0.000427479   0.000014066  -0.000612892
 C     -0.160440      1.472369     -1.427865    0.00   0.000427642  -0.000013870  -0.000613087
 H      1.880101      2.506703     -0.115864    0.00   0.000012922  -0.000001200  -0.000015699
 H      3.694556      1.228851      1.019746    0.00  -0.000022093  -0.000001675   0.000026540
 H      3.694393     -1.229436      1.019431    0.00  -0.000022093   0.000001671   0.000026540
 H      1.879777     -2.506756     -0.116521    0.00   0.000012918   0.000001205  -0.000015698
 H     -0.982869     -1.048967     -1.989077    0.00   0.000042957   0.000002730  -0.000060745
 H     -0.982770      1.049773     -1.988744    0.00   0.000042975  -0.000002712  -0.000060766
 S     -1.975256      0.000017      0.635197    0.00  -0.000698673   0.000000820   0.001245751
 O     -1.570376     -0.000404      1.979590    0.00  -0.000924996  -0.000000734   0.000769872
 O     -3.150088      0.000004     -0.137389    0.00  -0.000090883  -0.000000509   0.000243642
 H     -0.171422     -2.552316     -1.427588    0.00   0.000036932   0.000001553  -0.000057113
 H     -0.171133      2.552871     -1.426856    0.00   0.000036947  -0.000001536  -0.000057134
19
 Energy =     -0.0112298592937
 C      0.798733     -0.744091     -0.829897    0.00   0.000274598  -0.000005095  -0.000375449
 C      0.798823      0.744366     -0.829691    0.00   0.000274646   0.000005236  -0.000375513
 C      1.898470      1.416534     -0.116352    0.00   0.000127211  -0.000009915  -0.000136151
 C      2.876340      0.728951      0.503860    0.00  -0.000056941   0.000007292   0.000117845
 C      2.876244     -0.729295      0.503670    0.00  -0.000056961  -0.000007303   0.000117845
 C      1.898288     -1.416588     -0.116726    0.00   0.000127158   0.000009971  -0.000136126
 C     -0.152585     -1.471647     -1.439957    0.00   0.000408374   0.000012568  -0.000578528
 C     -0.152421      1.472205     -1.439531    0.00   0.000408544  -0.000012382  -0.000578735
 H      1.882904      2.506707     -0.119382    0.00   0.000012080  -0.000001129  -0.000014509
 H      3.690961      1.228840      1.026391    0.00  -0.000020406  -0.000001583   0.000024006
 H      3.690798     -1.229426      1.026076    0.00  -0.000020407   0.000001578   0.000024005
 H      1.882579     -2.506759     -0.120038    0.00   0.000012073   0.000001134  -0.000014506
 H     -0.973495     -1.048152     -2.002202    0.00   0.000041560   0.000002232  -0.000057929
 H     -0.973393      1.048962     -2.001873    0.00   0.000041577  -0.000002213  -0.000057951
 S     -1.980231      0.000023      0.643956    0.00  -0.000673955   0.000000883   0.001193530
 O     -1.583476     -0.000415      1.990802    0.00  -0.000893130  -0.000000759   0.000733347
 O     -3.151426     -0.000003     -0.134114    0.00  -0.000076495  -0.000000531   0.000221872
 H     -0.163184     -2.552105     -1.440358    0.00   0.000035227   0.000001330  -0.000053515
 H     -0.162891      2.552664     -1.439631    0.00   0.000035247  -0.000001315  -0.000053539
19
 Energy =     -0.0113594601607
 C      0.804145     -0.744084     -0.837326    0.00   0.000261699  -0.000005120  -0.000355379
 C      0.804236      0.744362     -0.837121    0.00   0.000261748   0.000005258  -0.000355449
 C      1.900855      1.416536     -0.119117    0.00   0.000121087  -0.000009544  -0.000129162
 C      2.875438      0.728957      0.506240    0.00  -0.000050369   0.000006803   0.000104879
 C      2.875343     -0.729301      0.506050    0.00  -0.000050387  -0.000006812   0.000104877
 C      1.900671     -1.416589     -0.119490    0.00   0.000121033   0.000009599  -0.000129133
 C     -0.144548     -1.471503     -1.451527    0.00   0.000391206   0.000011389  -0.000547870
 C     -0.144380      1.472065     -1.451105    0.00   0.000391386  -0.000011212  -0.000548088
 H      1.885668      2.506709     -0.122800    0.00   0.000011353  -0.000001065  -0.000013500
 H      3.687497      1.228829      1.032750    0.00  -0.000018916  -0.000001500   0.000021809
 H      3.687333     -1.229416      1.032434    0.00  -0.000018917   0.000001495   0.000021808
 H      1.885341     -2.506759     -0.123456    0.00   0.000011345   0.000001070  -0.000013498
 H     -0.964017     -1.047422     -2.015396    0.00   0.000040282   0.000001827  -0.000055310
 H     -0.963912      1.048237     -2.015073    0.00   0.000040301  -0.000001809  -0.000055334
 S     -1.985264      0.000030      0.652765    0.00  -0.000651479   0.000000956   0.001146237
 O     -1.596753     -0.000427      2.002044    0.00  -0.000864813  -0.000000790   0.000700282
 O     -3.152642     -0.000012     -0.130997    0.00  -0.000063957  -0.000000560   0.000203519
 H     -0.154936     -2.551919     -1.452933    0.00   0.000033688   0.000001152  -0.000050332
 H     -0.154638      2.552482     -1.452213    0.00   0.000033709  -0.000001138  -0.000050357
19
 Energy =     -0.0114834127756
 C      0.809554     -0.744077     -0.844687    0.00   0.000250260  -0.000005123  -0.000337576
 C      0.809646      0.744358     -0.844484    0.00   0.000250313   0.000005255  -0.000337652
 C      1.903240      1.416535     -0.121862    0.00   0.000115753  -0.000009193  -0.000123158
 C      2.874614      0.728961      0.508465    0.00  -0.000044660   0.000006365   0.000093664
 C      2.874518     -0.729306      0.508275    0.00  -0.000044678  -0.000006371   0.000093668
 C      1.903056     -1.416587     -0.122235    0.00   0.000115697   0.000009245  -0.000123127
 C     -0.136495     -1.471377     -1.463004    0.00   0.000375642   0.000010457  -0.000520349
 C     -0.136324      1.471943     -1.462587    0.00   0.000375832  -0.000010288  -0.000520576
 H      1.888400      2.506707     -0.126133    0.00   0.000010729  -0.000001011  -0.000012645
 H      3.684155      1.228818      1.038842    0.00  -0.000017611  -0.000001423   0.000019906
 H      3.683990     -1.229408      1.038526    0.00  -0.000017612   0.000001419   0.000019905
 H      1.888071     -2.506756     -0.126788    0.00   0.000010721   0.000001016  -0.000012640
 H     -0.954449     -1.046766     -2.028641    0.00   0.000039102   0.000001497  -0.000052867
 H     -0.954338      1.047585     -2.028325    0.00   0.000039121  -0.000001479  -0.000052889
 S     -1.990348      0.000038      0.661618    0.00  -0.000630778   0.000001032   0.001103173
 O     -1.610205     -0.000440      2.013307    0.00  -0.000839453  -0.000000818   0.000670150
 O     -3.153742     -0.000021     -0.128022    0.00  -0.000052990  -0.000000592   0.000188048
 H     -0.146683     -2.551753     -1.465322    0.00   0.000032293   0.000001007  -0.000047502
 H     -0.146379      2.552321     -1.464608    0.00   0.000032317  -0.000000994  -0.000047532
19
 Energy =      -0.011602287174
 C      0.814962     -0.744068     -0.851986    0.00   0.000240024  -0.000005114  -0.000321685
 C      0.815055      0.744352     -0.851784    0.00   0.000240076   0.000005244  -0.000321760
 C      1.905631      1.416532     -0.124595    0.00   0.000111089  -0.000008869  -0.000117941
 C      2.873862      0.728965      0.510548    0.00  -0.000039733   0.000006006   0.000083922
 C      2.873766     -0.729310      0.510359    0.00  -0.000039752  -0.000006010   0.000083928
 C      1.905445     -1.416583     -0.124966    0.00   0.000111031   0.000008919  -0.000117904
 C     -0.128430     -1.471266     -1.474388    0.00   0.000361419   0.000009716  -0.000495468
 C     -0.128255      1.471836     -1.473976    0.00   0.000361620  -0.000009557  -0.000495708
 H      1.891107      2.506703     -0.129396    0.00   0.000010192  -0.000000963  -0.000011920
 H      3.680924      1.228809      1.044690    0.00  -0.000016468  -0.000001358   0.000018247
 H      3.680759     -1.229399      1.044374    0.00  -0.000016469   0.000001355   0.000018247
 H      1.890776     -2.506750     -0.130050    0.00   0.000010183   0.000000968  -0.000011917
 H     -0.944800     -1.046174     -2.041919    0.00   0.000037995   0.000001232  -0.000050575
 H     -0.944685      1.046997     -2.041609    0.00   0.000038016  -0.000001215  -0.000050600
 S     -1.995477      0.000047      0.670508    0.00  -0.000611471   0.000001114   0.001063698
 O     -1.623828     -0.000454      2.024585    0.00  -0.000816496  -0.000000856   0.000642458
 O     -3.154734     -0.000031     -0.125171    0.00  -0.000043306  -0.000000623   0.000174952
 H     -0.138428     -2.551605     -1.477533    0.00   0.000031013   0.000000892  -0.000044972
 H     -0.138118      2.552177     -1.476828    0.00   0.000031038  -0.000000879  -0.000045001
19
 Energy =     -0.0117165511297
 C      0.820371     -0.744059     -0.859228    0.00   0.000230784  -0.000005087  -0.000307363
 C      0.820465      0.744345     -0.859027    0.00   0.000230843   0.000005215  -0.000307446
 C      1.908027      1.416528     -0.127320    0.00   0.000106950  -0.000008575  -0.000113390
 C      2.873176      0.728969      0.512501    0.00  -0.000035486   0.000005680   0.000075432
 C      2.873079     -0.729313      0.512311    0.00  -0.000035506  -0.000005683   0.000075438
 C      1.907840     -1.416577     -0.127691    0.00   0.000106892   0.000008624  -0.000113348
 C     -0.120356     -1.471169     -1.485680    0.00   0.000348268   0.000009127  -0.000472767
 C     -0.120176      1.471742     -1.485274    0.00   0.000348480  -0.000008976  -0.000473014
 H      1.893796      2.506696     -0.132603    0.00   0.000009724  -0.000000923  -0.000011302
 H      3.677795      1.228800      1.050316    0.00  -0.000015468  -0.000001299   0.000016791
 H      3.677630     -1.229392      1.049999    0.00  -0.000015469   0.000001295   0.000016790
 H      1.893463     -2.506743     -0.133256    0.00   0.000009716   0.000000927  -0.000011298
 H     -0.935085     -1.045637     -2.055210    0.00   0.000036946   0.000001016  -0.000048423
 H     -0.934964      1.046464     -2.054908    0.00   0.000036967  -0.000001000  -0.000048446
 S     -2.000645      0.000057      0.679429    0.00  -0.000593222   0.000001196   0.001027192
 O     -1.637618     -0.000470      2.035870    0.00  -0.000795442  -0.000000894   0.000616766
 O     -3.155623     -0.000042     -0.122428    0.00  -0.000034656  -0.000000655   0.000163780
 H     -0.130176     -2.551471     -1.489577    0.00   0.000029826   0.000000798  -0.000042681
 H     -0.129860      2.552047     -1.488879    0.00   0.000029852  -0.000000786  -0.000042712
19
 Energy =     -0.0118265819846
 C      0.825782     -0.744049     -0.866417    0.00   0.000222308  -0.000005064  -0.000294301
 C      0.825878      0.744338     -0.866219    0.00   0.000222365   0.000005187  -0.000294389
 C      1.910433      1.416522     -0.130042    0.00   0.000103254  -0.000008307  -0.000109341
 C      2.872549      0.728972      0.514333    0.00  -0.000031838   0.000005421   0.000067951
 C      2.872451     -0.729316      0.514144    0.00  -0.000031858  -0.000005421   0.000067960
 C      1.910244     -1.416570     -0.130412    0.00   0.000103191   0.000008353  -0.000109298
 C     -0.112277     -1.471081     -1.496881    0.00   0.000335978   0.000008656  -0.000451844
 C     -0.112092      1.471658     -1.496481    0.00   0.000336200  -0.000008514  -0.000452100
 H      1.896473      2.506689     -0.135767    0.00   0.000009318  -0.000000888  -0.000010773
 H      3.674757      1.228791      1.055739    0.00  -0.000014589  -0.000001248   0.000015500
 H      3.674590     -1.229384      1.055422    0.00  -0.000014589   0.000001245   0.000015500
 H      1.896137     -2.506734     -0.136419    0.00   0.000009309   0.000000892  -0.000010766
 H     -0.925312     -1.045146     -2.068501    0.00   0.000035928   0.000000840  -0.000046372
 H     -0.925186      1.045978     -2.068206    0.00   0.000035952  -0.000000824  -0.000046399
 S     -2.005846      0.000068      0.688378    0.00  -0.000575736   0.000001289   0.000993099
 O     -1.651570     -0.000486      2.047159    0.00  -0.000775852  -0.000000937   0.000592663
 O     -3.156413     -0.000054     -0.119779    0.00  -0.000026808  -0.000000692   0.000154141
 H     -0.121932     -2.551349     -1.501460    0.00   0.000028720   0.000000724  -0.000040601
 H     -0.121608      2.551929     -1.500772    0.00   0.000028746  -0.000000713  -0.000040632
19
 Energy =     -0.0119326768165
 C      0.831196     -0.744038     -0.873559    0.00   0.000214445  -0.000005010  -0.000282241
 C      0.831294      0.744329     -0.873363    0.00   0.000214505   0.000005130  -0.000282334
 C      1.912849      1.416515     -0.132766    0.00   0.000099873  -0.000008062  -0.000105703
 C      2.871975      0.728974      0.516055    0.00  -0.000028673   0.000005183   0.000061309
 C      2.871877     -0.729319      0.515866    0.00  -0.000028695  -0.000005183   0.000061323
 C      1.912659     -1.416562     -0.133135    0.00   0.000099811   0.000008108  -0.000105658
 C     -0.104196     -1.471000     -1.507991    0.00   0.000324315   0.000008263  -0.000432323
 C     -0.104006      1.471582     -1.507597    0.00   0.000324549  -0.000008128  -0.000432594
 H      1.899142      2.506680     -0.138900    0.00   0.000008953  -0.000000857  -0.000010306
 H      3.671799      1.228783      1.060975    0.00  -0.000013809  -0.000001204   0.000014346
 H      3.671632     -1.229377      1.060658    0.00  -0.000013810   0.000001202   0.000014346
 H      1.898804     -2.506724     -0.139550    0.00   0.000008945   0.000000861  -0.000010302
 H     -0.915493     -1.044695     -2.081776    0.00   0.000034934   0.000000697  -0.000044422
 H     -0.915361      1.045532     -2.081489    0.00   0.000034957  -0.000000683  -0.000044446
 S     -2.011074      0.000081      0.697349    0.00  -0.000558791   0.000001395   0.000960924
 O     -1.665684     -0.000504      2.058445    0.00  -0.000757328  -0.000000987   0.000569792
 O     -3.157106     -0.000067     -0.117214    0.00  -0.000019555  -0.000000735   0.000145684
 H     -0.113697     -2.551237     -1.513192    0.00   0.000027672   0.000000664  -0.000038679
 H     -0.113365      2.551820     -1.512514    0.00   0.000027703  -0.000000654  -0.000038716
19
 Energy =     -0.0120350630759
 C      0.836615     -0.744027     -0.880657    0.00   0.000207018  -0.000004962  -0.000270947
 C      0.836715      0.744320     -0.880463    0.00   0.000207075   0.000005075  -0.000271039
 C      1.915276      1.416508     -0.135496    0.00   0.000096745  -0.000007839  -0.000102369
 C      2.871450      0.728976      0.517673    0.00  -0.000025916   0.000004993   0.000055345
 C      2.871351     -0.729321      0.517485    0.00  -0.000025939  -0.000004990   0.000055361
 C      1.915084     -1.416554     -0.135864    0.00   0.000096682   0.000007884  -0.000102321
 C     -0.096116     -1.470926     -1.519011    0.00   0.000313115   0.000007944  -0.000413901
 C     -0.095920      1.471511     -1.518625    0.00   0.000313366  -0.000007816  -0.000414189
 H      1.901809      2.506671     -0.142010    0.00   0.000008625  -0.000000831  -0.000009897
 H      3.668914      1.228775      1.066041    0.00  -0.000013110  -0.000001164   0.000013296
 H      3.668746     -1.229371      1.065724    0.00  -0.000013111   0.000001162   0.000013298
 H      1.901468     -2.506713     -0.142658    0.00   0.000008616   0.000000835  -0.000009891
 H     -0.905638     -1.044278     -2.095022    0.00   0.000033944   0.000000578  -0.000042539
 H     -0.905500      1.045119     -2.094744    0.00   0.000033970  -0.000000565  -0.000042568
 S     -2.016325      0.000095      0.706341    0.00  -0.000542169   0.000001500   0.000930211
 O     -1.679955     -0.000524      2.069726    0.00  -0.000739545  -0.000001038   0.000547851
 O     -3.157702     -0.000082     -0.114725    0.00  -0.000012735  -0.000000778   0.000138119
 H     -0.105475     -2.551132     -1.524781    0.00   0.000026669   0.000000617  -0.000036893
 H     -0.105135      2.551719     -1.524113    0.00   0.000026700  -0.000000606  -0.000036927
19
 Energy =     -0.0121339090823
 C      0.842037     -0.744015     -0.887715    0.00   0.000199909  -0.000004903  -0.000260238
 C      0.842139      0.744311     -0.887523    0.00   0.000199966   0.000005017  -0.000260332
 C      1.917715      1.416500     -0.138236    0.00   0.000093783  -0.000007634  -0.000099242
 C      2.870969      0.728978      0.519196    0.00  -0.000023486   0.000004834   0.000049921
 C      2.870870     -0.729323      0.519007    0.00  -0.000023500  -0.000004831   0.000049931
 C      1.917521     -1.416544     -0.138602    0.00   0.000093713   0.000007677  -0.000099181
 C     -0.088040     -1.470856     -1.529941    0.00   0.000302212   0.000007667  -0.000396294
 C     -0.087838      1.471445     -1.529564    0.00   0.000302486  -0.000007545  -0.000396607
 H      1.904477      2.506660     -0.145107    0.00   0.000008328  -0.000000808  -0.000009534
 H      3.666094      1.228768      1.070948    0.00  -0.000012471  -0.000001129   0.000012330
 H      3.665925     -1.229365      1.070631    0.00  -0.000012473   0.000001125   0.000012330
 H      1.904133     -2.506701     -0.145754    0.00   0.000008316   0.000000810  -0.000009525
 H     -0.895757     -1.043889     -2.108226    0.00   0.000032954   0.000000482  -0.000040721
 H     -0.895611      1.044734     -2.107958    0.00   0.000032982  -0.000000467  -0.000040751
 S     -2.021594      0.000111      0.715351    0.00  -0.000525714   0.000001609   0.000900575
 O     -1.694385     -0.000545      2.080999    0.00  -0.000722226  -0.000001092   0.000526573
 O     -3.158198     -0.000098     -0.112305    0.00  -0.000006199  -0.000000822   0.000131211
 H     -0.097269     -2.551033     -1.536231    0.00   0.000025692   0.000000578  -0.000035202
 H     -0.096920      2.551624     -1.535575    0.00   0.000025730  -0.000000569  -0.000035243
19
 Energy =     -0.0122293339066
 C      0.847464     -0.744002     -0.894734    0.00   0.000192959  -0.000004842  -0.000249887
 C      0.847568      0.744301     -0.894545    0.00   0.000193037   0.000004957  -0.000250011
 C      1.920168      1.416491     -0.140988    0.00   0.000090967  -0.000007444  -0.000096307
 C      2.870530      0.728979      0.520626    0.00  -0.000021304   0.000004689   0.000044928
 C      2.870429     -0.729324      0.520438    0.00  -0.000021331  -0.000004686   0.000044950
 C      1.919972     -1.416534     -0.141353    0.00   0.000090895   0.000007483  -0.000096251
 C     -0.079972     -1.470790     -1.540782    0.00   0.000291510   0.000007426  -0.000379335
 C     -0.079763      1.471382     -1.540413    0.00   0.000291790  -0.000007313  -0.000379646
 H      1.907150      2.506649     -0.148198    0.00   0.000008041  -0.000000786  -0.000009187
 H      3.663333      1.228761      1.075705    0.00  -0.000011882  -0.000001094   0.000011430
 H      3.663164     -1.229358      1.075388    0.00  -0.000011882   0.000001095   0.000011431
 H      1.906802     -2.506689     -0.148842    0.00   0.000008033   0.000000790  -0.000009180
 H     -0.885859     -1.043523     -2.121376    0.00   0.000031947   0.000000397  -0.000038940
 H     -0.885704      1.044372     -2.121120    0.00   0.000031977  -0.000000388  -0.000038970
 S     -2.026877      0.000128      0.724380    0.00  -0.000509291   0.000001727   0.000871703
 O     -1.708974     -0.000569      2.092260    0.00  -0.000705166  -0.000001151   0.000505697
 O     -3.158592     -0.000115     -0.109950    0.00   0.000000186  -0.000000870   0.000124795
 H     -0.089083     -2.550938     -1.547548    0.00   0.000024742   0.000000546  -0.000033591
 H     -0.088722      2.551533     -1.546906    0.00   0.000024772  -0.000000538  -0.000033628
19
 Energy =     -0.0123214166969
 C      0.852894     -0.743989     -0.901716    0.00   0.000186160  -0.000004753  -0.000239858
 C      0.853001      0.744290     -0.901530    0.00   0.000186229   0.000004861  -0.000239977
 C      1.922634      1.416482     -0.143755    0.00   0.000088202  -0.000007252  -0.000093444
 C      2.870128      0.728980      0.521969    0.00  -0.000019306   0.000004539   0.000040277
 C      2.870028     -0.729326      0.521781    0.00  -0.000019326  -0.000004530   0.000040296
 C      1.922437     -1.416524     -0.144118    0.00   0.000088128   0.000007292  -0.000093378
 C     -0.071916     -1.470725     -1.551532    0.00   0.000280856   0.000007198  -0.000362779
 C     -0.071699      1.471322     -1.551173    0.00   0.000281147  -0.000007092  -0.000363107
 H      1.909830      2.506638     -0.151290    0.00   0.000007774  -0.000000766  -0.000008874
 H      3.660630      1.228754      1.080319    0.00  -0.000011326  -0.000001067   0.000010581
 H      3.660460     -1.229352      1.080002    0.00  -0.000011327   0.000001064   0.000010582
 H      1.909479     -2.506677     -0.151931    0.00   0.000007764   0.000000769  -0.000008867
 H     -0.875953     -1.043177     -2.134462    0.00   0.000030921   0.000000328  -0.000037194
 H     -0.875790      1.044031     -2.134217    0.00   0.000030952  -0.000000316  -0.000037226
 S     -2.032169      0.000147      0.733426    0.00  -0.000492802   0.000001853   0.000843291
 O     -1.723725     -0.000595      2.103509    0.00  -0.000688148  -0.000001215   0.000485125
 O     -3.158877     -0.000135     -0.107660    0.00   0.000006463  -0.000000921   0.000118677
 H     -0.080918     -2.550848     -1.558738    0.00   0.000023802   0.000000519  -0.000032043
 H     -0.080546      2.551446     -1.558110    0.00   0.000023838  -0.000000511  -0.000032084
19
 Energy =       -0.01241020522
 C      0.858325     -0.743975     -0.908661    0.00   0.000179379  -0.000004690  -0.000230006
 C      0.858435      0.744280     -0.908478    0.00   0.000179449   0.000004796  -0.000230124
 C      1.925115      1.416474     -0.146539    0.00   0.000085495  -0.000007076  -0.000090640
 C      2.869765      0.728981      0.523225    0.00  -0.000017448   0.000004435   0.000035889
 C      2.869663     -0.729326      0.523038    0.00  -0.000017465  -0.000004427   0.000035903
 C      1.924916     -1.416514     -0.146900    0.00   0.000085414   0.000007115  -0.000090561
 C     -0.063875     -1.470663     -1.562190    0.00   0.000270207   0.000006990  -0.000346516
 C     -0.063649      1.471263     -1.561841    0.00   0.000270517  -0.000006890  -0.000346866
 H      1.912519      2.506627     -0.154386    0.00   0.000007518  -0.000000747  -0.000008572
 H      3.657981      1.228747      1.084794    0.00  -0.000010794  -0.000001037   0.000009772
 H      3.657810     -1.229347      1.084477    0.00  -0.000010796   0.000001036   0.000009774
 H      1.912165     -2.506664     -0.155024    0.00   0.000007507   0.000000750  -0.000008563
 H     -0.866049     -1.042849     -2.147471    0.00   0.000029868   0.000000267  -0.000035468
 H     -0.865876      1.043707     -2.147239    0.00   0.000029901  -0.000000256  -0.000035501
 S     -2.037469      0.000169      0.742489    0.00  -0.000476198   0.000001979   0.000815162
 O     -1.738641     -0.000623      2.114744    0.00  -0.000671046  -0.000001279   0.000464668
 O     -3.159048     -0.000156     -0.105435    0.00   0.000012730  -0.000000972   0.000112757
 H     -0.072778     -2.550760     -1.569801    0.00   0.000022861   0.000000498  -0.000030533
 H     -0.072394      2.551362     -1.569188    0.00   0.000022899  -0.000000491  -0.000030575
19
 Energy =     -0.0124957236687
 C      0.863757     -0.743962     -0.915569    0.00   0.000172598  -0.000004588  -0.000220239
 C      0.863870      0.744268     -0.915390    0.00   0.000172670   0.000004695  -0.000220365
 C      1.927612      1.416464     -0.149343    0.00   0.000082793  -0.000006900  -0.000087855
 C      2.869439      0.728982      0.524395    0.00  -0.000015668   0.000004316   0.000031711
 C      2.869336     -0.729327      0.524208    0.00  -0.000015686  -0.000004306   0.000031735
 C      1.927410     -1.416504     -0.149702    0.00   0.000082711   0.000006936  -0.000087775
 C     -0.055853     -1.470601     -1.572752    0.00   0.000259476   0.000006772  -0.000330439
 C     -0.055619      1.471205     -1.572415    0.00   0.000259811  -0.000006681  -0.000330813
 H      1.915221      2.506616     -0.157492    0.00   0.000007268  -0.000000729  -0.000008285
 H      3.655386      1.228740      1.089131    0.00  -0.000010276  -0.000001010   0.000008994
 H      3.655215     -1.229341      1.088814    0.00  -0.000010277   0.000001008   0.000008995
 H      1.914863     -2.506652     -0.158127    0.00   0.000007255   0.000000731  -0.000008275
 H     -0.856156     -1.042535     -2.160393    0.00   0.000028783   0.000000217  -0.000033755
 H     -0.855972      1.043397     -2.160175    0.00   0.000028818  -0.000000204  -0.000033790
 S     -2.042772      0.000193      0.751570    0.00  -0.000459449   0.000002113   0.000787148
 O     -1.753728     -0.000653      2.125964    0.00  -0.000653754  -0.000001350   0.000444228
 O     -3.159094     -0.000179     -0.103278    0.00   0.000019032  -0.000001026   0.000106955
 H     -0.064667     -2.550675     -1.580740    0.00   0.000021924   0.000000477  -0.000029062
 H     -0.064269      2.551281     -1.580144    0.00   0.000021970  -0.000000470  -0.000029112
19
 Energy =     -0.0125779795495
 C      0.869187     -0.743947     -0.922440    0.00   0.000165750  -0.000004497  -0.000210504
 C      0.869303      0.744257     -0.922265    0.00   0.000165833   0.000004604  -0.000210648
 C      1.930126      1.416455     -0.152168    0.00   0.000080112  -0.000006721  -0.000085090
 C      2.869151      0.728983      0.525479    0.00  -0.000013941   0.000004207   0.000027712
 C      2.869048     -0.729328      0.525293    0.00  -0.000013964  -0.000004198   0.000027739
 C      1.929921     -1.416493     -0.152524    0.00   0.000080022   0.000006756  -0.000085004
 C     -0.047856     -1.470541     -1.583216    0.00   0.000248655   0.000006559  -0.000314496
 C     -0.047611      1.471148     -1.582892    0.00   0.000249013  -0.000006474  -0.000314890
 H      1.917937      2.506604     -0.160611    0.00   0.000007017  -0.000000710  -0.000007995
 H      3.652849      1.228734      1.093330    0.00  -0.000009762  -0.000000982   0.000008240
 H      3.652676     -1.229335      1.093013    0.00  -0.000009763   0.000000981   0.000008243
 H      1.917574     -2.506639     -0.161242    0.00   0.000007004   0.000000713  -0.000007985
 H     -0.846284     -1.042234     -2.173216    0.00   0.000027667   0.000000168  -0.000032054
 H     -0.846087      1.043100     -2.173013    0.00   0.000027706  -0.000000158  -0.000032091
 S     -2.048077      0.000219      0.760669    0.00  -0.000442538   0.000002253   0.000759128
 O     -1.768992     -0.000687      2.137168    0.00  -0.000636209  -0.000001424   0.000423719
 O     -3.159007     -0.000204     -0.101194    0.00   0.000025393  -0.000001083   0.000101236
 H     -0.056589     -2.550592     -1.591553    0.00   0.000020980   0.000000458  -0.000027606
 H     -0.056175      2.551202     -1.590976    0.00   0.000021024  -0.000000453  -0.000027655
19
 Energy =     -0.0126569697834
 C      0.874614     -0.743933     -0.929271    0.00   0.000158842  -0.000004392  -0.000200787
 C      0.874733      0.744245     -0.929100    0.00   0.000158928   0.000004497  -0.000200940
 C      1.932657      1.416446     -0.155015    0.00   0.000077410  -0.000006539  -0.000082296
 C      2.868904      0.728983      0.526474    0.00  -0.000012230   0.000004096   0.000023856
 C      2.868800     -0.729328      0.526289    0.00  -0.000012253  -0.000004084   0.000023886
 C      1.932449     -1.416483     -0.155368    0.00   0.000077315   0.000006572  -0.000082203
 C     -0.039888     -1.470481     -1.593578    0.00   0.000237705   0.000006337  -0.000298622
 C     -0.039632      1.471092     -1.593268    0.00   0.000238085  -0.000006258  -0.000299037
 H      1.920668      2.506593     -0.163746    0.00   0.000006770  -0.000000691  -0.000007712
 H      3.650371      1.228727      1.097387    0.00  -0.000009249  -0.000000954   0.000007507
 H      3.650198     -1.229329      1.097071    0.00  -0.000009250   0.000000954   0.000007509
 H      1.920300     -2.506626     -0.164373    0.00   0.000006757   0.000000694  -0.000007700
 H     -0.836442     -1.041944     -2.185927    0.00   0.000026522   0.000000125  -0.000030363
 H     -0.836233      1.042814     -2.185741    0.00   0.000026562  -0.000000116  -0.000030401
 S     -2.053381      0.000249      0.769789    0.00  -0.000425498   0.000002401   0.000731043
 O     -1.784442     -0.000724      2.148355    0.00  -0.000618356  -0.000001502   0.000403092
 O     -3.158774     -0.000232     -0.099189    0.00   0.000031832  -0.000001145   0.000095563
 H     -0.048547     -2.550511     -1.602239    0.00   0.000020031   0.000000441  -0.000026171
 H     -0.048116      2.551124     -1.601683    0.00   0.000020078  -0.000000436  -0.000026223
19
 Energy =     -0.0127326859931
 C      0.880033     -0.743919     -0.936059    0.00   0.000151852  -0.000004280  -0.000191059
 C      0.880157      0.744233     -0.935893    0.00   0.000151945   0.000004385  -0.000191223
 C      1.935206      1.416437     -0.157887    0.00   0.000074692  -0.000006348  -0.000079475
 C      2.868701      0.728983      0.527378    0.00  -0.000010512   0.000003982   0.000020122
 C      2.868596     -0.729328      0.527194    0.00  -0.000010537  -0.000003968   0.000020156
 C      1.934995     -1.416473     -0.158237    0.00   0.000074593   0.000006381  -0.000079374
 C     -0.031956     -1.470422     -1.603831    0.00   0.000226627   0.000006105  -0.000282802
 C     -0.031687      1.471037     -1.603536    0.00   0.000227029  -0.000006034  -0.000283239
 H      1.923416      2.506581     -0.166900    0.00   0.000006523  -0.000000672  -0.000007428
 H      3.647959      1.228720      1.101299    0.00  -0.000008731  -0.000000925   0.000006792
 H      3.647785     -1.229323      1.100983    0.00  -0.000008732   0.000000925   0.000006795
 H      1.923043     -2.506613     -0.167521    0.00   0.000006509   0.000000674  -0.000007417
 H     -0.826643     -1.041665     -2.198515    0.00   0.000025345   0.000000086  -0.000028678
 H     -0.826418      1.042539     -2.198347    0.00   0.000025389  -0.000000078  -0.000028719
 S     -2.058682      0.000281      0.778929    0.00  -0.000408360   0.000002551   0.000702852
 O     -1.800088     -0.000765      2.159524    0.00  -0.000600181  -0.000001583   0.000382315
 O     -3.158383     -0.000263     -0.097270    0.00   0.000038350  -0.000001205   0.000089937
 H     -0.040548     -2.550431     -1.612796    0.00   0.000019075   0.000000424  -0.000024751
 H     -0.040098      2.551048     -1.612263    0.00   0.000019124  -0.000000419  -0.000024805
19
 Energy =     -0.0128051186214
 C      0.885443     -0.743904     -0.942803    0.00   0.000144783  -0.000004163  -0.000181311
 C      0.885571      0.744221     -0.942642    0.00   0.000144881   0.000004268  -0.000181491
 C      1.937775      1.416428     -0.160785    0.00   0.000071967  -0.000006150  -0.000076631
 C      2.868546      0.728984      0.528187    0.00  -0.000008774   0.000003863   0.000016511
 C      2.868439     -0.729328      0.528004    0.00  -0.000008799  -0.000003849   0.000016545
 C      1.937560     -1.416462     -0.161131    0.00   0.000071857   0.000006183  -0.000076521
 C     -0.024065     -1.470364     -1.613969    0.00   0.000215431   0.000005861  -0.000267045
 C     -0.023782      1.470982     -1.613691    0.00   0.000215853  -0.000005797  -0.000267496
 H      1.926183      2.506570     -0.170074    0.00   0.000006275  -0.000000651  -0.000007142
 H      3.645619      1.228714      1.105058    0.00  -0.000008205  -0.000000894   0.000006095
 H      3.645444     -1.229318      1.104743    0.00  -0.000008206   0.000000895   0.000006098
 H      1.925804     -2.506601     -0.170689    0.00   0.000006261   0.000000654  -0.000007130
 H     -0.816896     -1.041395     -2.210965    0.00   0.000024141   0.000000049  -0.000027003
 H     -0.816655      1.042273     -2.210817    0.00   0.000024188  -0.000000044  -0.000027047
 S     -2.063980      0.000318      0.788090    0.00  -0.000391172   0.000002704   0.000674544
 O     -1.815939     -0.000810      2.170675    0.00  -0.000581689  -0.000001667   0.000361377
 O     -3.157819     -0.000297     -0.095445    0.00   0.000044935  -0.000001268   0.000084381
 H     -0.032596     -2.550353     -1.623219    0.00   0.000018112   0.000000407  -0.000023340
 H     -0.032126      2.550973     -1.622711    0.00   0.000018160  -0.000000403  -0.000023395
19
 Energy =     -0.0128742615862
 C      0.890840     -0.743889     -0.949497    0.00   0.000137657  -0.000004029  -0.000171574
 C      0.890973      0.744209     -0.949342    0.00   0.000137756   0.000004133  -0.000171757
 C      1.940366      1.416420     -0.163709    0.00   0.000069209  -0.000005937  -0.000073727
 C      2.868445      0.728984      0.528895    0.00  -0.000006990   0.000003740   0.000012996
 C      2.868337     -0.729328      0.528713    0.00  -0.000007019  -0.000003718   0.000013040
 C      1.940147     -1.416452     -0.164051    0.00   0.000069102   0.000005968  -0.000073614
 C     -0.016222     -1.470307     -1.623984    0.00   0.000204123   0.000005606  -0.000251337
 C     -0.015924      1.470929     -1.623726    0.00   0.000204570  -0.000005550  -0.000251818
 H      1.928970      2.506559     -0.173269    0.00   0.000006029  -0.000000630  -0.000006860
 H      3.643361      1.228707      1.108657    0.00  -0.000007668  -0.000000864   0.000005415
 H      3.643184     -1.229312      1.108342    0.00  -0.000007670   0.000000864   0.000005418
 H      1.928585     -2.506588     -0.173878    0.00   0.000006013   0.000000632  -0.000006846
 H     -0.807213     -1.041135     -2.223264    0.00   0.000022913   0.000000018  -0.000025342
 H     -0.806955      1.042016     -2.223138    0.00   0.000022962  -0.000000011  -0.000025386
 S     -2.069272      0.000358      0.797275    0.00  -0.000374016   0.000002865   0.000646158
 O     -1.832009     -0.000860      2.181805    0.00  -0.000562885  -0.000001758   0.000340285
 O     -3.157066     -0.000335     -0.093725    0.00   0.000051571  -0.000001332   0.000078902
 H     -0.024699     -2.550277     -1.633501    0.00   0.000017145   0.000000389  -0.000021946
 H     -0.024206      2.550901     -1.633021    0.00   0.000017200  -0.000000386  -0.000022006
19
 Energy =     -0.0129401143033
 C      0.896219     -0.743874     -0.956137    0.00   0.000130471  -0.000003888  -0.000161827
 C      0.896358      0.744197     -0.955988    0.00   0.000130581   0.000003991  -0.000162030
 C      1.942980      1.416411     -0.166662    0.00   0.000066456  -0.000005710  -0.000070808
 C      2.868404      0.728984      0.529497    0.00  -0.000005166   0.000003607   0.000009598
 C      2.868294     -0.729327      0.529317    0.00  -0.000005194  -0.000003585   0.000009643
 C      1.942757     -1.416442     -0.166999    0.00   0.000066338   0.000005741  -0.000070684
 C     -0.008436     -1.470251     -1.633868    0.00   0.000192740   0.000005337  -0.000235733
 C     -0.008122      1.470876     -1.633631    0.00   0.000193217  -0.000005286  -0.000236239
 H      1.931780      2.506547     -0.176488    0.00   0.000005781  -0.000000606  -0.000006572
 H      3.641194      1.228701      1.112084    0.00  -0.000007120  -0.000000829   0.000004754
 H      3.641016     -1.229306      1.111770    0.00  -0.000007120   0.000000830   0.000004757
 H      1.931387     -2.506575     -0.177090    0.00   0.000005764   0.000000609  -0.000006556
 H     -0.797609     -1.040883     -2.235395    0.00   0.000021666  -0.000000011  -0.000023697
 H     -0.797331      1.041768     -2.235294    0.00   0.000021716   0.000000018  -0.000023744
 S     -2.074558      0.000403      0.806484    0.00  -0.000356934   0.000003036   0.000617701
 O     -1.848310     -0.000915      2.192913    0.00  -0.000543828  -0.000001855   0.000319053
 O     -3.156107     -0.000376     -0.092121    0.00   0.000058226  -0.000001401   0.000073577
 H     -0.016863     -2.550203     -1.643636    0.00   0.000016173   0.000000371  -0.000020565
 H     -0.016345      2.550830     -1.643187    0.00   0.000016232  -0.000000368  -0.000020628
19
 Energy =     -0.0130026843941
 C      0.901577     -0.743859     -0.962717    0.00   0.000123268  -0.000003739  -0.000152128
 C      0.901722      0.744184     -0.962576    0.00   0.000123383   0.000003845  -0.000152340
 C      1.945619      1.416402     -0.169644    0.00   0.000063702  -0.000005469  -0.000067865
 C      2.868430      0.728984      0.529985    0.00  -0.000003289   0.000003455   0.000006318
 C      2.868319     -0.729327      0.529806    0.00  -0.000003321  -0.000003432   0.000006369
 C      1.945391     -1.416432     -0.169976    0.00   0.000063574   0.000005501  -0.000067731
 C     -0.000716     -1.470196     -1.643610    0.00   0.000181313   0.000005060  -0.000220255
 C     -0.000382      1.470825     -1.643396    0.00   0.000181821  -0.000005015  -0.000220792
 H      1.934613      2.506536     -0.179732    0.00   0.000005535  -0.000000582  -0.000006285
 H      3.639132      1.228694      1.115328    0.00  -0.000006559  -0.000000792   0.000004113
 H      3.638953     -1.229300      1.115016    0.00  -0.000006559   0.000000793   0.000004118
 H      1.934213     -2.506562     -0.180325    0.00   0.000005516   0.000000584  -0.000006266
 H     -0.788098     -1.040640     -2.247342    0.00   0.000020398  -0.000000039  -0.000022067
 H     -0.787797      1.041529     -2.247268    0.00   0.000020453   0.000000044  -0.000022116
 S     -2.079837      0.000453      0.815718    0.00  -0.000340011   0.000003210   0.000589249
 O     -1.864857     -0.000976      2.203995    0.00  -0.000524557  -0.000001958   0.000297697
 O     -3.154925     -0.000422     -0.090643    0.00   0.000064870  -0.000001469   0.000068445
 H     -0.009097     -2.550130     -1.653614    0.00   0.000015200   0.000000352  -0.000019197
 H     -0.008551      2.550761     -1.653199    0.00   0.000015265  -0.000000350  -0.000019267
19
 Energy =     -0.0130619893096
 C      0.906910     -0.743844     -0.969232    0.00   0.000116065  -0.000003571  -0.000142469
 C      0.907062      0.744172     -0.969099    0.00   0.000116188   0.000003682  -0.000142702
 C      1.948287      1.416394     -0.172657    0.00   0.000060957  -0.000005213  -0.000064915
 C      2.868534      0.728983      0.530351    0.00  -0.000001358   0.000003303   0.000003153
 C      2.868421     -0.729326      0.530175    0.00  -0.000001389  -0.000003275   0.000003212
 C      1.948053     -1.416421     -0.172982    0.00   0.000060816   0.000005241  -0.000064765
 C      0.006929     -1.470142     -1.653198    0.00   0.000169881   0.000004762  -0.000204952
 C      0.007284      1.470775     -1.653010    0.00   0.000170425  -0.000004725  -0.000205521
 H      1.937474      2.506525     -0.183001    0.00   0.000005287  -0.000000555  -0.000005991
 H      3.637189      1.228688      1.118375    0.00  -0.000005988  -0.000000753   0.000003500
 H      3.637007     -1.229293      1.118064    0.00  -0.000005989   0.000000755   0.000003504
 H      1.937063     -2.506549     -0.183584    0.00   0.000005267   0.000000557  -0.000005975
 H     -0.778695     -1.040405     -2.259084    0.00   0.000019118  -0.000000059  -0.000020463
 H     -0.778369      1.041298     -2.259041    0.00   0.000019175   0.000000066  -0.000020513
 S     -2.085107      0.000509      0.824977    0.00  -0.000323353   0.000003396   0.000560880
 O     -1.881666     -0.001045      2.215049    0.00  -0.000505115  -0.000002066   0.000276241
 O     -3.153499     -0.000472     -0.089306    0.00   0.000071478  -0.000001544   0.000063560
 H     -0.001412     -2.550060     -1.663423    0.00   0.000014232   0.000000332  -0.000017854
 H     -0.000833      2.550694     -1.663047    0.00   0.000014303  -0.000000331  -0.000017930
19
 Energy =     -0.0131180576806
 C      0.912211     -0.743829     -0.975673    0.00   0.000108916  -0.000003391  -0.000132927
 C      0.912371      0.744160     -0.975550    0.00   0.000109036   0.000003508  -0.000133156
 C      1.950986      1.416385     -0.175702    0.00   0.000058215  -0.000004934  -0.000061951
 C      2.868726      0.728983      0.530587    0.00   0.000000624   0.000003119   0.000000124
 C      2.868610     -0.729325      0.530413    0.00   0.000000593  -0.000003089   0.000000194
 C      1.950745     -1.416411     -0.176019    0.00   0.000058068   0.000004962  -0.000061793
 C      0.014487     -1.470091     -1.662617    0.00   0.000158472   0.000004452  -0.000189848
 C      0.014867      1.470727     -1.662459    0.00   0.000159065  -0.000004423  -0.000190467
 H      1.940363      2.506514     -0.186297    0.00   0.000005047  -0.000000529  -0.000005707
 H      3.635381      1.228682      1.121210    0.00  -0.000005401  -0.000000711   0.000002906
 H      3.635197     -1.229287      1.120901    0.00  -0.000005406   0.000000713   0.000002912
 H      1.939942     -2.506536     -0.186869    0.00   0.000005026   0.000000528  -0.000005686
 H     -0.769419     -1.040179     -2.270600    0.00   0.000017829  -0.000000075  -0.000018891
 H     -0.769064      1.041076     -2.270591    0.00   0.000017894   0.000000082  -0.000018946
 S     -2.090368      0.000572      0.834260    0.00  -0.000307034   0.000003593   0.000532672
 O     -1.898754     -0.001121      2.226070    0.00  -0.000485574  -0.000002184   0.000254706
 O     -3.151808     -0.000529     -0.088121    0.00   0.000078017  -0.000001622   0.000058994
 H      0.006183     -2.549992     -1.673051    0.00   0.000013269   0.000000310  -0.000016529
 H      0.006798      2.550630     -1.672719    0.00   0.000013343  -0.000000310  -0.000016607
19
 Energy =      -0.013170930002
 C      0.917476     -0.743814     -0.982032    0.00   0.000101791  -0.000003193  -0.000123476
 C      0.917645      0.744148     -0.981920    0.00   0.000101930   0.000003314  -0.000123742
 C      1.953719      1.416377     -0.178780    0.00   0.000055549  -0.000004637  -0.000059008
 C      2.869016      0.728983      0.530682    0.00   0.000002640   0.000002946  -0.000002761
 C      2.868898     -0.729324      0.530511    0.00   0.000002602  -0.000002913  -0.000002688
 C      1.953471     -1.416401     -0.179089    0.00   0.000055389   0.000004665  -0.000058836
 C      0.021946     -1.470041     -1.671852    0.00   0.000147165   0.000004136  -0.000175036
 C      0.022353      1.470681     -1.671728    0.00   0.000147797  -0.000004114  -0.000175687
 H      1.943285      2.506502     -0.189621    0.00   0.000004806  -0.000000496  -0.000005415
 H      3.633727      1.228675      1.123815    0.00  -0.000004807  -0.000000666   0.000002343
 H      3.633541     -1.229281      1.123509    0.00  -0.000004809   0.000000668   0.000002348
 H      1.942852     -2.506523     -0.190179    0.00   0.000004783   0.000000497  -0.000005394
 H     -0.760290     -1.039961     -2.281865    0.00   0.000016539  -0.000000094  -0.000017348
 H     -0.759902      1.040862     -2.281896    0.00   0.000016608   0.000000099  -0.000017407
 S     -2.095620      0.000643      0.843568    0.00  -0.000291115   0.000003794   0.000504661
 O     -1.916140     -0.001207      2.237051    0.00  -0.000465999  -0.000002303   0.000233166
 O     -3.149832     -0.000592     -0.087103    0.00   0.000084426  -0.000001703   0.000054820
 H      0.013674     -2.549926     -1.682481    0.00   0.000012314   0.000000289  -0.000015228
 H      0.014331      2.550568     -1.682199    0.00   0.000012392  -0.000000289  -0.000015311
19
 Energy =     -0.0132206589656
 C      0.922697     -0.743799     -0.988300    0.00   0.000094786  -0.000002984  -0.000114198
 C      0.922877      0.744136     -0.988200    0.00   0.000094926   0.000003103  -0.000114481
 C      1.956491      1.416368     -0.181892    0.00   0.000052916  -0.000004317  -0.000056076
 C      2.869420      0.728983      0.530625    0.00   0.000004703   0.000002750  -0.000005501
 C      2.869299     -0.729322      0.530457    0.00   0.000004661  -0.000002712  -0.000005424
 C      1.956234     -1.416390     -0.182192    0.00   0.000052740   0.000004347  -0.000055891
 C      0.029291     -1.469993     -1.680884    0.00   0.000135973   0.000003808  -0.000160524
 C      0.029730      1.470638     -1.680798    0.00   0.000136655  -0.000003789  -0.000161218
 H      1.946243      2.506491     -0.192973    0.00   0.000004572  -0.000000463  -0.000005129
 H      3.632248      1.228669      1.126171    0.00  -0.000004204  -0.000000618   0.000001808
 H      3.632059     -1.229274      1.125867    0.00  -0.000004206   0.000000620   0.000001816
 H      1.945796     -2.506510     -0.193516    0.00   0.000004547   0.000000465  -0.000005106
 H     -0.751329     -1.039752     -2.292851    0.00   0.000015250  -0.000000105  -0.000015847
 H     -0.750905      1.040656     -2.292926    0.00   0.000015324   0.000000108  -0.000015912
 S     -2.100860      0.000722      0.852897    0.00  -0.000275714   0.000004010   0.000476968
 O     -1.933844     -0.001304      2.247985    0.00  -0.000446446  -0.000002436   0.000211628
 O     -3.147546     -0.000662     -0.086267    0.00   0.000090690  -0.000001789   0.000051092
 H      0.021048     -2.549864     -1.691696    0.00   0.000011372   0.000000267  -0.000013958
 H      0.021752      2.550509     -1.691472    0.00   0.000011456  -0.000000266  -0.000014046
19
 Energy =     -0.0132673095053
 C      0.927870     -0.743784     -0.994466    0.00   0.000087910  -0.000002750  -0.000105104
 C      0.928061      0.744125     -0.994380    0.00   0.000088066   0.000002880  -0.000105411
 C      1.959307      1.416360     -0.185041    0.00   0.000050340  -0.000003977  -0.000053188
 C      2.869952      0.728982      0.530402    0.00   0.000006800   0.000002533  -0.000008084
 C      2.869828     -0.729321      0.530238    0.00   0.000006758  -0.000002492  -0.000007999
 C      1.959040     -1.416379     -0.185330    0.00   0.000050151   0.000004006  -0.000052986
 C      0.036506     -1.469948     -1.689691    0.00   0.000124947   0.000003466  -0.000146368
 C      0.036981      1.470597     -1.689649    0.00   0.000125676  -0.000003455  -0.000147108
 H      1.949241      2.506480     -0.196356    0.00   0.000004343  -0.000000428  -0.000004846
 H      3.630969      1.228662      1.128255    0.00  -0.000003593  -0.000000566   0.000001308
 H      3.630777     -1.229267      1.127954    0.00  -0.000003595   0.000000569   0.000001315
 H      1.948778     -2.506497     -0.196881    0.00   0.000004316   0.000000430  -0.000004820
 H     -0.742563     -1.039551     -2.303527    0.00   0.000013967  -0.000000111  -0.000014392
 H     -0.742096      1.040460     -2.303652    0.00   0.000014046   0.000000114  -0.000014460
 S     -2.106090      0.000812      0.862246    0.00  -0.000260904   0.000004236   0.000449668
 O     -1.951884     -0.001413      2.258864    0.00  -0.000426984  -0.000002577   0.000190127
 O     -3.144927     -0.000742     -0.085629    0.00   0.000096772  -0.000001877   0.000047882
 H      0.028288     -2.549803     -1.700675    0.00   0.000010447   0.000000243  -0.000012720
 H      0.029046      2.550452     -1.700515    0.00   0.000010537  -0.000000244  -0.000012815
19
 Energy =     -0.0133109585843
 C      0.932985     -0.743769     -1.000516    0.00   0.000081191  -0.000002502  -0.000096226
 C      0.933189      0.744114     -1.000446    0.00   0.000081357   0.000002639  -0.000096556
 C      1.962172      1.416352     -0.188228    0.00   0.000047842  -0.000003615  -0.000050341
 C      2.870630      0.728982      0.530001    0.00   0.000008926   0.000002308  -0.000010508
 C      2.870502     -0.729319      0.529841    0.00   0.000008880  -0.000002264  -0.000010414
 C      1.961894     -1.416369     -0.188503    0.00   0.000047638   0.000003646  -0.000050122
 C      0.043572     -1.469905     -1.698250    0.00   0.000114133   0.000003115  -0.000132612
 C      0.044089      1.470558     -1.698257    0.00   0.000114918  -0.000003111  -0.000133405
 H      1.952285      2.506469     -0.199770    0.00   0.000004124  -0.000000391  -0.000004570
 H      3.629918      1.228656      1.130042    0.00  -0.000002976  -0.000000511   0.000000839
 H      3.629721     -1.229260      1.129746    0.00  -0.000002979   0.000000515   0.000000848
 H      1.951804     -2.506483     -0.200275    0.00   0.000004095   0.000000392  -0.000004542
 H     -0.734019     -1.039359     -2.313856    0.00   0.000012695  -0.000000111  -0.000012985
 H     -0.733504      1.040271     -2.314039    0.00   0.000012781   0.000000115  -0.000013057
 S     -2.111307      0.000913      0.871610    0.00  -0.000246768   0.000004483   0.000422845
 O     -1.970284     -0.001537      2.269675    0.00  -0.000407676  -0.000002732   0.000168691
 O     -3.141950     -0.000831     -0.085205    0.00   0.000102641  -0.000001972   0.000045253
 H      0.035376     -2.549746     -1.709393    0.00   0.000009540   0.000000218  -0.000011518
 H      0.036195      2.550399     -1.709308    0.00   0.000009637  -0.000000220  -0.000011619
19
 Energy =     -0.0133516947569
 C      0.938034     -0.743754     -1.006436    0.00   0.000074666  -0.000002233  -0.000087596
 C      0.938254      0.744103     -1.006385    0.00   0.000074836   0.000002377  -0.000087948
 C      1.965093      1.416344     -0.191454    0.00   0.000045435  -0.000003233  -0.000047554
 C      2.871475      0.728982      0.529404    0.00   0.000011076   0.000002069  -0.000012770
 C      2.871342     -0.729317      0.529249    0.00   0.000011026  -0.000002018  -0.000012664
 C      1.964802     -1.416358     -0.191714    0.00   0.000045210   0.000003264  -0.000047318
 C      0.050469     -1.469864     -1.706530    0.00   0.000103565   0.000002755  -0.000119293
 C      0.051034      1.470522     -1.706594    0.00   0.000104415  -0.000002757  -0.000120144
 H      1.955381      2.506458     -0.203216    0.00   0.000003913  -0.000000352  -0.000004298
 H      3.629124      1.228650      1.131506    0.00  -0.000002356  -0.000000454   0.000000407
 H      3.628923     -1.229253      1.131214    0.00  -0.000002360   0.000000458   0.000000416
 H      1.954878     -2.506470     -0.203697    0.00   0.000003881   0.000000353  -0.000004268
 H     -0.725730     -1.039174     -2.323796    0.00   0.000011439  -0.000000108  -0.000011630
 H     -0.725160      1.040091     -2.324045    0.00   0.000011533   0.000000110  -0.000011709
 S     -2.116512      0.001029      0.880983    0.00  -0.000233394   0.000004745   0.000396582
 O     -1.989064     -0.001679      2.280404    0.00  -0.000388577  -0.000002901   0.000147342
 O     -3.138588     -0.000931     -0.085013    0.00   0.000108275  -0.000002073   0.000043260
 H      0.042290     -2.549691     -1.717822    0.00   0.000008657   0.000000192  -0.000010354
 H      0.043181      2.550349     -1.717822    0.00   0.000008760  -0.000000195  -0.000010462
19
 Energy =     -0.0133896176308
 C      0.943009     -0.743739     -1.012208    0.00   0.000068351  -0.000001948  -0.000079234
 C      0.943247      0.744092     -1.012179    0.00   0.000068542   0.000002098  -0.000079617
 C      1.968078      1.416336     -0.194721    0.00   0.000043124  -0.000002830  -0.000044841
 C      2.872508      0.728982      0.528594    0.00   0.000013242   0.000001814  -0.000014864
 C      2.872370     -0.729315      0.528446    0.00   0.000013188  -0.000001760  -0.000014752
 C      1.967772     -1.416346     -0.194964    0.00   0.000042882   0.000002863  -0.000044582
 C      0.057173     -1.469826     -1.714499    0.00   0.000093287   0.000002390  -0.000106441
 C      0.057793      1.470489     -1.714630    0.00   0.000094201  -0.000002395  -0.000107359
 H      1.958536      2.506447     -0.206697    0.00   0.000003710  -0.000000310  -0.000004033
 H      3.628624      1.228643      1.132613    0.00  -0.000001736  -0.000000393   0.000000010
 H      3.628417     -1.229246      1.132327    0.00  -0.000001740   0.000000398   0.000000020
 H      1.958009     -2.506456     -0.207150    0.00   0.000003676   0.000000311  -0.000004001
 H     -0.717734     -1.038998     -2.333298    0.00   0.000010205  -0.000000099  -0.000010330
 H     -0.717099      1.039919     -2.333625    0.00   0.000010304   0.000000102  -0.000010414
 S     -2.121704      0.001161      0.890357    0.00  -0.000220845   0.000005028   0.000370949
 O     -2.008248     -0.001841      2.291033    0.00  -0.000369746  -0.000003084   0.000126112
 O     -3.134815     -0.001046     -0.085070    0.00   0.000113645  -0.000002183   0.000041960
 H      0.049007     -2.549639     -1.725928    0.00   0.000007799   0.000000167  -0.000009232
 H      0.049980      2.550301     -1.726027    0.00   0.000007912  -0.000000170  -0.000009350
