 20
 Energy -2240.63380729  Dipole 4.407616 Gradient 0.00005410
 C    0.00000000   0.00000000   0.00000000
 C    1.35092359   0.00000000   0.00000000
 S    2.45973810  -1.39147978  -0.10801055
 S    2.44201064  -2.23859013   1.80549042
 S    0.83674235  -3.60781025   1.76679231
 S   -0.84247785  -2.33318538   1.84096256
 S   -0.99609199  -1.51233256  -0.07218298
 H    1.86143648   0.97118792   0.00000000
 C   -0.79205939   1.28174087  -0.03093338
 C   -1.63630975   1.44848303  -1.30842691
 H   -1.46339839   1.30478070   0.84715877
 H   -0.11526574   2.14867643   0.04465284
 C   -2.33018235   2.81651403  -1.35918215
 H   -0.98206145   1.33782537  -2.19325594
 H   -2.39827060   0.65209864  -1.37134131
 H   -3.02451858   2.82048752  -2.22741369
 H   -2.95576113   2.93345429  -0.45572249
 N   -1.33833750   3.90282834  -1.36105266
 H   -0.89240451   3.94673745  -2.28416261
 H   -1.81600452   4.80198605  -1.24466915
 20
 Energy -2240.633805059  Dipole 4.408847 Gradient 0.00005718
 C    0.00000000   0.00000000   0.00000000
 C    1.35094028   0.00000000   0.00000000
 S    2.46096741  -1.38956138  -0.11496002
 S    2.44842815  -2.24776825   1.79348034
 S    0.84338317  -3.61705830   1.74884477
 S   -0.83474219  -2.34229330   1.83703921
 S   -0.99821083  -1.51081279  -0.07082351
 H    1.86095425   0.97143756   0.00000000
 C   -0.79040475   1.28265544  -0.03870700
 C   -1.62388024   1.44571534  -1.32379581
 H   -1.46803054   1.30999531   0.83426692
 H   -0.11215543   2.14851155   0.03708507
 C   -2.30107940   2.82086605  -1.39447188
 H   -0.96478562   1.31836607  -2.20273645
 H   -2.39460017   0.65762117  -1.38402751
 H   -2.99486027   2.82010346  -2.26329499
 H   -2.92601489   2.95885121  -0.49346786
 N   -1.29727222   3.89616857  -1.41249600
 H   -0.85110372   3.92194685  -2.33611270
 H   -1.76429664   4.80226322  -1.30798680
 20
 Energy -2240.633770515  Dipole 4.431494 Gradient 0.00008085
 C    0.00000000   0.00000000   0.00000000
 C    1.35105320   0.00000000   0.00000000
 S    2.46240660  -1.38763961  -0.12246597
 S    2.45639178  -2.25892281   1.77993722
 S    0.85060773  -3.62721022   1.72963539
 S   -0.82536902  -2.35124993   1.83365591
 S   -1.00022301  -1.50920408  -0.06856378
 H    1.86040163   0.97180993   0.00000000
 C   -0.78935561   1.28317864  -0.04580849
 C   -1.61285357   1.44455899  -1.33807221
 H   -1.47274292   1.31432314   0.82233971
 H   -0.11008529   2.14831833   0.03034041
 C   -2.26209977   2.83231951  -1.43067241
 H   -0.95077265   1.29441270  -2.21120310
 H   -2.39760019   0.67018655  -1.39389467
 H   -2.94664174   2.83627975  -2.30656171
 H   -2.89296061   2.99345609  -0.53778157
 N   -1.23459762   3.88476524  -1.44993045
 H   -0.77784825   3.88941130  -2.36876005
 H   -1.68255050   4.80219490  -1.36165159
 20
 Energy -2240.633726227  Dipole 4.438700 Gradient 0.00010292
 C    0.00000000   0.00000000   0.00000000
 C    1.35117006   0.00000000   0.00000000
 S    2.46455950  -1.38483012  -0.13109670
 S    2.46415005  -2.27361592   1.76301850
 S    0.85796530  -3.64087412   1.70316718
 S   -0.81560196  -2.36412723   1.82715614
 S   -1.00289207  -1.50711146  -0.06721086
 H    1.85972261   0.97223361   0.00000000
 C   -0.78768459   1.28407922  -0.05408233
 C   -1.60445842   1.43970778  -1.35168400
 H   -1.47453775   1.32179921   0.81089909
 H   -0.10645165   2.14811960   0.01815577
 C   -2.22976187   2.83672945  -1.46729931
 H   -0.94175525   1.26661616  -2.22008433
 H   -2.40133458   0.67737798  -1.39968377
 H   -2.91424511   2.83823736  -2.34322179
 H   -2.85731456   3.02400896  -0.57717489
 N   -1.18351862   3.87004989  -1.50411149
 H   -0.72657468   3.85080234  -2.42264297
 H   -1.61464677   4.79683849  -1.43131066
 20
 Energy -2240.633651637  Dipole 4.445920 Gradient 0.00013670
 C    0.00000000   0.00000000   0.00000000
 C    1.35127561   0.00000000   0.00000000
 S    2.46657391  -1.38194634  -0.14006832
 S    2.47263917  -2.28762859   1.74585896
 S    0.86630782  -3.65426143   1.67685004
 S   -0.80505980  -2.37717149   1.82076226
 S   -1.00521238  -1.50528103  -0.06544633
 H    1.85899682   0.97268493   0.00000000
 C   -0.78636679   1.28467001  -0.06241122
 C   -1.59766002   1.43314556  -1.36464126
 H   -1.47573394   1.32963707   0.80006324
 H   -0.10318984   2.14771526   0.00463332
 C   -2.19925379   2.83847297  -1.50439121
 H   -0.93538879   1.23644870  -2.22834139
 H   -2.40640222   0.68296716  -1.40365908
 H   -2.88352308   2.83657405  -2.38046762
 H   -2.82347479   3.05212122  -0.61787197
 N   -1.13503517   3.85239040  -1.55887496
 H   -0.67835821   3.80909869  -2.47670400
 H   -1.54950108   4.78784541  -1.50203423
 20
 Energy -2240.63359141  Dipole 4.451157 Gradient 0.00016393
 C    0.00000000   0.00000000   0.00000000
 C    1.35136741   0.00000000   0.00000000
 S    2.46859057  -1.37900836  -0.14973159
 S    2.48056593  -2.30277254   1.72721353
 S    0.87422705  -3.66861222   1.64759609
 S   -0.79444437  -2.39122922   1.81333022
 S   -1.00853913  -1.50274365  -0.06362469
 H    1.85831951   0.97308449   0.00000000
 C   -0.78454665   1.28556651  -0.07087578
 C   -1.59142999   1.42709317  -1.37704144
 H   -1.47589816   1.33815112   0.78942005
 H   -0.09906492   2.14730721  -0.00962956
 C   -2.16958780   2.83985304  -1.53900110
 H   -0.93063297   1.20779502  -2.23641311
 H   -2.41169422   0.68920909  -1.40719894
 H   -2.85422507   2.83546745  -2.41476760
 H   -2.78942371   3.07877040  -0.65590810
 N   -1.08781707   3.83395609  -1.61066836
 H   -0.63200237   3.76688767  -2.52749921
 H   -1.48560013   4.77742606  -1.56966946
 20
 Energy -2240.633504005  Dipole 4.456594 Gradient 0.00018927
 C    0.00000000   0.00000000   0.00000000
 C    1.35149912   0.00000000   0.00000000
 S    2.47075384  -1.37584104  -0.15947397
 S    2.48875591  -2.31870703   1.70776961
 S    0.88178404  -3.68307446   1.61714671
 S   -0.78391865  -2.40551030   1.80526859
 S   -1.01166656  -1.50028283  -0.06203202
 H    1.85741496   0.97364811   0.00000000
 C   -0.78295577   1.28625820  -0.07938246
 C   -1.58367081   1.42086339  -1.39050005
 H   -1.47729081   1.34573726   0.77790911
 H   -0.09551351   2.14682326  -0.02253043
 C   -2.13923657   2.83988798  -1.57562477
 H   -0.92320460   1.17962583  -2.24422015
 H   -2.41473665   0.69499130  -1.41333959
 H   -2.82218157   2.83257532  -2.45268901
 H   -2.75669475   3.10287335  -0.69771257
 N   -1.04126331   3.81487378  -1.66092455
 H   -0.58477820   3.72566174  -2.57551412
 H   -1.42338862   4.76533594  -1.63560934
 20
 Energy -2240.63339887  Dipole 4.459916 Gradient 0.00021727
 C    0.00000000   0.00000000   0.00000000
 C    1.35160853   0.00000000   0.00000000
 S    2.47298989  -1.37256886  -0.16944357
 S    2.49757945  -2.33468201   1.68772244
 S    0.88967256  -3.69712361   1.58690615
 S   -0.77257709  -2.41931204   1.79789440
 S   -1.01478592  -1.49777117  -0.05961438
 H    1.85672301   0.97409057   0.00000000
 C   -0.78165125   1.28667806  -0.08837167
 C   -1.57620827   1.41354558  -1.40438981
 H   -1.47906224   1.35303971   0.76575947
 H   -0.09248439   2.14623248  -0.03605755
 C   -2.11017984   2.83765437  -1.61274564
 H   -0.91620087   1.15108000  -2.25220124
 H   -2.41747742   0.69937822  -1.42062934
 H   -2.79170181   2.82670044  -2.49084055
 H   -2.72494250   3.12418434  -0.74033195
 N   -0.99704113   3.79393775  -1.71172343
 H   -0.53976893   3.68212574  -2.62344398
 H   -1.36429234   4.75053172  -1.70326520
 20
 Energy -2240.633270819  Dipole 4.462489 Gradient 0.00024488
 C    0.00000000   0.00000000   0.00000000
 C    1.35173106   0.00000000   0.00000000
 S    2.47507346  -1.36918687  -0.17997941
 S    2.50597447  -2.35209565   1.66601874
 S    0.89660536  -3.71188711   1.55369936
 S   -0.76168605  -2.43389162   1.78903711
 S   -1.01824680  -1.49493714  -0.05773812
 H    1.85595907   0.97455493   0.00000000
 C   -0.78028407   1.28712703  -0.09726217
 C   -1.56853242   1.40609125  -1.41831072
 H   -1.48097697   1.36020047   0.75346092
 H   -0.08948814   2.14568400  -0.04896012
 C   -2.08218360   2.83420673  -1.64932022
 H   -0.90853269   1.12348844  -2.25959884
 H   -2.41877580   0.70261099  -1.42833636
 H   -2.76190056   2.81945568  -2.52876450
 H   -2.69452532   3.14295500  -0.78280550
 N   -0.95503425   3.77241141  -1.76051788
 H   -0.49738009   3.63975651  -2.66921760
 H   -1.30802886   4.73436025  -1.76750609
 20
 Energy -2240.633128128  Dipole 4.460680 Gradient 0.00027139
 C    0.00000000   0.00000000   0.00000000
 C    1.35186040   0.00000000   0.00000000
 S    2.47742381  -1.36564197  -0.19032825
 S    2.51447967  -2.36959811   1.64402777
 S    0.90350324  -3.72658182   1.52023563
 S   -0.75061372  -2.44833261   1.78023601
 S   -1.02157951  -1.49222418  -0.05556618
 H    1.85517453   0.97505636   0.00000000
 C   -0.77941892   1.28719653  -0.10658188
 C   -1.56082509   1.39712802  -1.43296245
 H   -1.48369433   1.36669115   0.74044374
 H   -0.08742321   2.14506276  -0.06236333
 C   -2.05592845   2.82774734  -1.68743771
 H   -0.90036828   1.09506642  -2.26713347
 H   -2.41917672   0.70356441  -1.43746466
 H   -2.73302525   2.80770577  -2.56879228
 H   -2.66695401   3.15795134  -0.82792442
 N   -0.91633699   3.74930767  -1.80975375
 H   -0.45602252   3.59438632  -2.71360317
 H   -1.25669064   4.71547656  -1.83565473
 20
 Energy -2240.632975399  Dipole 4.458243 Gradient 0.00030710
 C    0.00000000   0.00000000   0.00000000
 C    1.35199183   0.00000000   0.00000000
 S    2.47976830  -1.36191971  -0.20133398
 S    2.52276000  -2.38836534   1.62035985
 S    0.91020327  -3.74191576   1.48456391
 S   -0.73894475  -2.46366673   1.77060774
 S   -1.02522775  -1.48921634  -0.05313703
 H    1.85449813   0.97548961   0.00000000
 C   -0.77842141   1.28731963  -0.11593232
 C   -1.55441065   1.38768149  -1.44669430
 H   -1.48531826   1.37392991   0.72803589
 H   -0.08500667   2.14432691  -0.07685720
 C   -2.03209747   2.82001769  -1.72377344
 H   -0.89450620   1.06682830  -2.27424073
 H   -2.42043849   0.70379676  -1.44494800
 H   -2.70725039   2.79451670  -2.60648843
 H   -2.64114617   3.17073223  -0.87104514
 N   -0.88116572   3.72570885  -1.85732701
 H   -0.41958130   3.55009436  -2.75672969
 H   -1.20958592   4.69536867  -1.90040601
 20
 Energy -2240.6327968  Dipole 4.457919 Gradient 0.00033576
 C    0.00000000   0.00000000   0.00000000
 C    1.35212174   0.00000000   0.00000000
 S    2.48228386  -1.35779973  -0.21237791
 S    2.53104486  -2.40742233   1.59577917
 S    0.91671848  -3.75736070   1.44708215
 S   -0.72725960  -2.47949360   1.76013062
 S   -1.02905738  -1.48608792  -0.05068264
 H    1.85352058   0.97608692   0.00000000
 C   -0.77730876   1.28731119  -0.12563339
 C   -1.54821466   1.37771594  -1.46053950
 H   -1.48693455   1.38105085   0.71515067
 H   -0.08258662   2.14353427  -0.09185249
 C   -2.00987130   2.81086299  -1.75950612
 H   -0.88879117   1.03899999  -2.28133438
 H   -2.42113043   0.70272213  -1.45284120
 H   -2.68342653   2.77967299  -2.64324294
 H   -2.61676955   3.18094299  -0.91341807
 N   -0.84857098   3.70148311  -1.90401561
 H   -0.38762467   3.50796628  -2.80006235
 H   -1.16581682   4.67413774  -1.96115583
 20
 Energy -2240.632605779  Dipole 4.453764 Gradient 0.00036696
 C    0.00000000   0.00000000   0.00000000
 C    1.35226728   0.00000000   0.00000000
 S    2.48500713  -1.35349250  -0.22374142
 S    2.53938259  -2.42686146   1.57019498
 S    0.92298496  -3.77255528   1.40791602
 S   -0.71547318  -2.49544671   1.74927202
 S   -1.03314250  -1.48268115  -0.04798147
 H    1.85262818   0.97664761   0.00000000
 C   -0.77634059   1.28726732  -0.13522274
 C   -1.54177325   1.36747481  -1.47438689
 H   -1.48861083   1.38815155   0.70234480
 H   -0.08035583   2.14268335  -0.10651923
 C   -1.98893328   2.80054499  -1.79481744
 H   -0.88231125   1.01214691  -2.28807356
 H   -2.42077677   0.70055789  -1.46150960
 H   -2.66046260   2.76306181  -2.67984369
 H   -2.59433623   3.18872305  -0.95582600
 N   -0.81848542   3.67733450  -1.94907867
 H   -0.35670338   3.46566152  -2.84055132
 H   -1.12574451   4.65214123  -2.02179937
 20
 Energy -2240.632398171  Dipole 4.448226 Gradient 0.00039771
 C    0.00000000   0.00000000   0.00000000
 C    1.35240797   0.00000000   0.00000000
 S    2.48834020  -1.34853742  -0.23497095
 S    2.54764348  -2.44684650   1.54360805
 S    0.92890085  -3.78770359   1.36669915
 S   -0.70373200  -2.51202825   1.73751981
 S   -1.03749566  -1.47906364  -0.04511936
 H    1.85153330   0.97730305   0.00000000
 C   -0.77537725   1.28709552  -0.14509420
 C   -1.53535675   1.35696157  -1.48841687
 H   -1.49068253   1.39466164   0.68892920
 H   -0.07839585   2.14186194  -0.12115282
 C   -1.96958293   2.78923433  -1.82930538
 H   -0.87561619   0.98627840  -2.29498805
 H   -2.41967804   0.69724988  -1.47092414
 H   -2.63875547   2.74528587  -2.71583952
 H   -2.57416128   3.19402269  -0.99757173
 N   -0.79118863   3.65365842  -1.99188216
 H   -0.32790829   3.42510137  -2.87842187
 H   -1.08968965   4.62993811  -2.07973695
 20
 Energy -2240.63216603  Dipole 4.441245 Gradient 0.00043029
 C    0.00000000   0.00000000   0.00000000
 C    1.35255029   0.00000000   0.00000000
 S    2.49150980  -1.34358859  -0.24658917
 S    2.55530407  -2.46793225   1.51539896
 S    0.93380069  -3.80308345   1.32292033
 S   -0.69242897  -2.52928167   1.72439357
 S   -1.04234289  -1.47496352  -0.04240830
 H    1.85046166   0.97796542   0.00000000
 C   -0.77425142   1.28706320  -0.15458402
 C   -1.52859594   1.34692821  -1.50197173
 H   -1.49236350   1.40148531   0.67596687
 H   -0.07616517   2.14103284  -0.13515870
 C   -1.95114350   2.77786994  -1.86236276
 H   -0.86819023   0.96204089  -2.30128896
 H   -2.41763827   0.69372379  -1.48052666
 H   -2.61764446   2.72739319  -2.75055216
 H   -2.55540258   3.19775794  -1.03793610
 N   -0.76567077   3.63106206  -2.03197985
 H   -0.30066799   3.38694746  -2.91342808
 H   -1.05627982   4.60831862  -2.13411244
 20
 Energy -2240.631930701  Dipole 4.434173 Gradient 0.00045497
 C    0.00000000   0.00000000   0.00000000
 C    1.35271216   0.00000000   0.00000000
 S    2.49532227  -1.33796889  -0.25784188
 S    2.56308824  -2.48864179   1.48694059
 S    0.93877998  -3.81786126   1.27863567
 S   -0.68073421  -2.54637778   1.71125242
 S   -1.04696232  -1.47109808  -0.03931427
 H    1.84924949   0.97868622   0.00000000
 C   -0.77323183   1.28675800  -0.16475437
 C   -1.52178924   1.33576158  -1.51630206
 H   -1.49449475   1.40804733   0.66196529
 H   -0.07424826   2.14010162  -0.14997241
 C   -1.93416159   2.76461787  -1.89599442
 H   -0.86026307   0.93759354  -2.30812564
 H   -2.41478617   0.68811326  -1.49135320
 H   -2.59739142   2.70689727  -2.78619608
 H   -2.53922278   3.19850666  -1.07942393
 N   -0.74281588   3.60829507  -2.07138160
 H   -0.27540038   3.34999917  -2.94751590
 H   -1.02688510   4.58594477  -2.18726064
 20
 Energy -2240.631666198  Dipole 4.424530 Gradient 0.00049460
 C    0.00000000   0.00000000   0.00000000
 C    1.35288880   0.00000000   0.00000000
 S    2.49944392  -1.33227484  -0.26914303
 S    2.56951596  -2.51152846   1.45634973
 S    0.94201773  -3.83343718   1.23002401
 S   -0.66988065  -2.56479313   1.69593894
 S   -1.05244489  -1.46648468  -0.03654400
 H    1.84810996   0.97940112   0.00000000
 C   -0.77243030   1.28660203  -0.17371639
 C   -1.51444515   1.32619319  -1.52958782
 H   -1.49717316   1.41342706   0.64899906
 H   -0.07278659   2.13942648  -0.16207340
 C   -1.91803075   2.75304300  -1.92600962
 H   -0.85116811   0.91675490  -2.31412828
 H   -2.41086338   0.68340049  -1.50238661
 H   -2.57806163   2.68893303  -2.81814489
 H   -2.52415830   3.19863907  -1.11658561
 N   -0.72184397   3.58872636  -2.10571550
 H   -0.25189567   3.31824641  -2.97676984
 H   -1.00043078   4.56642489  -2.23369362
 20
 Energy -2240.631342614  Dipole 4.411449 Gradient 0.00053121
 C    0.00000000   0.00000000   0.00000000
 C    1.35310893   0.00000000   0.00000000
 S    2.50341542  -1.32689291  -0.27927804
 S    2.57462617  -2.53383219   1.42667748
 S    0.94369864  -3.84788955   1.18199326
 S   -0.66038109  -2.58235183   1.68075895
 S   -1.05857323  -1.46113295  -0.03317894
 H    1.84661269   0.98026226   0.00000000
 C   -0.77072824   1.28668888  -0.18388417
 C   -1.50583936   1.31663029  -1.54409906
 H   -1.49913787   1.42022908   0.63441963
 H   -0.07004176   2.13875882  -0.17577907
 C   -1.90243381   2.74048683  -1.95742939
 H   -0.83989248   0.89713182  -2.32101482
 H   -2.40471081   0.67731006  -1.51573927
 H   -2.55871469   2.66901193  -2.85179382
 H   -2.51050257   3.19726140  -1.15569564
 N   -0.70208848   3.56922879  -2.14091450
 H   -0.22883564   3.28655334  -3.00630798
 H   -0.97600455   4.54648247  -2.28184088
 20
 Energy -2240.631070775  Dipole 4.399773 Gradient 0.00056718
 C    0.00000000   0.00000000   0.00000000
 C    1.35321559   0.00000000   0.00000000
 S    2.50848573  -1.31936413  -0.29084569
 S    2.58154171  -2.55479900   1.39466309
 S    0.94807265  -3.86157264   1.13132219
 S   -0.64854699  -2.60140672   1.66422910
 S   -1.06371680  -1.45690031  -0.02983745
 H    1.84537477   0.98103036   0.00000000
 C   -0.76988447   1.28596815  -0.19388353
 C   -1.49805022   1.30541816  -1.55846131
 H   -1.50240370   1.42498627   0.61974071
 H   -0.06892470   2.13778819  -0.18842766
 C   -1.89030070   2.72577301  -1.98738252
 H   -0.82870607   0.87779693  -2.32797242
 H   -2.39792434   0.66755229  -1.52897060
 H   -2.54225929   2.64643914  -2.88426096
 H   -2.50152387   3.19143384  -1.19323386
 N   -0.68766878   3.55055680  -2.17316981
 H   -0.21039910   3.25815977  -3.03310155
 H   -0.95911393   4.52677777  -2.32548778
 20
 Energy -2240.630736122  Dipole 4.386401 Gradient 0.00060301
 C    0.00000000   0.00000000   0.00000000
 C    1.35337681   0.00000000   0.00000000
 S    2.51374444  -1.31227159  -0.30130548
 S    2.58609660  -2.57745131   1.36201861
 S    0.94932029  -3.87515742   1.07777000
 S   -0.63918566  -2.62060797   1.64539390
 S   -1.06988475  -1.45161542  -0.02756339
 H    1.84394095   0.98189468   0.00000000
 C   -0.76877046   1.28568857  -0.20366386
 C   -1.48846267   1.29606090  -1.57313136
 H   -1.50598502   1.42963904   0.60475072
 H   -0.06748394   2.13720785  -0.19954883
 C   -1.87661642   2.71310979  -2.01601325
 H   -0.81461484   0.86168383  -2.33487307
 H   -2.38926606   0.65944326  -1.54479176
 H   -2.52376838   2.62686389  -2.91574374
 H   -2.49167851   3.18616909  -1.22920068
 N   -0.67195260   3.53480328  -2.20215099
 H   -0.19019378   3.23434734  -3.05678175
 H   -0.94127586   4.50999721  -2.36445884
 20
 Energy -2240.6303894  Dipole 4.370925 Gradient 0.00063957
 C    0.00000000   0.00000000   0.00000000
 C    1.35353669   0.00000000   0.00000000
 S    2.51928330  -1.30484379  -0.31164396
 S    2.59052738  -2.59989433   1.32855629
 S    0.95006748  -3.88787201   1.02311504
 S   -0.62977194  -2.63955344   1.62670324
 S   -1.07652619  -1.44595615  -0.02417777
 H    1.84236357   0.98283017   0.00000000
 C   -0.76742811   1.28556142  -0.21266626
 C   -1.47951233   1.28729530  -1.58642119
 H   -1.50872975   1.43448183   0.59102948
 H   -0.06563531   2.13664351  -0.21023098
 C   -1.86438495   2.70100382  -2.04244453
 H   -0.80157083   0.84678506  -2.34095725
 H   -2.38086185   0.65135401  -1.55891946
 H   -2.50677898   2.60784683  -2.94488335
 H   -2.48333166   3.18082784  -1.26281347
 N   -0.65813739   3.52021464  -2.22877994
 H   -0.17185812   3.21223211  -3.07815206
 H   -0.92572576   4.49424586  -2.40066984
 20
 Energy -2240.630016988  Dipole 4.354650 Gradient 0.00067512
 C    0.00000000   0.00000000   0.00000000
 C    1.35371312   0.00000000   0.00000000
 S    2.52527153  -1.29701747  -0.32155779
 S    2.59393774  -2.62263954   1.29412125
 S    0.95005909  -3.90018493   0.96590776
 S   -0.62128240  -2.65974888   1.60576591
 S   -1.08325649  -1.44016958  -0.02131181
 H    1.84080917   0.98374629   0.00000000
 C   -0.76603967   1.28548079  -0.22120476
 C   -1.47031339   1.27915153  -1.59932349
 H   -1.51154737   1.43891156   0.57763788
 H   -0.06383477   2.13619257  -0.21990703
 C   -1.85278874   2.68946832  -2.06716957
 H   -0.78789877   0.83363491  -2.34681538
 H   -2.37183458   0.64336831  -1.57327458
 H   -2.48996224   2.58976693  -2.97265860
 H   -2.47644165   3.17454441  -1.29458290
 N   -0.64574240   3.50763670  -2.25236363
 H   -0.15441649   3.19365925  -3.09662718
 H   -0.91254963   4.48032098  -2.43281707
 20
 Energy -2240.629622196  Dipole 4.336918 Gradient 0.00071392
 C    0.00000000   0.00000000   0.00000000
 C    1.35387099   0.00000000   0.00000000
 S    2.53207809  -1.28852342  -0.33000303
 S    2.59620159  -2.64505728   1.25992849
 S    0.94914675  -3.91147993   0.90711933
 S   -0.61425880  -2.68042160   1.58260487
 S   -1.09000759  -1.43417174  -0.01956960
 H    1.83903481   0.98478938   0.00000000
 C   -0.76453669   1.28529056  -0.23043703
 C   -1.45975448   1.27132929  -1.61329039
 H   -1.51488548   1.44321611   0.56295647
 H   -0.06193074   2.13564149  -0.22926205
 C   -1.84092456   2.67827415  -2.09209607
 H   -0.77192974   0.82200601  -2.35349316
 H   -2.36085500   0.63481192  -1.58974160
 H   -2.47190127   2.57194090  -3.00111243
 H   -2.47038932   3.16734768  -1.32676273
 N   -0.63378549   3.49689330  -2.27423935
 H   -0.13624424   3.17828202  -3.11308352
 H   -0.90061101   4.46808410  -2.46258910
 20
 Energy -2240.629206052  Dipole 4.317380 Gradient 0.00074750
 C    0.00000000   0.00000000   0.00000000
 C    1.35403911   0.00000000   0.00000000
 S    2.53923134  -1.27972886  -0.33833983
 S    2.59756450  -2.66776431   1.22434421
 S    0.94702034  -3.92169356   0.84606823
 S   -0.60766172  -2.70099970   1.55863091
 S   -1.09738713  -1.42773778  -0.01735290
 H    1.83726946   0.98581820   0.00000000
 C   -0.76292000   1.28537958  -0.23850166
 C   -1.44915360   1.26488207  -1.62609095
 H   -1.51807590   1.44690588   0.54949553
 H   -0.06012996   2.13554306  -0.23678493
 C   -1.82978153   2.66859803  -2.11410131
 H   -0.75559547   0.81320817  -2.35943707
 H   -2.34936578   0.62697895  -1.60598742
 H   -2.45449386   2.55643522  -3.02681235
 H   -2.46539399   3.16014907  -1.35547573
 N   -0.62319895   3.48878788  -2.29233436
 H   -0.11943404   3.16701770  -3.12627134
 H   -0.89078354   4.45844734  -2.48731961
 20
 Energy -2240.628767915  Dipole 4.296981 Gradient 0.00078131
 C    0.00000000   0.00000000   0.00000000
 C    1.35419291   0.00000000   0.00000000
 S    2.54700375  -1.27053319  -0.34579803
 S    2.59811923  -2.68995194   1.18868469
 S    0.94423559  -3.93059806   0.78410641
 S   -0.60178043  -2.72155347   1.53351087
 S   -1.10484991  -1.42113085  -0.01533037
 H    1.83527422   0.98696845   0.00000000
 C   -0.76150552   1.28527461  -0.24691403
 C   -1.43794767   1.25870974  -1.63932821
 H   -1.52192269   1.44991881   0.53536788
 H   -0.05873419   2.13541044  -0.24376932
 C   -1.81905618   2.65936300  -2.13567732
 H   -0.73809336   0.80568835  -2.36580950
 H   -2.33673854   0.61864600  -1.62328069
 H   -2.43708552   2.54153598  -3.05218215
 H   -2.46132286   3.15229044  -1.38357136
 N   -0.61353634   3.48208806  -2.30899846
 H   -0.10319098   3.15833183  -3.13811402
 H   -0.88230130   4.45026060  -2.50966322
 20
 Energy -2240.62830176  Dipole 4.275588 Gradient 0.00082331
 C    0.00000000   0.00000000   0.00000000
 C    1.35432950   0.00000000   0.00000000
 S    2.55492432  -1.26087473  -0.35353758
 S    2.59841962  -2.71244770   1.15069068
 S    0.94100346  -3.93872490   0.71899583
 S   -0.59603026  -2.74273458   1.50618955
 S   -1.11255364  -1.41430634  -0.01349988
 H    1.83331492   0.98808632   0.00000000
 C   -0.75988213   1.28547310  -0.25412452
 C   -1.42699930   1.25404770  -1.65123136
 H   -1.52535759   1.45253033   0.52262987
 H   -0.05729494   2.13568685  -0.24894553
 C   -1.80911912   2.65189589  -2.15399750
 H   -0.72088245   0.80087031  -2.37148111
 H   -2.32411937   0.61152580  -1.63994656
 H   -2.42052475   2.52932830  -3.07439582
 H   -2.45826779   3.14476021  -1.40779609
 N   -0.60538779   3.47832135  -2.32154548
 H   -0.08838840   3.15401354  -3.14633583
 H   -0.87625879   4.44493908  -2.52681101
 20
 Energy -2240.62782608  Dipole 4.253131 Gradient 0.00086226
 C    0.00000000   0.00000000   0.00000000
 C    1.35448730   0.00000000   0.00000000
 S    2.56308625  -1.25107305  -0.36012336
 S    2.59768313  -2.73476279   1.11243621
 S    0.93675671  -3.94549631   0.65274327
 S   -0.59133047  -2.76372151   1.47756165
 S   -1.12062124  -1.40711550  -0.01178797
 H    1.83132029   0.98923194   0.00000000
 C   -0.75788480   1.28583475  -0.26126444
 C   -1.41492866   1.25046855  -1.66306776
 H   -1.52853362   1.45552972   0.50980435
 H   -0.05489363   2.13567770  -0.25353487
 C   -1.79906284   2.64587016  -2.17104093
 H   -0.70198776   0.79842272  -2.37727618
 H   -2.30969857   0.60457255  -1.65718743
 H   -2.40364346   2.51913987  -3.09532650
 H   -2.45518787   3.13766849  -1.43023996
 N   -0.59726098   3.47637420  -2.33189750
 H   -0.07335380   3.15228405  -3.15236891
 H   -0.87009289   4.44163111  -2.54096122
 20
 Energy -2240.627326122  Dipole 4.231992 Gradient 0.00089640
 C    0.00000000   0.00000000   0.00000000
 C    1.35459305   0.00000000   0.00000000
 S    2.57159832  -1.24079185  -0.36632990
 S    2.59663000  -2.75627574   1.07370558
 S    0.93233780  -3.95069740   0.58557193
 S   -0.58697579  -2.78464967   1.44777988
 S   -1.12851763  -1.39991949  -0.01018342
 H    1.82921508   0.99039827   0.00000000
 C   -0.75612916   1.28608578  -0.26839113
 C   -1.40297238   1.24692511  -1.67462317
 H   -1.53200615   1.45768527   0.49698869
 H   -0.05324250   2.13593065  -0.25763681
 C   -1.78913908   2.64030383  -2.18763530
 H   -0.68347529   0.79630192  -2.38310912
 H   -2.29528718   0.59760907  -1.67414386
 H   -2.38580652   2.50933719  -3.11647473
 H   -2.45304669   3.13022625  -1.45270455
 N   -0.58956270   3.47558278  -2.34039646
 H   -0.05802370   3.15266248  -3.15644141
 H   -0.86487301   4.43938853  -2.55283941
 20
 Energy -2240.626801935  Dipole 4.206365 Gradient 0.00093027
 C    0.00000000   0.00000000   0.00000000
 C    1.35470847   0.00000000   0.00000000
 S    2.58035049  -1.23044877  -0.37217426
 S    2.59494578  -2.77730181   1.03391572
 S    0.92741046  -3.95473282   0.51696255
 S   -0.58317609  -2.80574084   1.41639012
 S   -1.13649783  -1.39271927  -0.00887370
 H    1.82712791   0.99157550   0.00000000
 C   -0.75453471   1.28640186  -0.27432808
 C   -1.39095024   1.24437385  -1.68590046
 H   -1.53601667   1.45897653   0.48512552
 H   -0.05223859   2.13664926  -0.25949536
 C   -1.77915258   2.63488157  -2.20309774
 H   -0.66390826   0.79544057  -2.38769678
 H   -2.28074645   0.59165294  -1.69222748
 H   -2.36743139   2.50033658  -3.13683033
 H   -2.45216045   3.12208127  -1.47449025
 N   -0.58313272   3.47664348  -2.34661859
 H   -0.04324435   3.15629658  -3.15813941
 H   -0.86205677   4.43880702  -2.56175967
 20
 Energy -2240.626258959  Dipole 4.181016 Gradient 0.00095071
 C    0.00000000   0.00000000   0.00000000
 C    1.35483424   0.00000000   0.00000000
 S    2.58963545  -1.21967468  -0.37720192
 S    2.59300709  -2.79792669   0.99336046
 S    0.92227761  -3.95708432   0.44710070
 S   -0.57968924  -2.82665141   1.38351756
 S   -1.14437262  -1.38552414  -0.00799636
 H    1.82507865   0.99273199   0.00000000
 C   -0.75273987   1.28694905  -0.28063581
 C   -1.37799412   1.24247423  -1.69709020
 H   -1.53988135   1.46085388   0.47258007
 H   -0.05072099   2.13729844  -0.26145914
 C   -1.77002571   2.63066777  -2.21725365
 H   -0.64325787   0.79714139  -2.39311534
 H   -2.26426737   0.58508832  -1.71061649
 H   -2.34993670   2.49268542  -3.15574084
 H   -2.45175183   3.11390425  -1.49417279
 N   -0.57790139   3.47958518  -2.35099834
 H   -0.02991834   3.16287251  -3.15856137
 H   -0.86095855   4.44013558  -2.56797492
 20
 Energy -2240.62565639  Dipole 4.152886 Gradient 0.00098169
 C    0.00000000   0.00000000   0.00000000
 C    1.35493518   0.00000000   0.00000000
 S    2.59908965  -1.20859222  -0.38158772
 S    2.59011036  -2.81885312   0.95124628
 S    0.91609727  -3.95766196   0.37440036
 S   -0.57719854  -2.84758705   1.34806113
 S   -1.15249381  -1.37792084  -0.00793890
 H    1.82297753   0.99389414   0.00000000
 C   -0.75068266   1.28793046  -0.28606148
 C   -1.36448253   1.24283159  -1.70753275
 H   -1.54380427   1.46200590   0.46094156
 H   -0.04906968   2.13838064  -0.26097515
 C   -1.76028494   2.62947933  -2.22878296
 H   -0.62186256   0.80263617  -2.39830511
 H   -2.24694268   0.58058584  -1.72956501
 H   -2.33180999   2.48941648  -3.17208261
 H   -2.45068485   3.10762375  -1.51052007
 N   -0.57231926   3.48580828  -2.35186109
 H   -0.01578964   3.17334875  -3.15516224
 H   -0.85943671   4.44483623  -2.57018971
 20
 Energy -2240.62511373  Dipole 4.123862 Gradient 0.00101315
 C    0.00000000   0.00000000   0.00000000
 C    1.35502139   0.00000000   0.00000000
 S    2.60844984  -1.19727748  -0.38616975
 S    2.58728506  -2.83848018   0.90813856
 S    0.90995917  -3.95638254   0.30178774
 S   -0.57427970  -2.86795239   1.31294929
 S   -1.16077331  -1.37024793  -0.00619449
 H    1.82074777   0.99512686   0.00000000
 C   -0.74921056   1.28841129  -0.28992032
 C   -1.35165794   1.24380597  -1.71641311
 H   -1.54805024   1.46165765   0.45108970
 H   -0.04855663   2.13941588  -0.25831347
 C   -1.75253529   2.62861068  -2.23811007
 H   -0.60092432   0.80855943  -2.40164270
 H   -2.22996335   0.57638946  -1.74659411
 H   -2.31654495   2.48650853  -3.18571077
 H   -2.45121624   3.10090680  -1.52401526
 N   -0.56952151   3.49292503  -2.35110365
 H   -0.00477329   3.18551743  -3.15065230
 H   -0.86104725   4.45053985  -2.56978532
 20
 Energy -2240.624535393  Dipole 4.095620 Gradient 0.00104084
 C    0.00000000   0.00000000   0.00000000
 C    1.35510038   0.00000000   0.00000000
 S    2.61810998  -1.18607212  -0.38888090
 S    2.58388243  -2.85684251   0.86660404
 S    0.90360394  -3.95327247   0.23069685
 S   -0.57210859  -2.88743812   1.27787122
 S   -1.16889494  -1.36263998  -0.00421928
 H    1.81857727   0.99634853   0.00000000
 C   -0.74748987   1.28900217  -0.29488770
 C   -1.33862459   1.24407237  -1.72609525
 H   -1.55213169   1.46204871   0.43996293
 H   -0.04766785   2.14038092  -0.25705918
 C   -1.74470475   2.62696363  -2.24840749
 H   -0.57995359   0.81431090  -2.40599550
 H   -2.21246787   0.57129109  -1.76440785
 H   -2.30022287   2.48260682  -3.20060666
 H   -2.45226036   3.09311263  -1.53897971
 N   -0.56697375   3.49989560  -2.35068372
 H    0.00529682   3.19827907  -3.14704683
 H   -0.86410269   4.45571187  -2.56975084
 20
 Energy -2240.623900388  Dipole 4.065611 Gradient 0.00106531
 C    0.00000000   0.00000000   0.00000000
 C    1.35514566   0.00000000   0.00000000
 S    2.62804083  -1.17466101  -0.39065843
 S    2.57974247  -2.87520194   0.82358519
 S    0.89683528  -3.94856781   0.15669092
 S   -0.57094990  -2.90726393   1.23927635
 S   -1.17692301  -1.35499517  -0.00397766
 H    1.81645312   0.99749582   0.00000000
 C   -0.74560687   1.28982055  -0.29941190
 C   -1.32447405   1.24622436  -1.73564422
 H   -1.55630305   1.46190561   0.42895914
 H   -0.04670380   2.14153364  -0.25388146
 C   -1.73586517   2.62767193  -2.25718297
 H   -0.55724904   0.82313340  -2.41011499
 H   -2.19340536   0.56774600  -1.78351674
 H   -2.28235491   2.48221638  -3.21451520
 H   -2.45284405   3.08648206  -1.55249023
 N   -0.56381807   3.50957766  -2.34691904
 H    0.01720312   3.21467107  -3.13950697
 H   -0.86622210   4.46383779  -2.56563554
 20
 Energy -2240.623267523  Dipole 4.034667 Gradient 0.00108523
 C    0.00000000   0.00000000   0.00000000
 C    1.35517036   0.00000000   0.00000000
 S    2.63793721  -1.16271033  -0.39351368
 S    2.57583342  -2.89348003   0.77642864
 S    0.89003990  -3.94200732   0.07852429
 S   -0.56931497  -2.92754396   1.19741364
 S   -1.18484019  -1.34739403  -0.00439939
 H    1.81414157   0.99876672   0.00000000
 C   -0.74398518   1.29095658  -0.30191515
 C   -1.31092037   1.25062123  -1.74303953
 H   -1.56073644   1.46096906   0.42031309
 H   -0.04636050   2.14313137  -0.24771618
 C   -1.72829217   2.63124704  -2.26159593
 H   -0.53533411   0.83561175  -2.41293865
 H   -2.17459154   0.56634435  -1.80111511
 H   -2.26603049   2.48610422  -3.22387585
 H   -2.45436767   3.08140202  -1.56058147
 N   -0.56241291   3.52255067  -2.33799632
 H    0.02701544   3.23570179  -3.12727257
 H   -0.87052525   4.47536543  -2.55504127
 20
 Energy -2240.622623261  Dipole 4.003571 Gradient 0.00110717
 C    0.00000000   0.00000000   0.00000000
 C    1.35519238   0.00000000   0.00000000
 S    2.64790403  -1.15099319  -0.39496873
 S    2.57167924  -2.91069241   0.72995644
 S    0.88312088  -3.93349965   0.00161290
 S   -0.56787443  -2.94660594   1.15573141
 S   -1.19259087  -1.33987839  -0.00436628
 H    1.81203536   0.99990535   0.00000000
 C   -0.74223543   1.29203878  -0.30479325
 C   -1.29726854   1.25493029  -1.75059689
 H   -1.56493700   1.46019684   0.41107902
 H   -0.04588383   2.14465324  -0.24197456
 C   -1.72091171   2.63461354  -2.26612998
 H   -0.51341224   0.84809639  -2.41588756
 H   -2.15544199   0.56474379  -1.81878823
 H   -2.24987762   2.48983837  -3.23341027
 H   -2.45615789   3.07576687  -1.56899752
 N   -0.56162603   3.53552381  -2.32902857
 H    0.03632730   3.25699692  -3.11493199
 H   -0.87565161   4.48681131  -2.54435233
 20
 Energy -2240.621966466  Dipole 3.972635 Gradient 0.00112347
 C    0.00000000   0.00000000   0.00000000
 C    1.35520940   0.00000000   0.00000000
 S    2.65783758  -1.13903416  -0.39658434
 S    2.56758201  -2.92743882   0.68105636
 S    0.87619188  -3.92281436  -0.07749558
 S   -0.56654065  -2.96554722   1.11171862
 S   -1.20022273  -1.33240555  -0.00477257
 H    1.80988616   1.00110614   0.00000000
 C   -0.74061880   1.29329618  -0.30660925
 C   -1.28393042   1.26076896  -1.75690226
 H   -1.56912375   1.45889345   0.40332716
 H   -0.04575985   2.14632333  -0.23443456
 C   -1.71423973   2.63988412  -2.26802558
 H   -0.49183313   0.86310835  -2.41795606
 H   -2.13626709   0.56463202  -1.83577321
 H   -2.23450020   2.49644755  -3.24016500
 H   -2.45846859   3.07117572  -1.57417736
 N   -0.56189470   3.55055593  -2.31682652
 H    0.04414539   3.28144328  -3.09974329
 H   -0.88211792   4.50043150  -2.52926830
 20
 Energy -2240.621300411  Dipole 3.941119 Gradient 0.00114093
 C    0.00000000   0.00000000   0.00000000
 C    1.35520866   0.00000000   0.00000000
 S    2.66774028  -1.12699559  -0.39755413
 S    2.56374548  -2.94317929   0.63145313
 S    0.86932276  -3.90994311  -0.15611795
 S   -0.56499525  -2.98351548   1.06749830
 S   -1.20765665  -1.32508099  -0.00470077
 H    1.80780179   1.00222905   0.00000000
 C   -0.73913272   1.29452674  -0.30811865
 C   -1.27104333   1.26697084  -1.76265075
 H   -1.57325640   1.45726218   0.39590919
 H   -0.04586309   2.14794849  -0.22632244
 C   -1.70847840   2.64552106  -2.26882516
 H   -0.47096974   0.87880027  -2.41975043
 H   -2.11733653   0.56483347  -1.85208528
 H   -2.22044980   2.50380137  -3.24569750
 H   -2.46141112   3.06648830  -1.57808394
 N   -0.56345705   3.56602174  -2.30352293
 H    0.05058012   3.30668946  -3.08358033
 H   -0.89003975   4.51442720  -2.51284453
 20
 Energy -2240.620620344  Dipole 3.909666 Gradient 0.00115975
 C    0.00000000   0.00000000   0.00000000
 C    1.35519035   0.00000000   0.00000000
 S    2.67766114  -1.11460335  -0.39886066
 S    2.56021264  -2.95846606   0.57829766
 S    0.86249052  -3.89476627  -0.23801561
 S   -0.56305365  -3.00128846   1.02020008
 S   -1.21472436  -1.31795161  -0.00565761
 H    1.80565298   1.00342212   0.00000000
 C   -0.73758342   1.29607355  -0.30828586
 C   -1.25856930   1.27521184  -1.76680745
 H   -1.57715750   1.45539853   0.39027108
 H   -0.04599743   2.14974692  -0.21614548
 C   -1.70347744   2.65369125  -2.26625420
 H   -0.45076260   0.89757531  -2.42056291
 H   -2.09858869   0.56719517  -1.86735339
 H   -2.20718053   2.51498356  -3.24779384
 H   -2.46491590   3.06333141  -1.57793600
 N   -0.56601330   3.58402054  -2.28588597
 H    0.05567132   3.33547259  -3.06332681
 H   -0.89915008   4.53108517  -2.49097643
 20
 Energy -2240.619940133  Dipole 3.878218 Gradient 0.00117618
 C    0.00000000   0.00000000   0.00000000
 C    1.35517699   0.00000000   0.00000000
 S    2.68759962  -1.10258047  -0.39880770
 S    2.55671729  -2.97264182   0.52602141
 S    0.85536547  -3.87750719  -0.31701814
 S   -0.56078331  -3.01717234   0.97480968
 S   -1.22162952  -1.31095009  -0.00521344
 H    1.80374679   1.00446350   0.00000000
 C   -0.73633193   1.29745118  -0.30863932
 C   -1.24682179   1.28302163  -1.77083486
 H   -1.58100910   1.45341515   0.38457184
 H   -0.04628292   2.15115661  -0.20662300
 C   -1.69935102   2.66127356  -2.26369025
 H   -0.43160524   0.91578073  -2.42134389
 H   -2.08051068   0.56921300  -1.88205680
 H   -2.19531378   2.52562360  -3.24968616
 H   -2.46883832   3.05972670  -1.57780555
 N   -0.56958092   3.60116609  -2.26895868
 H    0.05934826   3.36321999  -3.04396285
 H   -0.90927043   4.54678687  -2.46997964
 20
 Energy -2240.61922988  Dipole 3.846797 Gradient 0.00119001
 C    0.00000000   0.00000000   0.00000000
 C    1.35515417   0.00000000   0.00000000
 S    2.69762842  -1.09053365  -0.39731515
 S    2.55369080  -2.98579754   0.47366251
 S    0.84846931  -3.85810748  -0.39457010
 S   -0.55786146  -3.03161277   0.93032104
 S   -1.22818626  -1.30432386  -0.00401221
 H    1.80150822   1.00568298   0.00000000
 C   -0.73520476   1.29865543  -0.30876796
 C   -1.23590485   1.29097905  -1.77430701
 H   -1.58496572   1.45089627   0.37931247
 H   -0.04753165   2.15301301  -0.19680325
 C   -1.69620147   2.66909571  -2.26004092
 H   -0.41376276   0.93432723  -2.42196252
 H   -2.06325041   0.57162132  -1.89583470
 H   -2.18500763   2.53688083  -3.25002774
 H   -2.47314978   3.05618453  -1.57597113
 N   -0.57422521   3.61832840  -2.25119311
 H    0.06142090   3.39126402  -3.02393189
 H   -0.92056476   4.56250351  -2.44768915
 20
 Energy -2240.618516792  Dipole 3.816624 Gradient 0.00121188
 C    0.00000000   0.00000000   0.00000000
 C    1.35515800   0.00000000   0.00000000
 S    2.70774476  -1.07794630  -0.39647038
 S    2.55165804  -2.99829732   0.41684704
 S    0.84178659  -3.83593734  -0.47514791
 S   -0.55364975  -3.04540942   0.88349716
 S   -1.23433461  -1.29798707  -0.00345162
 H    1.79917085   1.00684207   0.00000000
 C   -0.73408145   1.30029776  -0.30729279
 C   -1.22617076   1.30123192  -1.77560308
 H   -1.58811949   1.44846063   0.37648536
 H   -0.04835373   2.15480268  -0.18519021
 C   -1.69453142   2.67985017  -2.25195610
 H   -0.39771317   0.95601774  -2.42143637
 H   -2.04722626   0.57663617  -1.90776182
 H   -2.17682233   2.55267943  -3.24586389
 H   -2.47844869   3.05455950  -1.56896594
 N   -0.58039432   3.63809264  -2.22831359
 H    0.06130983   3.42300948  -2.99952509
 H   -0.93339725   4.58105884  -2.41870470
 20
 Energy -2240.617799085  Dipole 3.786557 Gradient 0.00123813
 C    0.00000000   0.00000000   0.00000000
 C    1.35510386   0.00000000   0.00000000
 S    2.71826734  -1.06518300  -0.39458051
 S    2.55054197  -3.00977052   0.35879574
 S    0.83534197  -3.81141546  -0.55441527
 S   -0.54821421  -3.05757009   0.83772215
 S   -1.24006298  -1.29208162  -0.00219129
 H    1.79737339   1.00800274   0.00000000
 C   -0.73294078   1.30190851  -0.30529978
 C   -1.21772213   1.31208103  -1.77584145
 H   -1.59075309   1.44627957   0.37483778
 H   -0.04871652   2.15610748  -0.17339199
 C   -1.69414609   2.69144637  -2.24188472
 H   -0.38366563   0.97844368  -2.42053963
 H   -2.03272825   0.58270450  -1.91814638
 H   -2.17050903   2.57001425  -3.23931230
 H   -2.48431145   3.05363730  -1.55926184
 N   -0.58772417   3.65824909  -2.20357243
 H    0.05940472   3.45536826  -2.97352834
 H   -0.94735492   4.60004084  -2.38732547
 20
 Energy -2240.617065571  Dipole 3.756996 Gradient 0.00126034
 C    0.00000000   0.00000000   0.00000000
 C    1.35503652   0.00000000   0.00000000
 S    2.72922118  -1.05203862  -0.39073111
 S    2.55050538  -3.02027713   0.29942296
 S    0.82950010  -3.78424035  -0.63305359
 S   -0.54168146  -3.06838210   0.79202391
 S   -1.24516379  -1.28675159  -0.00117842
 H    1.79512999   1.00920247   0.00000000
 C   -0.73202978   1.30362690  -0.30227640
 C   -1.20996002   1.32420519  -1.77485850
 H   -1.59350467   1.44319178   0.37437700
 H   -0.04981390   2.15771495  -0.15986211
 C   -1.69430276   2.70459681  -2.22948996
 H   -0.37066829   1.00243941  -2.41883188
 H   -2.01900738   0.59038459  -1.92761087
 H   -2.16489799   2.58986452  -3.23050072
 H   -2.49064947   3.05393428  -1.54736452
 N   -0.59561607   3.67953829  -2.17584831
 H    0.05668742   3.48970571  -2.94481507
 H   -0.96177246   4.62032266  -2.35176878
 20
 Energy -2240.616322637  Dipole 3.728276 Gradient 0.00129490
 C    0.00000000   0.00000000   0.00000000
 C    1.35499132   0.00000000   0.00000000
 S    2.74056222  -1.03870385  -0.38545375
 S    2.55164676  -3.02980421   0.23820076
 S    0.82395649  -3.75442864  -0.71084041
 S   -0.53364268  -3.07771871   0.74706466
 S   -1.24969067  -1.28194342   0.00005417
 H    1.79289651   1.01045184   0.00000000
 C   -0.73145054   1.30541782  -0.29828189
 C   -1.20358392   1.33776148  -1.77222249
 H   -1.59598442   1.43993696   0.37580216
 H   -0.05105106   2.15913182  -0.14538389
 C   -1.69584941   2.71966147  -2.21383649
 H   -0.35978098   1.02825995  -2.41629044
 H   -2.00703112   0.60011168  -1.93539206
 H   -2.16156897   2.61300219  -3.21796845
 H   -2.49733331   3.05546179  -1.53090344
 N   -0.60447229   3.70193161  -2.14467652
 H    0.05187851   3.52578685  -2.91341466
 H   -0.97692811   4.64195754  -2.31122868
 20
 Energy -2240.615555575  Dipole 3.700751 Gradient 0.00133789
 C    0.00000000   0.00000000   0.00000000
 C    1.35491252   0.00000000   0.00000000
 S    2.75224997  -1.02508477  -0.37832478
 S    2.55381994  -3.03837555   0.17450100
 S    0.81872805  -3.72190517  -0.78830184
 S   -0.52429466  -3.08577879   0.70242821
 S   -1.25370480  -1.27773396   0.00134795
 H    1.79057845   1.01171088   0.00000000
 C   -0.73088260   1.30740317  -0.29278539
 C   -1.19916896   1.35337007  -1.76737355
 H   -1.59775065   1.43633980   0.37957254
 H   -0.05206787   2.16041871  -0.12938888
 C   -1.69886830   2.73765870  -2.19318712
 H   -0.35204369   1.05643545  -2.41301827
 H   -1.99776528   0.61283303  -1.94088207
 H   -2.16122119   2.64112132  -3.19996260
 H   -2.50443787   3.05967856  -1.50843600
 N   -0.61400920   3.72607335  -2.10828133
 H    0.04526134   3.56431707  -2.87774134
 H   -0.99224990   4.66572698  -2.26360402
 20
 Energy -2240.614770207  Dipole 3.674111 Gradient 0.00138980
 C    0.00000000   0.00000000   0.00000000
 C    1.35481623   0.00000000   0.00000000
 S    2.76427501  -1.01150365  -0.36819567
 S    2.55686222  -3.04597924   0.10944709
 S    0.81390513  -3.68701398  -0.86415182
 S   -0.51404441  -3.09245807   0.65863682
 S   -1.25726071  -1.27413822   0.00228122
 H    1.78830157   1.01294345   0.00000000
 C   -0.73028841   1.30957761  -0.28615861
 C   -1.19593009   1.37100090  -1.76072316
 H   -1.59896261   1.43251221   0.38535921
 H   -0.05294961   2.16161516  -0.11192509
 C   -1.70221087   2.75842145  -2.16881990
 H   -0.34626878   1.08674686  -2.40871270
 H   -1.99045253   0.62866194  -1.94471207
 H   -2.16164497   2.67370277  -3.17790917
 H   -2.51100458   3.06630573  -1.48131246
 N   -0.62306252   3.75170270  -2.06726447
 H    0.03844585   3.60513010  -2.83778601
 H   -1.00642971   4.69136256  -2.20946279
 20
 Energy -2240.61395291  Dipole 3.648091 Gradient 0.00144887
 C    0.00000000   0.00000000   0.00000000
 C    1.35468361   0.00000000   0.00000000
 S    2.77666889  -0.99790349  -0.35504120
 S    2.56079506  -3.05248132   0.04273673
 S    0.80961576  -3.64989691  -0.93828678
 S   -0.50287845  -3.09798379   0.61569563
 S   -1.26030872  -1.27113537   0.00284685
 H    1.78595576   1.01419024   0.00000000
 C   -0.72972601   1.31201202  -0.27779600
 C   -1.19381478   1.39097467  -1.75173302
 H   -1.59969534   1.42826057   0.39342110
 H   -0.05356197   2.16263884  -0.09240774
 C   -1.70579305   2.78228592  -2.13968759
 H   -0.34244078   1.11959139  -2.40302299
 H   -1.98502258   0.64786794  -1.94669579
 H   -2.16315994   2.71139838  -3.15082703
 H   -2.51729688   3.07577848  -1.44910542
 N   -0.63159181   3.77919263  -2.02063328
 H    0.03143221   3.64846319  -2.79276395
 H   -1.01954387   4.71908888  -2.14820777
 20
 Energy -2240.613100728  Dipole 3.622346 Gradient 0.00151245
 C    0.00000000   0.00000000   0.00000000
 C    1.35449627   0.00000000   0.00000000
 S    2.78925952  -0.98481524  -0.33712777
 S    2.56551214  -3.05790366  -0.02317522
 S    0.80625389  -3.61149019  -1.00866424
 S   -0.49150882  -3.10249626   0.57439516
 S   -1.26287010  -1.26883231   0.00263008
 H    1.78358724   1.01543210   0.00000000
 C   -0.72912596   1.31447772  -0.26883311
 C   -1.19189030   1.41248057  -1.74175550
 H   -1.60032637   1.42354598   0.40238072
 H   -0.05419516   2.16339337  -0.07151812
 C   -1.70843678   2.80822944  -2.10824933
 H   -0.33907545   1.15392360  -2.39634323
 H   -1.98050618   0.66971783  -1.94816628
 H   -2.16355943   2.75255085  -3.12125814
 H   -2.52221772   3.08692530  -1.41417201
 N   -0.63845920   3.80745108  -1.97039745
 H    0.02615584   3.69299999  -2.74368238
 H   -1.03022801   4.74777214  -2.08212037
 20
 Energy -2240.612213597  Dipole 3.597733 Gradient 0.00157398
 C    0.00000000   0.00000000   0.00000000
 C    1.35427876   0.00000000   0.00000000
 S    2.80178841  -0.97228226  -0.31485417
 S    2.57081647  -3.06222027  -0.09101970
 S    0.80399153  -3.57125186  -1.07892494
 S   -0.48061112  -3.10702586   0.53097503
 S   -1.26500119  -1.26718412  -0.00009413
 H    1.78133892   1.01657567   0.00000000
 C   -0.72847887   1.31725161  -0.25781411
 C   -1.18960343   1.43747929  -1.72921678
 H   -1.60106550   1.41771236   0.41312176
 H   -0.05477643   2.16393534  -0.04690110
 C   -1.70946986   2.83840104  -2.07153439
 H   -0.33565783   1.19240255  -2.38754186
 H   -1.97620911   0.69628059  -1.94870453
 H   -2.16207219   2.80044482  -3.08654371
 H   -2.52588515   3.10191048  -1.37464144
 N   -0.64296278   3.83842898  -1.91240724
 H    0.02313450   3.74131575  -2.68685287
 H   -1.03785290   4.77937501  -2.00668930
 20
 Energy -2240.611287549  Dipole 3.573585 Gradient 0.00162112
 C    0.00000000   0.00000000   0.00000000
 C    1.35397433   0.00000000   0.00000000
 S    2.81364459  -0.96110448  -0.28718839
 S    2.57612829  -3.06553361  -0.15872163
 S    0.80254398  -3.53011866  -1.14679979
 S   -0.47109321  -3.11151679   0.48685512
 S   -1.26695984  -1.26587741  -0.00465582
 H    1.77903664   1.01769800   0.00000000
 C   -0.72769753   1.32023330  -0.24499454
 C   -1.18648531   1.46520221  -1.71449954
 H   -1.60190803   1.41095658   0.42558569
 H   -0.05532599   2.16403323  -0.01863763
 C   -1.70845026   2.87175088  -2.03088862
 H   -0.33103208   1.23410706  -2.37590288
 H   -1.97141739   0.72667476  -1.94851730
 H   -2.15817632   2.85338560  -3.04759083
 H   -2.52706481   3.11948996  -1.33071434
 N   -0.64454739   3.87079012  -1.84860817
 H    0.02344557   3.79167363  -2.62340005
 H   -1.04145718   4.81260249  -1.92360611
 20
 Energy -2240.610330838  Dipole 3.551304 Gradient 0.00164003
 C    0.00000000   0.00000000   0.00000000
 C    1.35360073   0.00000000   0.00000000
 S    2.82428174  -0.95208001  -0.25261324
 S    2.58133520  -3.06792045  -0.22350296
 S    0.80239798  -3.48921727  -1.21040434
 S   -0.46370343  -3.11602262   0.44269811
 S   -1.26892568  -1.26471251  -0.01138600
 H    1.77685193   1.01868009   0.00000000
 C   -0.72667351   1.32318045  -0.23180347
 C   -1.18106177   1.49447968  -1.69936225
 H   -1.60339525   1.40316427   0.43702007
 H   -0.05597814   2.16364142   0.01154344
 C   -1.70399180   2.90676843  -1.98869821
 H   -0.32355376   1.27774640  -2.36300253
 H   -1.96436684   0.75955432  -1.94982739
 H   -2.15022987   2.90926361  -3.00716662
 H   -2.52556567   3.13894061  -1.28671539
 N   -0.64211415   3.90330546  -1.78179103
 H    0.02833044   3.84199163  -2.55614161
 H   -1.04001618   4.84604084  -1.83757037
 20
 Energy -2240.609348509  Dipole 3.531198 Gradient 0.00163006
 C    0.00000000   0.00000000   0.00000000
 C    1.35321273   0.00000000   0.00000000
 S    2.83315954  -0.94515395  -0.21290528
 S    2.58679351  -3.06872390  -0.28930394
 S    0.80391505  -3.44733468  -1.27448455
 S   -0.45835869  -3.12130655   0.39409979
 S   -1.27080778  -1.26363951  -0.02177341
 H    1.77477077   1.01955586   0.00000000
 C   -0.72545004   1.32632686  -0.21661295
 C   -1.17374999   1.52695368  -1.68195846
 H   -1.60545690   1.39403040   0.44958725
 H   -0.05685077   2.16252855   0.04659783
 C   -1.69646743   2.94525798  -1.94187788
 H   -0.31316319   1.32538658  -2.34635420
 H   -1.95542959   0.79684463  -1.95087974
 H   -2.13816509   2.97136318  -2.96186949
 H   -2.52097223   3.16029069  -1.23782931
 N   -0.63625344   3.93781283  -1.70726341
 H    0.03745663   3.89466955  -2.47995892
 H   -1.03521850   4.88103914  -1.74360083
 20
 Energy -2240.608371652  Dipole 3.520323 Gradient 0.00155793
 C    0.00000000   0.00000000   0.00000000
 C    1.35279520   0.00000000   0.00000000
 S    2.83925163  -0.94145447  -0.16852652
 S    2.59202260  -3.06785628  -0.35649583
 S    0.80659584  -3.40427529  -1.33990360
 S   -0.45571698  -3.12728333   0.33991832
 S   -1.27284922  -1.26217443  -0.03614059
 H    1.77298722   1.02018413   0.00000000
 C   -0.72387979   1.32963128  -0.19919327
 C   -1.16394215   1.56299046  -1.66153441
 H   -1.60814002   1.38342989   0.46278594
 H   -0.05775229   2.16059988   0.08621026
 C   -1.68545846   2.98732630  -1.88969364
 H   -0.29992466   1.37776788  -2.32628428
 H   -1.94401384   0.83928213  -1.95176399
 H   -2.12093683   3.03857630  -2.91146340
 H   -2.51454531   3.18553132  -1.18610568
 N   -0.62667760   3.97383557  -1.62428563
 H    0.05062623   3.95080052  -2.39478478
 H   -1.02579295   4.91760108  -1.63856332
 20
 Energy -2240.607414128  Dipole 3.515810 Gradient 0.00142976
 C    0.00000000   0.00000000   0.00000000
 C    1.35248010   0.00000000   0.00000000
 S    2.84217372  -0.94150552  -0.11962790
 S    2.59798734  -3.06487702  -0.42365765
 S    0.81146358  -3.36055455  -1.40567251
 S   -0.45505681  -3.13399323   0.28060747
 S   -1.27471401  -1.26059929  -0.05444844
 H    1.77151148   1.02064952   0.00000000
 C   -0.72203883   1.33288150  -0.18064661
 C   -1.15127904   1.60086011  -1.63983805
 H   -1.61169079   1.37150243   0.47549720
 H   -0.05906220   2.15741853   0.12992765
 C   -1.67112707   3.03097210  -1.83406705
 H   -0.28246034   1.43203027  -2.30265887
 H   -1.92945198   0.88463981  -1.95280556
 H   -2.10079288   3.11035903  -2.85637184
 H   -2.50383510   3.20917314  -1.12931014
 N   -0.61400440   4.00972751  -1.53499665
 H    0.06890683   4.00735720  -2.30078293
 H   -1.01273805   4.95370885  -1.52595557
 20
 Energy -2240.606501441  Dipole 3.524451 Gradient 0.00123351
 C    0.00000000   0.00000000   0.00000000
 C    1.35231900   0.00000000   0.00000000
 S    2.84134691  -0.94553140  -0.06848934
 S    2.60456437  -3.05911609  -0.49277296
 S    0.81766006  -3.31530268  -1.47330893
 S   -0.45619712  -3.14093701   0.21529630
 S   -1.27651397  -1.25841045  -0.07616165
 H    1.77049518   1.02080305   0.00000000
 C   -0.72023471   1.33624987  -0.15931466
 C   -1.13752896   1.64107098  -1.61427113
 H   -1.61535816   1.35894609   0.49021965
 H   -0.06026608   2.15304449   0.17715976
 C   -1.65406126   3.07679270  -1.77542550
 H   -0.26371366   1.48834261  -2.27445285
 H   -1.91403984   0.93413502  -1.95161315
 H   -2.07260257   3.18487035  -2.79966128
 H   -2.49303721   3.23493528  -1.07318843
 N   -0.59961755   4.04583864  -1.43727659
 H    0.09138052   4.06464099  -2.19563316
 H   -0.99820223   4.98944358  -1.40637044
 20
 Energy -2240.605716124  Dipole 3.550028 Gradient 0.00098680
 C    0.00000000   0.00000000   0.00000000
 C    1.35235837   0.00000000   0.00000000
 S    2.83622899  -0.95394020  -0.01514959
 S    2.61174306  -3.05075378  -0.55924180
 S    0.82443667  -3.27092125  -1.53714030
 S   -0.45871929  -3.14743668   0.14996446
 S   -1.27824867  -1.25559237  -0.09777435
 H    1.76982155   1.02082020   0.00000000
 C   -0.71849298   1.33913541  -0.13748241
 C   -1.12360255   1.68076255  -1.58697089
 H   -1.61909422   1.34570536   0.50505698
 H   -0.06180830   2.14724500   0.22550869
 C   -1.63631098   3.12101273  -1.71561954
 H   -0.24422324   1.54412804  -2.24329809
 H   -1.89790462   0.98358368  -1.94871744
 H   -2.04033290   3.25689801  -2.74239182
 H   -2.48585381   3.26431859  -1.02322140
 N   -0.58513291   4.07929374  -1.33856123
 H    0.11459112   4.11905765  -2.08796194
 H   -0.98337080   5.02196481  -1.28475114
 20
 Energy -2240.6050488  Dipole 3.593199 Gradient 0.00068476
 C    0.00000000   0.00000000   0.00000000
 C    1.35262225   0.00000000   0.00000000
 S    2.82664771  -0.96696073   0.03605065
 S    2.61964307  -3.03792548  -0.63205512
 S    0.83174929  -3.22288283  -1.60720975
 S   -0.46222607  -3.15372855   0.07509990
 S   -1.27973589  -1.25199351  -0.12290242
 H    1.76988425   1.02045420   0.00000000
 C   -0.71679988   1.34180624  -0.11224336
 C   -1.10888579   1.72399381  -1.55454215
 H   -1.62323925   1.33078847   0.52203325
 H   -0.06360520   2.13955173   0.27898101
 C   -1.61875620   3.16819167  -1.64515893
 H   -0.22409368   1.60542751  -2.20710087
 H   -1.88077204   1.03831445  -1.94250148
 H   -2.01159642   3.33570372  -2.67160837
 H   -2.47555321   3.29157249  -0.95792686
 N   -0.57078987   4.11335804  -1.22781074
 H    0.13624731   4.17586537  -1.96881573
 H   -0.96913496   5.05426138  -1.14917495
 20
 Energy -2240.604545991  Dipole 3.651705 Gradient 0.00035126
 C    0.00000000   0.00000000   0.00000000
 C    1.35315198   0.00000000   0.00000000
 S    2.81237786  -0.98477163   0.08766363
 S    2.62771502  -3.02315000  -0.69873670
 S    0.83869863  -3.17752603  -1.67026576
 S   -0.46698220  -3.15882427   0.00421264
 S   -1.28118960  -1.24768988  -0.14546464
 H    1.77066085   1.01980971   0.00000000
 C   -0.71531892   1.34381733  -0.08870178
 C   -1.09384650   1.76435635  -1.52328241
 H   -1.62803986   1.31589264   0.53620055
 H   -0.06631853   2.13074716   0.33045483
 C   -1.60118866   3.21131748  -1.57802324
 H   -0.20334856   1.66267146  -2.17087656
 H   -1.86308367   1.09032364  -1.93602201
 H   -1.98253389   3.40883898  -2.60339709
 H   -2.46534127   3.31588054  -0.89686440
 N   -0.55699768   4.14266435  -1.12206890
 H    0.15842521   4.22613042  -1.85282138
 H   -0.95520434   5.08126488  -1.01941478
 20
 Energy -2240.604232814  Dipole 3.730743 Gradient 0.00008518
 C    0.00000000   0.00000000   0.00000000
 C    1.35389723   0.00000000   0.00000000
 S    2.79413145  -1.00641298   0.13444858
 S    2.63702215  -3.00339417  -0.76966439
 S    0.84585508  -3.12922458  -1.73685265
 S   -0.47141772  -3.16291842  -0.07244174
 S   -1.28216565  -1.24297763  -0.16864483
 H    1.77211617   1.01888233   0.00000000
 C   -0.71431968   1.34513857  -0.06254230
 C   -1.07969123   1.80605699  -1.48752434
 H   -1.63288255   1.29983732   0.55276020
 H   -0.06947129   2.12007858   0.38446827
 C   -1.58568142   3.25445365  -1.50353060
 H   -0.18347696   1.72285773  -2.12983883
 H   -1.84549209   1.14459848  -1.92613917
 H   -1.95599050   3.48345512  -2.52636522
 H   -2.45694969   3.33888405  -0.82870585
 N   -0.54594880   4.17069583  -1.00829818
 H    0.17601758   4.27775809  -1.72949814
 H   -0.94546116   5.10549515  -0.87934713
 20
 Energy -2240.604125782  Dipole 3.824359  ZPE 0.137347  G(298.15) 59.39
 C    0.00000000   0.00000000   0.00000000
 C    1.35477480   0.00000000   0.00000000
 S    2.77224173  -1.03138133   0.17801749
 S    2.64729702  -2.98095012  -0.83585137
 S    0.85237421  -3.08388306  -1.79685731
 S   -0.47513922  -3.16585835  -0.14379536
 S   -1.28252279  -1.23850271  -0.18793190
 H    1.77430969   1.01769469   0.00000000
 C   -0.71402869   1.34559458  -0.03786377
 C   -1.06752377   1.84364687  -1.45269364
 H   -1.63790824   1.28390724   0.56806483
 H   -0.07344181   2.10870628   0.43487332
 C   -1.57261979   3.29231306  -1.43231803
 H   -0.16603276   1.77775276  -2.08955745
 H   -1.82976500   1.19439394  -1.91499534
 H   -1.93282991   3.55079506  -2.45166241
 H   -2.45022388   3.35792943  -0.76364305
 N   -0.53746616   4.19325731  -0.90077745
 H    0.19057133   4.32322758  -1.61193484
 H   -0.93883003   5.12329451  -0.74616226
 20
 Energy -2240.604231451  Dipole 3.924207 Gradient 0.00008518
 C    0.00000000   0.00000000   0.00000000
 C    1.35574192   0.00000000   0.00000000
 S    2.74721344  -1.05901618   0.21720457
 S    2.65850540  -2.95579627  -0.89845840
 S    0.85787185  -3.04150433  -1.85180966
 S   -0.47769092  -3.16797901  -0.21016218
 S   -1.28210244  -1.23471589  -0.20347942
 H    1.77732825   1.01619880   0.00000000
 C   -0.71446855   1.34523157  -0.01423292
 C   -1.05841295   1.87752496  -1.41829372
 H   -1.64267833   1.26825137   0.58333984
 H   -0.07788343   2.09680746   0.48179813
 C   -1.56296349   3.32553807  -1.36336649
 H   -0.15279255   1.82770287  -2.05069207
 H   -1.81776987   1.24015747  -1.90132350
 H   -1.91489669   3.61129155  -2.37828721
 H   -2.44581835   3.37397600  -0.70018867
 N   -0.53143041   4.21086787  -0.79973882
 H    0.20309813   4.35788270  -1.50087659
 H   -0.93253833   5.13718401  -0.62361354
 20
 Energy -2240.604544956  Dipole 4.029995 Gradient 0.00035798
 C    0.00000000   0.00000000   0.00000000
 C    1.35669667   0.00000000   0.00000000
 S    2.71966638  -1.08848713   0.25170554
 S    2.67055228  -2.92746057  -0.95813908
 S    0.86268475  -3.00111506  -1.90303886
 S   -0.47907834  -3.16927084  -0.27323326
 S   -1.28115102  -1.23165281  -0.21622814
 H    1.78115194   1.01446067   0.00000000
 C   -0.71555142   1.34418466   0.00848159
 C   -1.05224688   1.90845697  -1.38424516
 H   -1.64716636   1.25312274   0.59871913
 H   -0.08238862   2.08470940   0.52505054
 C   -1.55677322   3.35484624  -1.29588401
 H   -0.14374875   1.87402436  -2.01349213
 H   -1.80940561   1.28290292  -1.88575530
 H   -1.90195525   3.66632636  -2.30555614
 H   -2.44385879   3.38687942  -0.63746328
 N   -0.52853458   4.22504479  -0.70330501
 H    0.21096099   4.38808640  -1.39571192
 H   -0.93012949   5.14741744  -0.50839926
 20
 Energy -2240.605066704  Dipole 4.141676 Gradient 0.00069926
 C    0.00000000   0.00000000   0.00000000
 C    1.35757767   0.00000000   0.00000000
 S    2.69019207  -1.11911390   0.28124127
 S    2.68389253  -2.89598762  -1.01455850
 S    0.86733354  -2.96345890  -1.95074903
 S   -0.47875559  -3.17019648  -0.33258872
 S   -1.27924207  -1.22980743  -0.22599202
 H    1.78583179   1.01221032   0.00000000
 C   -0.71765037   1.34225185   0.03013066
 C   -1.04861144   1.93579302  -1.35119707
 H   -1.65213984   1.23705322   0.61354848
 H   -0.08852694   2.07232484   0.56605992
 C   -1.55416780   3.37962826  -1.23125044
 H   -0.13735428   1.91594519  -1.97698015
 H   -1.80338964   1.32088532  -1.86909657
 H   -1.89357654   3.71521138  -2.23503855
 H   -2.44494985   3.39526650  -0.57720704
 N   -0.52986275   4.23546543  -0.61182415
 H    0.21300579   4.41782904  -1.29560633
 H   -0.93344944   5.15149683  -0.39299045
 20
 Energy -2240.60577067  Dipole 4.252664 Gradient 0.00102452
 C    0.00000000   0.00000000   0.00000000
 C    1.35840029   0.00000000   0.00000000
 S    2.65911281  -1.15110558   0.30376127
 S    2.69811826  -2.85992094  -1.07300200
 S    0.87164957  -2.92433760  -2.00137583
 S   -0.47660696  -3.16981976  -0.39499638
 S   -1.27647273  -1.22857247  -0.23570877
 H    1.79113052   1.00984023   0.00000000
 C   -0.72028034   1.33971286   0.05292486
 C   -1.04673055   1.96267998  -1.31586434
 H   -1.65700490   1.22072105   0.62995545
 H   -0.09464074   2.05926913   0.60677448
 C   -1.55440120   3.40279813  -1.16327735
 H   -0.13352478   1.95884390  -1.93904635
 H   -1.79900867   1.35885522  -1.85015087
 H   -1.88847483   3.76271636  -2.16040286
 H   -2.44888188   3.40164649  -0.51417881
 N   -0.53433760   4.24392874  -0.51711367
 H    0.21076707   4.44554038  -1.19311384
 H   -0.94070576   5.15334324  -0.27677542
 20
 Energy -2240.606636677  Dipole 4.348539 Gradient 0.00131936
 C    0.00000000   0.00000000   0.00000000
 C    1.35901724   0.00000000   0.00000000
 S    2.62719017  -1.18184254   0.32631600
 S    2.71338256  -2.82541869  -1.11641059
 S    0.87560715  -2.89587306  -2.03716847
 S   -0.47203215  -3.17064376  -0.44106807
 S   -1.27286594  -1.22961221  -0.23783304
 H    1.79697272   1.00705000   0.00000000
 C   -0.72371709   1.33674932   0.06896857
 C   -1.04714452   1.98133810  -1.29000047
 H   -1.66233566   1.20633860   0.64057400
 H   -0.10226343   2.04845830   0.63736699
 C   -1.55814998   3.41745662  -1.11244673
 H   -0.13205817   1.99030672  -1.91027178
 H   -1.79671735   1.38501354  -1.83627340
 H   -1.88782899   3.79585913  -2.10408149
 H   -2.45568874   3.40210523  -0.46773475
 N   -0.54281734   4.24767784  -0.44512850
 H    0.20639045   4.46253277  -1.11234250
 H   -0.95165765   5.15182967  -0.18970367
 20
 Energy -2240.607642817  Dipole 4.438204 Gradient 0.00157282
 C    0.00000000   0.00000000   0.00000000
 C    1.35944522   0.00000000   0.00000000
 S    2.59535190  -1.21249467   0.34116503
 S    2.72965387  -2.78613089  -1.16260154
 S    0.87889779  -2.86672270  -2.07610297
 S   -0.46456372  -3.17066693  -0.48913501
 S   -1.26822686  -1.23179676  -0.23981765
 H    1.80326545   1.00414072   0.00000000
 C   -0.72803846   1.33297010   0.08618560
 C   -1.05016695   1.99911218  -1.26221486
 H   -1.66786548   1.19087531   0.65286992
 H   -0.11047479   2.03737444   0.66773277
 C   -1.56581532   3.43031866  -1.05896317
 H   -0.13416646   2.02224457  -1.88073397
 H   -1.79700134   1.41028946  -1.82026187
 H   -1.89256426   3.82701912  -2.04441927
 H   -2.46589653   3.40022056  -0.41838744
 N   -0.55532226   4.24982454  -0.37138968
 H    0.19567579   4.47993163  -1.03155919
 H   -0.96742681   5.14771744  -0.09967636
 20
 Energy -2240.608770143  Dipole 4.512650 Gradient 0.00178853
 C    0.00000000   0.00000000   0.00000000
 C    1.35972387   0.00000000   0.00000000
 S    2.56375196  -1.24125260   0.35532732
 S    2.74676703  -2.74809741  -1.19741446
 S    0.88193662  -2.84704173  -2.10432165
 S   -0.45420547  -3.17214362  -0.52412613
 S   -1.26271605  -1.23598181  -0.23675649
 H    1.80980420   1.00088656   0.00000000
 C   -0.73273103   1.32924849   0.09757220
 C   -1.05512693   2.01017659  -1.24293399
 H   -1.67325723   1.17782771   0.66079336
 H   -0.11917504   2.02886863   0.68896659
 C   -1.57638182   3.43658434  -1.02045334
 H   -0.13832844   2.04515735  -1.85961969
 H   -1.79903129   1.42561958  -1.80922590
 H   -1.90090539   3.84686999  -2.00096031
 H   -2.47844845   3.39389404  -0.38337005
 N   -0.57105688   4.24921240  -0.31726826
 H    0.18145353   4.49223886  -0.97094614
 H   -0.98738849   5.14107860  -0.03254718
 20
 Energy -2240.609992072  Dipole 4.573761 Gradient 0.00196680
 C    0.00000000   0.00000000   0.00000000
 C    1.35976175   0.00000000   0.00000000
 S    2.53323564  -1.26873652   0.36464083
 S    2.76457508  -2.70774497  -1.23061458
 S    0.88443178  -2.83075267  -2.13139070
 S   -0.44067573  -3.17374191  -0.55573027
 S   -1.25628837  -1.24160646  -0.23226876
 H    1.81677016   0.99749276   0.00000000
 C   -0.73800587   1.32505046   0.10798135
 C   -1.06234748   2.01845777  -1.22534405
 H   -1.67856039   1.16478854   0.66857626
 H   -0.12811675   2.02144938   0.70687452
 C   -1.59047751   3.43968041  -0.98557408
 H   -0.14563712   2.06506108  -1.84136159
 H   -1.80336276   1.43695518  -1.79853431
 H   -1.91451079   3.86146831  -1.96138490
 H   -2.49389140   3.38456408  -0.35138015
 N   -0.59044252   4.24710206  -0.26896905
 H    0.16238683   4.50241508  -0.91767551
 H   -1.01129577   5.13318366   0.02696692
 20
 Energy -2240.611288663  Dipole 4.619692 Gradient 0.00210759
 C    0.00000000   0.00000000   0.00000000
 C    1.35968547   0.00000000   0.00000000
 S    2.50417749  -1.29407047   0.37243463
 S    2.78298149  -2.66781628  -1.25675314
 S    0.88658787  -2.82222456  -2.15194099
 S   -0.42407472  -3.17638474  -0.57804151
 S   -1.24904271  -1.24866155  -0.22460354
 H    1.82351233   0.99392961   0.00000000
 C   -0.74356469   1.32102182   0.11432295
 C   -1.07140961   2.02183441  -1.21396044
 H   -1.68348149   1.15356093   0.67406172
 H   -0.13718257   2.01625227   0.71804905
 C   -1.60727359   3.43811783  -0.96163230
 H   -0.15492091   2.07858907  -1.82939875
 H   -1.80933908   1.44067334  -1.79138074
 H   -1.93147380   3.86786376  -1.93379975
 H   -2.51143054   3.37216891  -0.32953260
 N   -0.61266338   4.24357510  -0.23523757
 H    0.13990221   4.50981031  -0.87973486
 H   -1.03885339   5.12408533   0.06950376
 20
 Energy -2240.612635506  Dipole 4.652457 Gradient 0.00221225
 C    0.00000000   0.00000000   0.00000000
 C    1.35938082   0.00000000   0.00000000
 S    2.47704816  -1.31767465   0.37652920
 S    2.80140748  -2.62666143  -1.28115995
 S    0.88796182  -2.81844706  -2.17075162
 S   -0.40474532  -3.17937106  -0.59574127
 S   -1.24118255  -1.25664776  -0.21574663
 H    1.83037503   0.99036120   0.00000000
 C   -0.74937184   1.31691706   0.11904408
 C   -1.08219183   2.02225627  -1.20541047
 H   -1.68803668   1.14300975   0.67881891
 H   -0.14601365   2.01259518   0.72522114
 C   -1.62657853   3.43365858  -0.94322925
 H   -0.16689865   2.08851267  -1.82167007
 H   -1.81727373   1.44000394  -1.78538215
 H   -1.95278855   3.86895040  -1.91231427
 H   -2.53102326   3.35738601  -0.31271163
 N   -0.63753772   4.23926429  -0.20942345
 H    0.11356676   4.51596656  -0.85131917
 H   -1.06948088   5.11435481   0.10274864
 20
 Energy -2240.614019351  Dipole 4.670993 Gradient 0.00228342
 C    0.00000000   0.00000000   0.00000000
 C    1.35898113   0.00000000   0.00000000
 S    2.45233610  -1.33882674   0.37895518
 S    2.81986201  -2.58556259  -1.30132957
 S    0.88907049  -2.82166045  -2.18493519
 S   -0.38262010  -3.18330365  -0.60543992
 S   -1.23273352  -1.26570462  -0.20458130
 H    1.83678277   0.98674416   0.00000000
 C   -0.75515120   1.31300633   0.12070224
 C   -1.09480809   2.01854922  -1.20178674
 H   -1.69195258   1.13415822   0.68220418
 H   -0.15456597   2.01108956   0.72680735
 C   -1.64859905   3.42530630  -0.93375056
 H   -0.18102076   2.09288718  -1.81928465
 H   -1.82695397   1.43275937  -1.78182256
 H   -1.97708276   3.86288782  -1.90090784
 H   -2.55256337   3.34008969  -0.30368628
 N   -0.66518861   4.23419056  -0.19585540
 H    0.08393783   4.51958695  -0.83614086
 H   -1.10340648   5.10448270   0.12094248
 20
 Energy -2240.615423186  Dipole 4.677426 Gradient 0.00232376
 C    0.00000000   0.00000000   0.00000000
 C    1.35845237   0.00000000   0.00000000
 S    2.43043800  -1.35784539   0.37845354
 S    2.83741016  -2.54399499  -1.32054193
 S    0.88898783  -2.83031782  -2.19676033
 S   -0.35838950  -3.18751934  -0.60935026
 S   -1.22399333  -1.27517062  -0.19192566
 H    1.84293729   0.98328206   0.00000000
 C   -0.76050750   1.30952246   0.12042608
 C   -1.10919826   2.01189898  -1.20123144
 H   -1.69414087   1.12774008   0.68611107
 H   -0.16128064   2.01154496   0.72327952
 C   -1.67295041   3.41425711  -0.93015914
 H   -0.19802023   2.09348136  -1.82172350
 H   -1.83878400   1.42074491  -1.77912487
 H   -2.00532232   3.85146632  -1.89620564
 H   -2.57574431   3.32123532  -0.29956104
 N   -0.69493630   4.22879678  -0.19119751
 H    0.05139408   4.52151573  -0.83154046
 H   -1.13943926   5.09494991   0.12817200
 20
 Energy -2240.61681518  Dipole 4.674671 Gradient 0.00233650
 C    0.00000000   0.00000000   0.00000000
 C    1.35786358   0.00000000   0.00000000
 S    2.41168068  -1.37463745   0.37516700
 S    2.85409219  -2.50199253  -1.33961154
 S    0.88832068  -2.84429566  -2.20666361
 S   -0.33184545  -3.19209015  -0.60801131
 S   -1.21482961  -1.28527369  -0.17854952
 H    1.84853617   0.97993553   0.00000000
 C   -0.76565488   1.30622164   0.11829988
 C   -1.12529610   2.00212399  -1.20387646
 H   -1.69553910   1.12225185   0.68956198
 H   -0.16740427   2.01384185   0.71550648
 C   -1.69966687   3.40024665  -0.93248196
 H   -0.21735266   2.08988351  -1.82817713
 H   -1.85248687   1.40384538  -1.77734640
 H   -2.03728991   3.83451724  -1.89794199
 H   -2.60047932   3.30003138  -0.30013169
 N   -0.72694487   4.22291811  -0.19539108
 H    0.01559814   4.52198078  -0.83712174
 H   -1.17812562   5.08525446   0.12496353
 20
 Energy -2240.618183267  Dipole 4.664257 Gradient 0.00231042
 C    0.00000000   0.00000000   0.00000000
 C    1.35716733   0.00000000   0.00000000
 S    2.39610984  -1.38909044   0.37027923
 S    2.86979972  -2.45996033  -1.35790335
 S    0.88777042  -2.86373062  -2.21393682
 S   -0.30324689  -3.19685200  -0.60122289
 S   -1.20535061  -1.29567104  -0.16495618
 H    1.85363726   0.97685520   0.00000000
 C   -0.77059979   1.30326366   0.11391398
 C   -1.14245536   1.98922342  -1.21015016
 H   -1.69603708   1.11888839   0.69210221
 H   -0.17262342   2.01788611   0.70292237
 C   -1.72802412   3.38337656  -0.94171244
 H   -0.23828409   2.08193719  -1.83935883
 H   -1.86723074   1.38206259  -1.77732478
 H   -2.07183018   3.81193299  -1.90759475
 H   -2.62634015   3.27718121  -0.30683415
 N   -0.76080403   4.21670939  -0.20925776
 H   -0.02282832   4.52110740  -0.85381504
 H   -1.21901759   5.07562981   0.11027678
 20
 Energy -2240.619511048  Dipole 4.648221 Gradient 0.00225514
 C    0.00000000   0.00000000   0.00000000
 C    1.35641587   0.00000000   0.00000000
 S    2.38376413  -1.40168857   0.36222590
 S    2.88362976  -2.41735358  -1.37867555
 S    0.88632279  -2.88654337  -2.22079560
 S   -0.27344580  -3.20101196  -0.59157433
 S   -1.19593633  -1.30575027  -0.15193264
 H    1.85819979   0.97390297   0.00000000
 C   -0.77493917   1.30076860   0.10874604
 C   -1.16053072   1.97451487  -1.21781930
 H   -1.69541655   1.11672835   0.69498477
 H   -0.17645199   2.02301034   0.68778098
 C   -1.75760266   3.36484432  -0.95422444
 H   -0.26101555   2.07143125  -1.85299218
 H   -1.88316711   1.35729175  -1.77673388
 H   -2.10844925   3.78566437  -1.92091516
 H   -2.65282471   3.25348399  -0.31580558
 N   -0.79573844   4.21057179  -0.22884718
 H   -0.06316461   4.51943982  -0.87736861
 H   -1.26115783   5.06634454   0.08873590
 20
 Energy -2240.620776909  Dipole 4.628120 Gradient 0.00216559
 C    0.00000000   0.00000000   0.00000000
 C    1.35567433   0.00000000   0.00000000
 S    2.37483782  -1.41221916   0.35094116
 S    2.89491887  -2.37471539  -1.40242538
 S    0.88338015  -2.91293438  -2.22641658
 S   -0.24270888  -3.20464788  -0.57828597
 S   -1.18673684  -1.31562222  -0.13889576
 H    1.86208378   0.97139117   0.00000000
 C   -0.77887418   1.29856887   0.10296783
 C   -1.17968549   1.95775548  -1.22660632
 H   -1.69344799   1.11615991   0.69881206
 H   -0.17905629   2.02914803   0.66993272
 C   -1.78874561   3.34428960  -0.96982260
 H   -0.28551878   2.05835342  -1.86865046
 H   -1.90013301   1.32903255  -1.77559294
 H   -2.14802010   3.75512900  -1.93776367
 H   -2.67995199   3.22869280  -0.32659374
 N   -0.83196354   4.20431287  -0.25448611
 H   -0.10571299   4.51649459  -0.90857050
 H   -1.30457076   5.05736273   0.05979492
 20
 Energy -2240.621963558  Dipole 4.604594 Gradient 0.00205030
 C    0.00000000   0.00000000   0.00000000
 C    1.35492058   0.00000000   0.00000000
 S    2.36933353  -1.42079331   0.33685627
 S    2.90318033  -2.33234148  -1.42918747
 S    0.87914196  -2.94246181  -2.23059217
 S   -0.21154574  -3.20745901  -0.56190488
 S   -1.17789511  -1.32493424  -0.12661253
 H    1.86545608   0.96901879   0.00000000
 C   -0.78207305   1.29688858   0.09647347
 C   -1.19936547   1.93931838  -1.23647554
 H   -1.68981026   1.11774764   0.70371257
 H   -0.17970267   2.03610372   0.64926634
 C   -1.82071974   3.32207638  -0.98846719
 H   -0.31107649   2.04251522  -1.88617926
 H   -1.91758488   1.29821583  -1.77388716
 H   -2.18949706   3.72068364  -1.95791245
 H   -2.70713602   3.20315137  -0.33922832
 N   -0.86886657   4.19811270  -0.28599137
 H   -0.14978651   4.51232454  -0.94694372
 H   -1.34870500   5.04884513   0.02362102
 20
 Energy -2240.623063451  Dipole 4.577657 Gradient 0.00190775
 C    0.00000000   0.00000000   0.00000000
 C    1.35415678   0.00000000   0.00000000
 S    2.36712488  -1.42744941   0.32036449
 S    2.90799147  -2.29103908  -1.45849701
 S    0.87344027  -2.97526195  -2.23232471
 S   -0.18060889  -3.20954516  -0.54214039
 S   -1.16968713  -1.33351787  -0.11523450
 H    1.86801787   0.96717766   0.00000000
 C   -0.78442660   1.29582416   0.08901447
 C   -1.21907708   1.91904561  -1.24783237
 H   -1.68484983   1.12144531   0.70833251
 H   -0.17891128   2.04416500   0.62573406
 C   -1.85288159   3.29815823  -1.01084430
 H   -0.33726289   2.02336166  -1.90615908
 H   -1.93530742   1.26472902  -1.77189029
 H   -2.23253305   3.68210007  -1.98211534
 H   -2.73392582   3.17695701  -0.35475673
 N   -0.90602063   4.19198654  -0.32423446
 H   -0.19474670   4.50667141  -0.99341333
 H   -1.39310939   5.04089689  -0.02098744
 20
 Energy -2240.624058971  Dipole 4.547288 Gradient 0.00175157
 C    0.00000000   0.00000000   0.00000000
 C    1.35346486   0.00000000   0.00000000
 S    2.36805345  -1.43211369   0.30160786
 S    2.90877022  -2.25147734  -1.49040347
 S    0.86606759  -3.01109565  -2.23089858
 S   -0.15055892  -3.21103295  -0.51902461
 S   -1.16231534  -1.34126291  -0.10492223
 H    1.86993817   0.96564023   0.00000000
 C   -0.78591195   1.29540895   0.08061839
 C   -1.23866230   1.89694219  -1.26060559
 H   -1.67842768   1.12788428   0.71315432
 H   -0.17616437   2.05290037   0.59923976
 C   -1.88521127   3.27236933  -1.03716840
 H   -0.36371026   2.00100211  -1.92801384
 H   -1.95195369   1.22709028  -1.76874618
 H   -2.27584055   3.63915860  -2.01066710
 H   -2.75993157   3.15066642  -0.37278140
 N   -0.94315663   4.18559830  -0.36954758
 H   -0.24026892   4.49884612  -1.04816913
 H   -1.43746631   5.03330303  -0.07466592
 20
 Energy -2240.624943935  Dipole 4.515489 Gradient 0.00158219
 C    0.00000000   0.00000000   0.00000000
 C    1.35274763   0.00000000   0.00000000
 S    2.37170587  -1.43497465   0.28087904
 S    2.90451608  -2.21470843  -1.52465819
 S    0.85630943  -3.04999434  -2.22558650
 S   -0.12254183  -3.21180045  -0.49236291
 S   -1.15622627  -1.34782938  -0.09564863
 H    1.87097279   0.96464116   0.00000000
 C   -0.78721678   1.29535869   0.07113214
 C   -1.25781773   1.87293559  -1.27475889
 H   -1.67136779   1.13590680   0.71721169
 H   -0.17277496   2.06234242   0.56979059
 C   -1.91673404   3.24505030  -1.06750775
 H   -0.38988328   1.97506216  -1.95163165
 H   -1.96950328   1.18947449  -1.76687232
 H   -2.31900083   3.59201973  -2.04360703
 H   -2.78484857   3.12466158  -0.39428362
 N   -0.97953123   4.17890027  -0.42206301
 H   -0.28521332   4.48836440  -1.11121025
 H   -1.48077651   5.02614518  -0.13769012
 20
 Energy -2240.625746555  Dipole 4.480153 Gradient 0.00140477
 C    0.00000000   0.00000000   0.00000000
 C    1.35218956   0.00000000   0.00000000
 S    2.37789231  -1.43617605   0.25845429
 S    2.89435391  -2.18200840  -1.56069821
 S    0.84322926  -3.09210678  -2.21483401
 S   -0.09751742  -3.21197789  -0.46088277
 S   -1.15146842  -1.35299725  -0.08631809
 H    1.87156260   0.96393657   0.00000000
 C   -0.78730690   1.29569258   0.06108929
 C   -1.27632979   1.84742515  -1.28953015
 H   -1.66272879   1.14635663   0.72133917
 H   -0.16757646   2.07200192   0.53818611
 C   -1.94657706   3.21661846  -1.10094950
 H   -0.41574401   1.94522451  -1.97634973
 H   -1.98643924   1.14953939  -1.76333864
 H   -2.36123029   3.54122755  -2.07960094
 H   -2.80748412   3.09985990  -0.41786461
 N   -1.01360447   4.17187612  -0.48141051
 H   -0.32801137   4.47457402  -1.18219648
 H   -1.52113905   5.01963790  -0.20996056
 20
 Energy -2240.626434138  Dipole 4.441343 Gradient 0.00123311
 C    0.00000000   0.00000000   0.00000000
 C    1.35164284   0.00000000   0.00000000
 S    2.38610851  -1.43535805   0.23582554
 S    2.87915647  -2.15387432  -1.59639019
 S    0.82855312  -3.13713162  -2.19746681
 S   -0.07533237  -3.21191912  -0.42469282
 S   -1.14804616  -1.35708974  -0.07789318
 H    1.87123964   0.96378987   0.00000000
 C   -0.78648570   1.29670486   0.04969826
 C   -1.29366518   1.81998480  -1.30597410
 H   -1.65294583   1.15936229   0.72410673
 H   -0.16071635   2.08193407   0.50358504
 C   -1.97489032   3.18639919  -1.13905827
 H   -0.44057956   1.91138011  -2.00299487
 H   -2.00188483   1.10665707  -1.75922567
 H   -2.40210205   3.48611748  -2.12033114
 H   -2.82808355   3.07589739  -0.44534027
 N   -1.04558031   4.16360072  -0.54900613
 H   -0.36879393   4.45648764  -1.26244910
 H   -1.55877270   5.01276167  -0.29291444
 20
 Energy -2240.627021353  Dipole 4.400683 Gradient 0.00106035
 C    0.00000000   0.00000000   0.00000000
 C    1.35119399   0.00000000   0.00000000
 S    2.39550422  -1.43332253   0.21288481
 S    2.85810867  -2.13124948  -1.63171432
 S    0.81164351  -3.18422675  -2.17406825
 S   -0.05735199  -3.21144396  -0.38482093
 S   -1.14624905  -1.35961725  -0.07061720
 H    1.87052979   0.96389822   0.00000000
 C   -0.78541996   1.29792923   0.03728012
 C   -1.30907204   1.79158004  -1.32366829
 H   -1.64351821   1.17375322   0.72476866
 H   -0.15379477   2.09175977   0.46731119
 C   -2.00018877   3.15547301  -1.18059699
 H   -0.46283190   1.87455861  -2.03002693
 H   -2.01565042   1.06378568  -1.75597349
 H   -2.44013334   3.42842616  -2.16411345
 H   -2.84537276   3.05353534  -0.47580759
 N   -1.07384769   4.15419333  -0.62305885
 H   -0.40563347   4.43420469  -1.34964092
 H   -1.59178201   5.00557642  -0.38438199
 20
 Energy -2240.627514138  Dipole 4.358788 Gradient 0.00090373
 C    0.00000000   0.00000000   0.00000000
 C    1.35079615   0.00000000   0.00000000
 S    2.40547018  -1.43038750   0.18992328
 S    2.83085675  -2.11518736  -1.66588281
 S    0.79204469  -3.23341341  -2.14400029
 S   -0.04387329  -3.21066927  -0.34052752
 S   -1.14591815  -1.36083379  -0.06352152
 H    1.86948436   0.96424007   0.00000000
 C   -0.78403141   1.29918152   0.02418328
 C   -1.32249726   1.76241270  -1.34205570
 H   -1.63425109   1.18871865   0.72354540
 H   -0.14683152   2.10092194   0.43056910
 C   -2.02173644   3.12426733  -1.22483201
 H   -0.48264707   1.83449641  -2.05723411
 H   -2.02779620   1.02082973  -1.75250653
 H   -2.47436094   3.36910069  -2.21009498
 H   -2.85861040   3.03380775  -0.50862797
 N   -1.09714960   4.14338479  -0.70269786
 H   -0.43710578   4.40734597  -1.44268034
 H   -1.61864329   4.99786188  -0.48350445
 20
 Energy -2240.627925699  Dipole 4.320482 Gradient 0.00075027
 C    0.00000000   0.00000000   0.00000000
 C    1.35046448   0.00000000   0.00000000
 S    2.41560922  -1.42659071   0.16778599
 S    2.79861437  -2.10534874  -1.69751101
 S    0.77125758  -3.28384060  -2.10754066
 S   -0.03426482  -3.20961069  -0.29253955
 S   -1.14668364  -1.36102031  -0.05725101
 H    1.86812884   0.96478146   0.00000000
 C   -0.78255911   1.30035051   0.01009672
 C   -1.33333279   1.73307938  -1.36160956
 H   -1.62600809   1.20411071   0.71959106
 H   -0.14039198   2.10946928   0.39336482
 C   -2.03856571   3.09355331  -1.27172006
 H   -0.49893454   1.79235602  -2.08430290
 H   -2.03806742   0.97949421  -1.75058598
 H   -2.50320286   3.30993408  -2.25812802
 H   -2.86732120   3.01728881  -0.54449509
 N   -1.11442681   4.13088367  -0.78658193
 H   -0.46283322   4.37820354  -1.53979658
 H   -1.63819227   4.98863781  -0.58619323
 20
 Energy -2240.628245314  Dipole 4.284172 Gradient 0.00060552
 C    0.00000000   0.00000000   0.00000000
 C    1.35017191   0.00000000   0.00000000
 S    2.42558001  -1.42219164   0.14661769
 S    2.76205304  -2.10112457  -1.72623446
 S    0.74979991  -3.33452685  -2.06535837
 S   -0.02795368  -3.20814095  -0.24145725
 S   -1.14822875  -1.36046411  -0.05119615
 H    1.86649316   0.96554273   0.00000000
 C   -0.78105641   1.30129401  -0.00396775
 C   -1.34121139   1.70496314  -1.38107917
 H   -1.61915625   1.21887971   0.71341496
 H   -0.13468244   2.11684674   0.35796378
 C   -2.04941584   3.06502218  -1.31901369
 H   -0.51118662   1.74950442  -2.10988322
 H   -2.04633473   0.94139617  -1.74940402
 H   -2.52477343   3.25401330  -2.30600610
 H   -2.87064698   3.00550683  -0.58171758
 N   -1.12352813   4.11720165  -0.87091418
 H   -0.47940573   4.34443539  -1.63666791
 H   -1.64752285   4.97897487  -0.68938128
 20
 Energy -2240.628492423  Dipole 4.251711 Gradient 0.00046724
 C    0.00000000   0.00000000   0.00000000
 C    1.34995019   0.00000000   0.00000000
 S    2.43445688  -1.41807230   0.12657561
 S    2.72255050  -2.10267265  -1.75134436
 S    0.72807578  -3.38500283  -2.01846201
 S   -0.02462375  -3.20619922  -0.18839704
 S   -1.15037640  -1.35934658  -0.04533400
 H    1.86508759   0.96620611   0.00000000
 C   -0.77947967   1.30211714  -0.01790045
 C   -1.34526699   1.67949663  -1.40044420
 H   -1.61382179   1.23265753   0.70503984
 H   -0.12961235   2.12300661   0.32527428
 C   -2.05138356   3.04125559  -1.36628392
 H   -0.51805942   1.70680144  -2.13330306
 H   -2.05290669   0.90942031  -1.74991065
 H   -2.53441660   3.20563232  -2.35402089
 H   -2.86685861   3.00151371  -0.62131909
 N   -1.12060848   4.10305013  -0.95279679
 H   -0.48087638   4.30758161  -1.72858941
 H   -1.64163917   4.97075667  -0.79205128
 20
 Energy -2240.628670616  Dipole 4.227988 Gradient 0.00035494
 C    0.00000000   0.00000000   0.00000000
 C    1.34972714   0.00000000   0.00000000
 S    2.44308827  -1.41352495   0.10917829
 S    2.68360509  -2.10835704  -1.77122972
 S    0.70909300  -3.43298239  -1.96905427
 S   -0.02263218  -3.20351332  -0.13570933
 S   -1.15240139  -1.35805314  -0.04013308
 H    1.86362108   0.96691874   0.00000000
 C   -0.77750983   1.30301273  -0.03097876
 C   -1.34363349   1.65927505  -1.41921951
 H   -1.61078027   1.24485165   0.69402009
 H   -0.12497789   2.12760783   0.29816329
 C   -2.04126293   3.02549837  -1.41131053
 H   -0.51731817   1.66736670  -2.15360631
 H   -2.05634252   0.88706687  -1.75336806
 H   -2.52844774   3.17067178  -2.40005606
 H   -2.85308741   3.00759137  -0.66152357
 N   -1.10163273   4.09019870  -1.02676502
 H   -0.46380381   4.27178468  -1.80980562
 H   -1.61597598   4.96508067  -0.88443897
 20
 Energy -2240.628808536  Dipole 4.214442 Gradient 0.00026362
 C    0.00000000   0.00000000   0.00000000
 C    1.34966711   0.00000000   0.00000000
 S    2.45013877  -1.40910469   0.09525901
 S    2.64847771  -2.11658686  -1.78521699
 S    0.69460415  -3.47607226  -1.92059459
 S   -0.02126003  -3.20060500  -0.08684066
 S   -1.15450622  -1.35673249  -0.03575846
 H    1.86231867   0.96761598   0.00000000
 C   -0.77532652   1.30391088  -0.04216147
 C   -1.33523438   1.64689045  -1.43644011
 H   -1.61084171   1.25402577   0.68069279
 H   -0.12151097   2.13047593   0.27967451
 C   -2.01717275   3.02079375  -1.45073257
 H   -0.50731018   1.63520362  -2.16894865
 H   -2.05564173   0.87781843  -1.76120340
 H   -2.50452554   3.15440078  -2.44099400
 H   -2.82770789   3.02572900  -0.69928845
 N   -1.06395738   4.08057472  -1.08680883
 H   -0.42504734   4.23981848  -1.87382132
 H   -1.56712429   4.96425814  -0.95971636
 20
 Energy -2240.628909097  Dipole 4.213771 Gradient 0.00019024
 C    0.00000000   0.00000000   0.00000000
 C    1.34961422   0.00000000   0.00000000
 S    2.45567721  -1.40533561   0.08569829
 S    2.62012645  -2.12713312  -1.79244752
 S    0.68478177  -3.51464468  -1.87413814
 S   -0.01992655  -3.19770911  -0.04222886
 S   -1.15593268  -1.35559827  -0.03225403
 H    1.86140140   0.96811985   0.00000000
 C   -0.77295332   1.30487248  -0.05131195
 C   -1.32208313   1.64116967  -1.45161501
 H   -1.61284583   1.26088543   0.66666299
 H   -0.11846001   2.13184372   0.26836746
 C   -1.98093830   3.02597123  -1.48430341
 H   -0.49131011   1.60813920  -2.18025307
 H   -2.05338240   0.88029887  -1.77136270
 H   -2.46402990   3.15546934  -2.47717244
 H   -2.79261836   3.05435434  -0.73464745
 N   -1.01013162   4.07360297  -1.13199044
 H   -0.36725451   4.21187315  -1.91971208
 H   -1.49795136   4.96740068  -1.01648660
 20
 Energy -2240.628989048  Dipole 4.223462 Gradient 0.00014544
 C    0.00000000   0.00000000   0.00000000
 C    1.34960237   0.00000000   0.00000000
 S    2.46046532  -1.40166474   0.08083770
 S    2.59914934  -2.14048757  -1.79262898
 S    0.67942114  -3.54847659  -1.83020829
 S   -0.01885877  -3.19464371  -0.00211407
 S   -1.15694939  -1.35467035  -0.02958691
 H    1.86030918   0.96872569   0.00000000
 C   -0.77032921   1.30604970  -0.05820451
 C   -1.30461198   1.64207410  -1.46433426
 H   -1.61636550   1.26526883   0.65250737
 H   -0.11588384   2.13208637   0.26443789
 C   -1.93510485   3.03969338  -1.51107044
 H   -0.46988223   1.58802579  -2.18715714
 H   -2.04839327   0.89322227  -1.78367573
 H   -2.41037655   3.17148778  -2.50738536
 H   -2.74960570   3.09102056  -0.76576813
 N   -0.94409077   4.06941501  -1.16213054
 H   -0.29505483   4.18855142  -1.94790596
 H   -1.41341999   4.97402102  -1.05464554
 20
 Energy -2240.629034484  Dipole 4.237581 Gradient 0.00010540
 C    0.00000000   0.00000000   0.00000000
 C    1.34961617   0.00000000   0.00000000
 S    2.46486435  -1.39816561   0.07746679
 S    2.58098476  -2.15337909  -1.79121321
 S    0.67627728  -3.57914887  -1.78823160
 S   -0.01736631  -3.19111798   0.03520986
 S   -1.15787153  -1.35384978  -0.02706752
 H    1.85937109   0.96927915   0.00000000
 C   -0.76772538   1.30725831  -0.06357813
 C   -1.28663876   1.64651542  -1.47473828
 H   -1.62012089   1.26841861   0.63937125
 H   -0.11347484   2.13169860   0.26395062
 C   -1.88705473   3.05710768  -1.53157515
 H   -0.44843429   1.57261547  -2.19175266
 H   -2.04341395   0.91162096  -1.79597901
 H   -2.35376607   3.19449751  -2.53111985
 H   -2.70423727   3.12999282  -0.79104246
 N   -0.87542105   4.06647390  -1.18217957
 H   -0.22028980   4.16839806  -1.96529787
 H   -1.32519134   4.98152257  -1.07973779
 20
 Energy -2240.629063062  Dipole 4.252526 Gradient 0.00007209
 C    0.00000000   0.00000000   0.00000000
 C    1.34962219   0.00000000   0.00000000
 S    2.46917198  -1.39475835   0.07390201
 S    2.56312634  -2.16628607  -1.78945295
 S    0.67347487  -3.60858525  -1.74645350
 S   -0.01561013  -3.18685711   0.07178998
 S   -1.15873418  -1.35313426  -0.02531662
 H    1.85846396   0.96977997   0.00000000
 C   -0.76480825   1.30863265  -0.06834284
 C   -1.27147775   1.65113775  -1.48321963
 H   -1.62192596   1.27256048   0.62881834
 H   -0.10967120   2.13125082   0.26247240
 C   -1.84060875   3.07449017  -1.54812493
 H   -0.43220403   1.55667698  -2.19652525
 H   -2.04258580   0.93124984  -1.80439543
 H   -2.30073272   3.21822543  -2.54975353
 H   -2.65835452   3.16899878  -0.81064522
 N   -0.80753112   4.06219950  -1.19947978
 H   -0.14803783   4.14676219  -1.98096245
 H   -1.23676079   4.98743258  -1.10078767
 20
 Energy -2240.62906741  Dipole 4.258560 Gradient 0.00003755
 C    0.00000000   0.00000000   0.00000000
 C    1.34967499   0.00000000   0.00000000
 S    2.47344709  -1.39138566   0.06993237
 S    2.54673980  -2.17809145  -1.78801598
 S    0.67147880  -3.63466174  -1.70785206
 S   -0.01350090  -3.18289064   0.10521717
 S   -1.15891295  -1.35279338  -0.02234224
 H    1.85769611   0.97027848   0.00000000
 C   -0.76248261   1.30982195  -0.07257865
 C   -1.25353584   1.65644276  -1.49201264
 H   -1.62607507   1.27497515   0.61641440
 H   -0.10791989   2.13046540   0.26458971
 C   -1.79789970   3.08918893  -1.56446678
 H   -0.41056938   1.54690715  -2.19878330
 H   -2.03369953   0.94837990  -1.81757154
 H   -2.24865282   3.23808936  -2.56953908
 H   -2.61846934   3.20033820  -0.83246839
 N   -0.74943101   4.05927825  -1.21202226
 H   -0.08254667   4.12784542  -1.98882015
 H   -1.16213857   4.99275662  -1.12076914
 20
 Energy -2240.62907675  Dipole 4.274605 Gradient 0.00003725
 C    0.00000000   0.00000000   0.00000000
 C    1.34969815   0.00000000   0.00000000
 S    2.47512762  -1.38978287   0.07404445
 S    2.54177362  -2.19121151  -1.77789052
 S    0.67350831  -3.65320264  -1.67823863
 S   -0.01344009  -3.18077147   0.12908809
 S   -1.15901209  -1.35281217  -0.02114470
 H    1.85743357   0.97045653   0.00000000
 C   -0.76224670   1.31001996  -0.07114010
 C   -1.24928744   1.66224936  -1.49046619
 H   -1.62759121   1.27286734   0.61549440
 H   -0.10859648   2.12946418   0.27070369
 C   -1.79427532   3.09509655  -1.55786839
 H   -0.40412828   1.55636271  -2.19515034
 H   -2.02819700   0.95531651  -1.82155024
 H   -2.24094246   3.24910016  -2.56401432
 H   -2.61812762   3.20187523  -0.82896169
 N   -0.74818479   4.06416535  -1.19577029
 H   -0.07964470   4.14034610  -1.97039564
 H   -1.16259363   4.99614907  -1.09745033
 20
 Energy -2240.629065265  Dipole 4.289767 Gradient 0.00006235
 C    0.00000000   0.00000000   0.00000000
 C    1.34971715   0.00000000   0.00000000
 S    2.47872119  -1.38665136   0.08123065
 S    2.53399833  -2.21528440  -1.75912650
 S    0.67851680  -3.68700369  -1.62397487
 S   -0.01154820  -3.17645010   0.17242156
 S   -1.15815899  -1.35398538  -0.01980245
 H    1.85692436   0.97079519   0.00000000
 C   -0.76280990   1.30979173  -0.06941353
 C   -1.25367721   1.66520173  -1.48646705
 H   -1.62687317   1.27057641   0.61873298
 H   -0.10953129   2.12933722   0.27278608
 C   -1.80835017   3.09485645  -1.54550598
 H   -0.40895852   1.56818397  -2.19293651
 H   -2.02884286   0.95521160  -1.81996117
 H   -2.25706054   3.25147426  -2.55030912
 H   -2.63211096   3.19154739  -0.81507910
 N   -0.76876834   4.06916121  -1.17864110
 H   -0.10142831   4.15412637  -1.95339562
 H   -1.18969222   4.99765128  -1.07507830
 20
 Energy -2240.62904472  Dipole 4.313465 Gradient 0.00008262
 C    0.00000000   0.00000000   0.00000000
 C    1.34970622   0.00000000   0.00000000
 S    2.48237962  -1.38357867   0.08607164
 S    2.52220769  -2.23857091  -1.74255288
 S    0.68171269  -3.72084147  -1.56749322
 S   -0.01030215  -3.17081155   0.21718264
 S   -1.15766122  -1.35495972  -0.01800863
 H    1.85647063   0.97107923   0.00000000
 C   -0.76324859   1.30959332  -0.06755568
 C   -1.25963491   1.66691852  -1.48203931
 H   -1.62500467   1.26909710   0.62339023
 H   -0.10982460   2.12947335   0.27346640
 C   -1.82357853   3.09336374  -1.53367009
 H   -0.41604831   1.57780390  -2.19091610
 H   -2.03143325   0.95368486  -1.81660824
 H   -2.27232532   3.25271013  -2.53798291
 H   -2.64880809   3.18019896  -0.80369385
 N   -0.79138324   4.07305629  -1.16013781
 H   -0.12765260   4.17300169  -1.93614337
 H   -1.22024526   4.99638693  -1.04410919
 20
 Energy -2240.628993963  Dipole 4.326697 Gradient 0.00011320
 C    0.00000000   0.00000000   0.00000000
 C    1.34973857   0.00000000   0.00000000
 S    2.48672901  -1.37989659   0.09107362
 S    2.50984035  -2.26311142  -1.72462830
 S    0.68547055  -3.75465828  -1.50731336
 S   -0.00911645  -3.16380062   0.26412893
 S   -1.15720789  -1.35580369  -0.01611402
 H    1.85584827   0.97147285   0.00000000
 C   -0.76315923   1.30976165  -0.06596212
 C   -1.26618605   1.66852115  -1.47767040
 H   -1.62201230   1.26891614   0.62857405
 H   -0.10863423   2.12971784   0.27274389
 C   -1.83909165   3.09173896  -1.52201017
 H   -0.42465156   1.58660128  -2.18982882
 H   -2.03533266   0.95215473  -1.81186394
 H   -2.29195718   3.25246391  -2.52423888
 H   -2.66259843   3.17023041  -0.78914214
 N   -0.81211029   4.07646877  -1.14747591
 H   -0.15231580   4.18539678  -1.92560213
 H   -1.24689174   4.99610417  -1.02444040
 20
 Energy -2240.628940092  Dipole 4.335801 Gradient 0.00013670
 C    0.00000000   0.00000000   0.00000000
 C    1.34974898   0.00000000   0.00000000
 S    2.49147529  -1.37589541   0.09615295
 S    2.49654072  -2.28821822  -1.70545300
 S    0.69003013  -3.78897050  -1.44296607
 S   -0.00728357  -3.15533930   0.31357649
 S   -1.15631314  -1.35717177  -0.01428935
 H    1.85517627   0.97187331   0.00000000
 C   -0.76307342   1.30991240  -0.06397718
 C   -1.27818808   1.66721897  -1.47153183
 H   -1.61613050   1.27022204   0.63767294
 H   -0.10586748   2.13043677   0.26804268
 C   -1.85735833   3.08816871  -1.51021479
 H   -0.44218712   1.58868792  -2.19055387
 H   -2.04771325   0.94854461  -1.80004939
 H   -2.31674423   3.24861306  -2.50951816
 H   -2.67691721   3.16157935  -0.77241770
 N   -0.83288414   4.07707839  -1.13971818
 H   -0.17792386   4.19032446  -1.92131684
 H   -1.27131494   4.99449014  -1.01299592
 20
 Energy -2240.628870937  Dipole 4.339652 Gradient 0.00016537
 C    0.00000000   0.00000000   0.00000000
 C    1.34974929   0.00000000   0.00000000
 S    2.49627936  -1.37181753   0.10026461
 S    2.48124884  -2.31348584  -1.68629381
 S    0.69400621  -3.82224948  -1.37669616
 S   -0.00600145  -3.14575166   0.36386096
 S   -1.15540969  -1.35865561  -0.01199642
 H    1.85454742   0.97228011   0.00000000
 C   -0.76297732   1.30998294  -0.06220181
 C   -1.29084569   1.66561520  -1.46538020
 H   -1.60992277   1.27166018   0.64688217
 H   -0.10305352   2.13117417   0.26269475
 C   -1.87568487   3.08445540  -1.49835669
 H   -0.46059332   1.59016280  -2.19138180
 H   -2.06078427   0.94456981  -1.78783364
 H   -2.34212051   3.24453258  -2.49445203
 H   -2.69069671   3.15338492  -0.75509912
 N   -0.85291366   4.07694295  -1.13275758
 H   -0.20128740   4.19126425  -1.91701112
 H   -1.29399170   4.99309237  -1.00593834
 20
 Energy -2240.628776109  Dipole 4.348898 Gradient 0.00019078
 C    0.00000000   0.00000000   0.00000000
 C    1.34976853   0.00000000   0.00000000
 S    2.50118680  -1.36770571   0.10302014
 S    2.46511506  -2.33800059  -1.66811263
 S    0.69823901  -3.85376840  -1.31034886
 S   -0.00421422  -3.13501032   0.41350022
 S   -1.15422839  -1.36039640  -0.01009960
 H    1.85410812   0.97256313   0.00000000
 C   -0.76261106   1.31019201  -0.06010294
 C   -1.30257641   1.66460536  -1.45888655
 H   -1.60367814   1.27314252   0.65598729
 H   -0.10001409   2.13187736   0.25787012
 C   -1.89147842   3.08202883  -1.48599430
 H   -0.47822726   1.59147866  -2.19185284
 H   -2.07364542   0.94207795  -1.77551370
 H   -2.36445831   3.24250610  -2.47892907
 H   -2.70218446   3.14721671  -0.73771164
 N   -0.86950988   4.07691876  -1.12469874
 H   -0.22327497   4.19516156  -1.91282306
 H   -1.31268883   4.99136524  -0.99295256
 20
 Energy -2240.628680326  Dipole 4.354903 Gradient 0.00021260
 C    0.00000000   0.00000000   0.00000000
 C    1.34975049   0.00000000   0.00000000
 S    2.50643261  -1.36311491   0.10589895
 S    2.44771233  -2.36330988  -1.64835907
 S    0.70252907  -3.88474240  -1.24048654
 S   -0.00303623  -3.12267994   0.46485631
 S   -1.15299255  -1.36221519  -0.00794855
 H    1.85335256   0.97303301   0.00000000
 C   -0.76236640   1.31030228  -0.05897882
 C   -1.31256964   1.66292396  -1.45401410
 H   -1.59827236   1.27476550   0.66317710
 H   -0.09732248   2.13238851   0.25273001
 C   -1.90524861   3.07891454  -1.47684889
 H   -0.49310176   1.59163740  -2.19260938
 H   -2.08431737   0.93878028  -1.76545891
 H   -2.38468913   3.23881041  -2.46676854
 H   -2.71152050   3.14133007  -0.72355478
 N   -0.88382918   4.07632423  -1.12100466
 H   -0.24265663   4.19686074  -1.91289603
 H   -1.32867408   4.98943998  -0.98584603
 20
 Energy -2240.628556868  Dipole 4.358531 Gradient 0.00023537
 C    0.00000000   0.00000000   0.00000000
 C    1.34975145   0.00000000   0.00000000
 S    2.51191978  -1.35845618   0.10742382
 S    2.42733817  -2.38927397  -1.62867385
 S    0.70613424  -3.91467950  -1.16823570
 S   -0.00256745  -3.10879809   0.51736093
 S   -1.15173874  -1.36414239  -0.00571728
 H    1.85266266   0.97345338   0.00000000
 C   -0.76227616   1.31018716  -0.05811774
 C   -1.32357180   1.65972506  -1.44952436
 H   -1.59292204   1.27604780   0.67013518
 H   -0.09524302   2.13339878   0.24619541
 C   -1.91951354   3.07446587  -1.46923281
 H   -0.50960168   1.58943984  -2.19429421
 H   -2.09621297   0.93373718  -1.75460881
 H   -2.40662968   3.23266219  -2.45566580
 H   -2.72020663   3.13576471  -0.70992882
 N   -0.89758032   4.07436651  -1.12176004
 H   -0.26296773   4.19612986  -1.91874440
 H   -1.34348214   4.98650690  -0.98340883
 20
 Energy -2240.628429392  Dipole 4.360009 Gradient 0.00025941
 C    0.00000000   0.00000000   0.00000000
 C    1.34969842   0.00000000   0.00000000
 S    2.51752428  -1.35362644   0.10773227
 S    2.40434503  -2.41494481  -1.60895228
 S    0.70967787  -3.94336060  -1.09322280
 S   -0.00215407  -3.09326840   0.57131972
 S   -1.15035217  -1.36631567  -0.00295183
 H    1.85196986   0.97389320   0.00000000
 C   -0.76197482   1.31014949  -0.05775356
 C   -1.33645901   1.65481579  -1.44486578
 H   -1.58573463   1.27906224   0.67838501
 H   -0.09190940   2.13452328   0.23660419
 C   -1.93412506   3.06891039  -1.46296052
 H   -0.52946487   1.58317578  -2.19708008
 H   -2.11140967   0.92741216  -1.74082097
 H   -2.42965128   3.22437391  -2.44561624
 H   -2.72848309   3.13089931  -0.69710239
 N   -0.91063494   4.07086220  -1.12616234
 H   -0.28312908   4.19226787  -1.92878345
 H   -1.35663781   4.98254553  -0.98529155
 20
 Energy -2240.628277133  Dipole 4.359207 Gradient 0.00028038
 C    0.00000000   0.00000000   0.00000000
 C    1.34968841   0.00000000   0.00000000
 S    2.52347618  -1.34864929   0.10672847
 S    2.37937836  -2.44014074  -1.58959912
 S    0.71392075  -3.97021616  -1.01763840
 S   -0.00216703  -3.07659613   0.62462533
 S   -1.14858800  -1.36884424  -0.00049860
 H    1.85128291   0.97430092   0.00000000
 C   -0.76184493   1.30998636  -0.05765518
 C   -1.34909828   1.64933611  -1.44069734
 H   -1.57898455   1.28199364   0.68591887
 H   -0.08904663   2.13568169   0.22665977
 C   -1.94814783   3.06294442  -1.45775270
 H   -0.54903024   1.57577260  -2.20011906
 H   -2.12644925   0.92062877  -1.72729682
 H   -2.45230369   3.21527906  -2.43649990
 H   -2.73587429   3.12636260  -0.68518974
 N   -0.92264207   4.06672054  -1.13259862
 H   -0.30253992   4.18682703  -1.94115718
 H   -1.36829189   4.97829779  -0.98992438
 20
 Energy -2240.628118116  Dipole 4.354457 Gradient 0.00029818
 C    0.00000000   0.00000000   0.00000000
 C    1.34961755   0.00000000   0.00000000
 S    2.52942388  -1.34345509   0.10505584
 S    2.35215855  -2.46580958  -1.56903352
 S    0.71781516  -3.99538786  -0.93884990
 S   -0.00292340  -3.05787332   0.67959664
 S   -1.14709430  -1.37125722   0.00295952
 H    1.85057596   0.97474743   0.00000000
 C   -0.76155840   1.30982319  -0.05791740
 C   -1.36176239   1.64269487  -1.43687920
 H   -1.57188652   1.28537982   0.69317918
 H   -0.08600012   2.13681348   0.21582092
 C   -1.96160625   3.05597593  -1.45471992
 H   -0.56883088   1.56596923  -2.20344893
 H   -2.14168448   0.91260940  -1.71305683
 H   -2.47468115   3.20390932  -2.42949028
 H   -2.74230233   3.12228535  -0.67530616
 N   -0.93377505   4.06162145  -1.14310654
 H   -0.32103001   4.17871569  -1.95767546
 H   -1.37862454   4.97352670  -1.00007188
 20
 Energy -2240.627944073  Dipole 4.347493 Gradient 0.00032378
 C    0.00000000   0.00000000   0.00000000
 C    1.34956181   0.00000000   0.00000000
 S    2.53542549  -1.33822856   0.10217079
 S    2.32265431  -2.49111975  -1.54832034
 S    0.72194518  -4.01835221  -0.85956214
 S   -0.00470123  -3.03802821   0.73406477
 S   -1.14545317  -1.37374757   0.00597269
 H    1.84982016   0.97516638   0.00000000
 C   -0.76142180   1.30963063  -0.05844941
 C   -1.37380994   1.63526315  -1.43378422
 H   -1.56534533   1.28872647   0.69958015
 H   -0.08356886   2.13818692   0.20473253
 C   -1.97408595   3.04834884  -1.45359642
 H   -0.58778645   1.55461012  -2.20706043
 H   -2.15627226   0.90383667  -1.69936329
 H   -2.49581602   3.19141338  -2.42452031
 H   -2.74781484   3.11848278  -0.66761027
 N   -0.94350405   4.05554790  -1.15620862
 H   -0.33845679   4.16893456  -1.97704826
 H   -1.38713850   4.96807368  -1.01330553
 20
 Energy -2240.627756026  Dipole 4.338753 Gradient 0.00034292
 C    0.00000000   0.00000000   0.00000000
 C    1.34945852   0.00000000   0.00000000
 S    2.54140835  -1.33281525   0.09825710
 S    2.29086135  -2.51588394  -1.52716875
 S    0.72683632  -4.03926995  -0.77960130
 S   -0.00751098  -3.01694625   0.78804682
 S   -1.14364299  -1.37676866   0.00860980
 H    1.84902328   0.97567474   0.00000000
 C   -0.76157984   1.30902423  -0.06064354
 C   -1.38602598   1.62646439  -1.43238588
 H   -1.55906710   1.29221531   0.70425768
 H   -0.08171611   2.13946928   0.19133649
 C   -1.98608742   3.03962564  -1.45536726
 H   -0.60697132   1.54086164  -2.21216560
 H   -2.17128997   0.89394161  -1.68670498
 H   -2.51644178   3.17713682  -2.42238617
 H   -2.75276023   3.11455952  -0.66294559
 N   -0.95280339   4.04830221  -1.17300940
 H   -0.35467183   4.15649076  -1.99957655
 H   -1.39499376   4.96178236  -1.03181742
 20
 Energy -2240.627555357  Dipole 4.326603 Gradient 0.00036219
 C    0.00000000   0.00000000   0.00000000
 C    1.34938166   0.00000000   0.00000000
 S    2.54734462  -1.32752132   0.09297537
 S    2.25647892  -2.54027662  -1.50588908
 S    0.73199361  -4.05798508  -0.69917013
 S   -0.01122058  -2.99468000   0.84166912
 S   -1.14170158  -1.37984081   0.01181361
 H    1.84835028   0.97606613   0.00000000
 C   -0.76163051   1.30848065  -0.06268217
 C   -1.39800065   1.61681911  -1.43097665
 H   -1.55257370   1.29657849   0.70905745
 H   -0.07955650   2.14067469   0.17730533
 C   -1.99787196   3.02997694  -1.45815179
 H   -0.62593065   1.52576579  -2.21710237
 H   -2.18584924   0.88296405  -1.67355293
 H   -2.53701474   3.16128888  -2.42118844
 H   -2.75701569   3.11074857  -0.65908290
 N   -0.96122218   4.03975225  -1.19232187
 H   -0.37044057   4.14119852  -2.02503883
 H   -1.40133309   4.95470026  -1.05410697
 20
 Energy -2240.627347372  Dipole 4.312119 Gradient 0.00037662
 C    0.00000000   0.00000000   0.00000000
 C    1.34928221   0.00000000   0.00000000
 S    2.55329527  -1.32203099   0.08626014
 S    2.21894593  -2.56350329  -1.48445674
 S    0.73780674  -4.07404940  -0.61883879
 S   -0.01642859  -2.97187658   0.89480389
 S   -1.13993226  -1.38293029   0.01592039
 H    1.84761307   0.97653455   0.00000000
 C   -0.76174726   1.30793944  -0.06515605
 C   -1.41197788   1.60593107  -1.42926740
 H   -1.54511292   1.30156807   0.71438042
 H   -0.07734335   2.14201271   0.16137044
 C   -2.01022191   3.01971569  -1.46296300
 H   -0.64835252   1.50676544  -2.22262629
 H   -2.20371589   0.87152586  -1.65738454
 H   -2.55703971   3.14373382  -2.42261172
 H   -2.76282956   3.10786833  -0.65852101
 N   -0.97069839   4.03075154  -1.21377691
 H   -0.38666315   4.12536202  -2.05200625
 H   -1.40912990   4.94700123  -1.07893809
 20
 Energy -2240.627144217  Dipole 4.292583 Gradient 0.00037945
 C    0.00000000   0.00000000   0.00000000
 C    1.34914051   0.00000000   0.00000000
 S    2.55879245  -1.31685213   0.07792722
 S    2.17917511  -2.58611089  -1.46316681
 S    0.74342596  -4.08764298  -0.54051642
 S   -0.02407853  -2.94854615   0.94574522
 S   -1.13847458  -1.38575682   0.01962318
 H    1.84691581   0.97691815   0.00000000
 C   -0.76194818   1.30710870  -0.06847334
 C   -1.42173612   1.59536225  -1.43012043
 H   -1.54038876   1.30554433   0.71603200
 H   -0.07642776   2.14310010   0.14767396
 C   -2.02157019   3.00814684  -1.47066868
 H   -0.66314802   1.49131183  -2.22780738
 H   -2.21416415   0.85854824  -1.64816053
 H   -2.57577363   3.12370311  -2.42718469
 H   -2.76846846   3.10150677  -0.66143698
 N   -0.98189779   4.02242151  -1.23695818
 H   -0.40352315   4.11047212  -2.07985328
 H   -1.42073300   4.93924749  -1.10740038
 20
 Energy -2240.626904525  Dipole 4.273678 Gradient 0.00037894
 C    0.00000000   0.00000000   0.00000000
 C    1.34899163   0.00000000   0.00000000
 S    2.56409492  -1.31155824   0.07065654
 S    2.13935484  -2.60898933  -1.43875986
 S    0.75106828  -4.09946331  -0.46057761
 S   -0.03346534  -2.92456631   0.99671294
 S   -1.13664661  -1.38911258   0.02314664
 H    1.84625480   0.97735117   0.00000000
 C   -0.76305317   1.30592423  -0.07299247
 C   -1.42840889   1.58298037  -1.43424073
 H   -1.53841871   1.30836832   0.71452870
 H   -0.07749234   2.14415017   0.13403186
 C   -2.03249664   2.99366275  -1.48225071
 H   -0.67271162   1.47538945  -2.23412187
 H   -2.21983141   0.84248847  -1.64367589
 H   -2.59438025   3.10007838  -2.43528849
 H   -2.77288768   3.09257684  -0.66775951
 N   -0.99236984   4.01153667  -1.26581550
 H   -0.42063568   4.09233087  -2.11391720
 H   -1.43131001   4.92903272  -1.14141948
 20
 Energy -2240.626677808  Dipole 4.253426 Gradient 0.00037072
 C    0.00000000   0.00000000   0.00000000
 C    1.34886600   0.00000000   0.00000000
 S    2.56917469  -1.30634220   0.06238298
 S    2.09767389  -2.63012196  -1.41448636
 S    0.75969610  -4.10844015  -0.38352830
 S   -0.04519996  -2.90081100   1.04528573
 S   -1.13505580  -1.39235088   0.02655584
 H    1.84551606   0.97777000   0.00000000
 C   -0.76372459   1.30490691  -0.07679462
 C   -1.43866398   1.57058639  -1.43565320
 H   -1.53390244   1.31275822   0.71576671
 H   -0.07716807   2.14514866   0.11861428
 C   -2.04296223   2.98080600  -1.49236976
 H   -0.68884951   1.45569229  -2.24008869
 H   -2.23182112   0.82849771  -1.63302146
 H   -2.61269732   3.07806958  -2.44180067
 H   -2.77670010   3.08783095  -0.67289456
 N   -1.00077519   4.00029316  -1.29440293
 H   -0.43506585   4.07121807  -2.14747241
 H   -1.43840399   4.91941830  -1.17749181
 20
 Energy -2240.626450656  Dipole 4.238621 Gradient 0.00035288
 C    0.00000000   0.00000000   0.00000000
 C    1.34873079   0.00000000   0.00000000
 S    2.57395202  -1.30118935   0.05404352
 S    2.05505452  -2.65090275  -1.38839763
 S    0.76917936  -4.11546624  -0.30693658
 S   -0.05940835  -2.87700761   1.09315844
 S   -1.13366501  -1.39550396   0.03062654
 H    1.84486095   0.97819777   0.00000000
 C   -0.76458342   1.30373271  -0.08153660
 C   -1.44869062   1.55717607  -1.43822377
 H   -1.52979645   1.31760230   0.71579177
 H   -0.07707147   2.14592001   0.10185315
 C   -2.05313075   2.96687314  -1.50457519
 H   -0.70437325   1.43453936  -2.24660038
 H   -2.24341174   0.81350485  -1.62319887
 H   -2.63054119   3.05465283  -2.45021516
 H   -2.78003977   3.08272788  -0.68023019
 N   -1.00895699   3.98788205  -1.32582792
 H   -0.45159650   4.05135345  -2.18489664
 H   -1.44522689   4.90804490  -1.21218945
 20
 Energy -2240.62623856  Dipole 4.225148 Gradient 0.00031819
 C    0.00000000   0.00000000   0.00000000
 C    1.34857919   0.00000000   0.00000000
 S    2.57817092  -1.29632691   0.04539083
 S    2.01239037  -2.67043962  -1.36221555
 S    0.78000403  -4.12054371  -0.23401694
 S   -0.07643875  -2.85425370   1.13776916
 S   -1.13236775  -1.39871709   0.03405705
 H    1.84418454   0.97859505   0.00000000
 C   -0.76571582   1.30243830  -0.08600767
 C   -1.45759496   1.54407076  -1.44105962
 H   -1.52670846   1.32157483   0.71526816
 H   -0.07793222   2.14677381   0.08652995
 C   -2.06253414   2.95302912  -1.51743114
 H   -0.71802420   1.41390728  -2.25264711
 H   -2.25351891   0.79880643  -1.61454777
 H   -2.64663854   3.03130833  -2.45986613
 H   -2.78365297   3.07740648  -0.68929262
 N   -1.01693650   3.97548284  -1.35655379
 H   -0.46687855   4.03138739  -2.22085978
 H   -1.45206286   4.89669214  -1.24721364
 20
 Energy -2240.626036776  Dipole 4.204196 Gradient 0.00027936
 C    0.00000000   0.00000000   0.00000000
 C    1.34844239   0.00000000   0.00000000
 S    2.58206726  -1.29153558   0.03779505
 S    1.97003305  -2.68986823  -1.33339265
 S    0.79194488  -4.12377805  -0.16098505
 S   -0.09604705  -2.83175955   1.18216582
 S   -1.13096983  -1.40208606   0.03783867
 H    1.84355678   0.97900751   0.00000000
 C   -0.76701586   1.30100990  -0.09145994
 C   -1.46521103   1.53017958  -1.44558845
 H   -1.52450917   1.32563477   0.71299687
 H   -0.07919365   2.14736346   0.07084266
 C   -2.07103884   2.93795022  -1.53385686
 H   -0.72924563   1.39224652  -2.25917432
 H   -2.26173401   0.78307613  -1.60828361
 H   -2.66058201   3.00568852  -2.47371096
 H   -2.78733989   3.07133250  -0.70292748
 N   -1.02482081   3.96229576  -1.39031495
 H   -0.47745165   4.00636371  -2.25698799
 H   -1.45954413   4.88497500  -1.29219763
 20
 Energy -2240.625855239  Dipole 4.189524 Gradient 0.00021587
 C    0.00000000   0.00000000   0.00000000
 C    1.34829750   0.00000000   0.00000000
 S    2.58535132  -1.28712471   0.03015143
 S    1.92849441  -2.70754236  -1.30545846
 S    0.80481337  -4.12547764  -0.09335334
 S   -0.11873606  -2.81132535   1.22252955
 S   -1.12956246  -1.40549068   0.04033040
 H    1.84295075   0.97936910   0.00000000
 C   -0.76845955   1.29955272  -0.09621997
 C   -1.47254032   1.51765566  -1.44928564
 H   -1.52282053   1.32915980   0.71103805
 H   -0.08076863   2.14781799   0.05672131
 C   -2.07874599   2.92452758  -1.54795120
 H   -0.74014444   1.37263448  -2.26490356
 H   -2.26985482   0.76922842  -1.60226892
 H   -2.67396109   2.98279758  -2.48488755
 H   -2.79000386   3.06645056  -0.71407482
 N   -1.03131537   3.94984663  -1.42131501
 H   -0.48890171   3.98399872  -2.29158636
 H   -1.46513315   4.87377544  -1.33119212
 20
 Energy -2240.625707448  Dipole 4.177803 Gradient 0.00014985
 C    0.00000000   0.00000000   0.00000000
 C    1.34816012   0.00000000   0.00000000
 S    2.58815732  -1.28302525   0.02399044
 S    1.88882957  -2.72601908  -1.27466827
 S    0.81867973  -4.12605419  -0.02480805
 S   -0.14382366  -2.79101670   1.26278290
 S   -1.12790269  -1.40904674   0.04304429
 H    1.84246359   0.97970156   0.00000000
 C   -0.77025695   1.29785342  -0.10159019
 C   -1.47975772   1.50427050  -1.45385779
 H   -1.52177061   1.33238883   0.70815153
 H   -0.08300393   2.14813130   0.04210830
 C   -2.08615492   2.91020418  -1.56374990
 H   -0.75065627   1.35161150  -2.27103267
 H   -2.27784111   0.75462158  -1.59672853
 H   -2.68700708   2.95883959  -2.49762050
 H   -2.79223062   3.06139855  -0.72710479
 N   -1.03728161   3.93598078  -1.45447153
 H   -0.49970971   3.95997344  -2.32805986
 H   -1.46979284   4.86125239  -1.37210735
 20
 Energy -2240.625598972  Dipole 4.164265 Gradient 0.00007206
 C    0.00000000   0.00000000   0.00000000
 C    1.34804077   0.00000000   0.00000000
 S    2.59065345  -1.27900115   0.01820614
 S    1.85089445  -2.74333802  -1.24389189
 S    0.83305980  -4.12506861   0.04018306
 S   -0.17150710  -2.77240672   1.29998179
 S   -1.12625735  -1.41266673   0.04463653
 H    1.84188489   0.98007059   0.00000000
 C   -0.77170450   1.29637352  -0.10656679
 C   -1.48619321   1.49203204  -1.45800197
 H   -1.52057214   1.33590575   0.70541746
 H   -0.08469101   2.14834201   0.02832166
 C   -2.09252937   2.89710307  -1.57847652
 H   -0.76027396   1.33203906  -2.27663413
 H   -2.28522261   0.74158275  -1.59148982
 H   -2.69843488   2.93675553  -2.50953938
 H   -2.79398303   3.05710899  -0.73958060
 N   -1.04234737   3.92312193  -1.48524682
 H   -0.50893396   3.93692912  -2.36161647
 H   -1.47380760   4.84961192  -1.41133113
 20
 Energy -2240.625529913  Dipole 4.152417 Gradient 0.00005858
 C    0.00000000   0.00000000   0.00000000
 C    1.34792136   0.00000000   0.00000000
 S    2.59256233  -1.27540384   0.01322309
 S    1.81439607  -2.76070761  -1.21186184
 S    0.84758740  -4.12315538   0.10438260
 S   -0.20151138  -2.75447635   1.33611877
 S   -1.12451989  -1.41630226   0.04619879
 H    1.84141574   0.98039465   0.00000000
 C   -0.77349698   1.29463295  -0.11217935
 C   -1.48985444   1.47995181  -1.46432198
 H   -1.52157955   1.33821531   0.70033728
 H   -0.08750878   2.14847060   0.01618204
 C   -2.09757984   2.88339173  -1.59570685
 H   -0.76470093   1.31435888  -2.28255257
 H   -2.28828699   0.72766185  -1.59114040
 H   -2.70641418   2.91421717  -2.52521182
 H   -2.79663271   3.05076861  -0.75623576
 N   -1.04764302   3.91063642  -1.51509254
 H   -0.51656190   3.91630011  -2.39295833
 H   -1.47925929   4.83763249  -1.44879023
 20
 Energy -2240.625514422  Dipole 4.139302  ZPE 0.137951  G(298.15) 60.48
 C    0.00000000   0.00000000   0.00000000
 C    1.34779590   0.00000000   0.00000000
 S    2.59432697  -1.27202804   0.00893340
 S    1.78086029  -2.77849354  -1.17865188
 S    0.86220362  -4.12006308   0.16807525
 S   -0.23329782  -2.73731302   1.37047084
 S   -1.12225914  -1.42029330   0.04640319
 H    1.84099642   0.98069077   0.00000000
 C   -0.77561266   1.29269625  -0.11779538
 C   -1.49254643   1.46779981  -1.47123251
 H   -1.52380904   1.33895284   0.69449870
 H   -0.09130525   2.14865494   0.00536642
 C   -2.10195518   2.86932023  -1.61405258
 H   -0.76737290   1.29667050  -2.28833891
 H   -2.29023871   0.71370359  -1.59214160
 H   -2.71247846   2.89111589  -2.54272296
 H   -2.79970312   3.04364075  -0.77491088
 N   -1.05282251   3.89823086  -1.54468443
 H   -0.52288853   3.89574797  -2.42326591
 H   -1.48523749   4.82543953  -1.48701952
 20
 Energy -2240.625532625  Dipole 4.126272 Gradient 0.00005858
 C    0.00000000   0.00000000   0.00000000
 C    1.34770477   0.00000000   0.00000000
 S    2.59565940  -1.26881152   0.00563489
 S    1.74996513  -2.79602922  -1.14487414
 S    0.87725537  -4.11590827   0.23032548
 S   -0.26717530  -2.72123293   1.40256735
 S   -1.11962812  -1.42447018   0.04519111
 H    1.84063906   0.98096573   0.00000000
 C   -0.77698677   1.29117633  -0.12319592
 C   -1.49549612   1.45631577  -1.47727229
 H   -1.52436819   1.34230217   0.68954646
 H   -0.09326150   2.14858467  -0.00660044
 C   -2.10545721   2.85633716  -1.63138217
 H   -0.77102072   1.27900500  -2.29369023
 H   -2.29312421   0.70106576  -1.59148080
 H   -2.71827780   2.86936116  -2.55873276
 H   -2.80116023   3.03845012  -0.79219285
 N   -1.05608910   3.88574121  -1.57440406
 H   -0.52800855   3.87424838  -2.45405165
 H   -1.48831812   4.81353796  -1.52537283
 20
 Energy -2240.625597452  Dipole 4.114015 Gradient 0.00006861
 C    0.00000000   0.00000000   0.00000000
 C    1.34761712   0.00000000   0.00000000
 S    2.59661856  -1.26611195   0.00267594
 S    1.72105498  -2.81467076  -1.10894054
 S    0.89131511  -4.11070017   0.29494169
 S   -0.30160974  -2.70442636   1.43500190
 S   -1.11660233  -1.42893504   0.04408099
 H    1.84068572   0.98110903   0.00000000
 C   -0.77888054   1.28931835  -0.12867047
 C   -1.49725880   1.44482287  -1.48416528
 H   -1.52655905   1.34368925   0.68360046
 H   -0.09649924   2.14849223  -0.01698749
 C   -2.10746503   2.84335961  -1.64983723
 H   -0.77251910   1.26155269  -2.29906490
 H   -2.29466501   0.68848424  -1.59279821
 H   -2.72183622   2.84807092  -2.57628646
 H   -2.80171279   3.03319990  -0.81119523
 N   -1.05776500   3.87295720  -1.60409209
 H   -0.53090294   3.85289254  -2.48431355
 H   -1.48965769   4.80131527  -1.56333207
 20
 Energy -2240.625682868  Dipole 4.103019 Gradient 0.00012231
 C    0.00000000   0.00000000   0.00000000
 C    1.34749382   0.00000000   0.00000000
 S    2.59766522  -1.26305145   0.00083631
 S    1.69668625  -2.83250594  -1.07300900
 S    0.90427741  -4.10443503   0.35666242
 S   -0.33799356  -2.68935220   1.46360986
 S   -1.11328350  -1.43328119   0.04081565
 H    1.84020308   0.98135241   0.00000000
 C   -0.78045276   1.28778411  -0.13279587
 C   -1.49776133   1.43619813  -1.48982086
 H   -1.52893754   1.34422606   0.67855806
 H   -0.09938244   2.14844599  -0.02427022
 C   -2.10715457   2.83385401  -1.66510368
 H   -0.77243206   1.24779883  -2.30304442
 H   -2.29536796   0.67951781  -1.59461759
 H   -2.72203678   2.83225886  -2.59124607
 H   -2.80080192   3.03034096  -0.82750844
 N   -1.05653904   3.86284945  -1.62753795
 H   -0.52967998   3.83497301  -2.50756514
 H   -1.48768951   4.79187811  -1.59472599
 20
 Energy -2240.625802045  Dipole 4.093190 Gradient 0.00017378
 C    0.00000000   0.00000000   0.00000000
 C    1.34740887   0.00000000   0.00000000
 S    2.59880693  -1.26011680   0.00091896
 S    1.67590150  -2.85088291  -1.03455773
 S    0.91616597  -4.09687200   0.42016751
 S   -0.37535240  -2.67388076   1.49124181
 S   -1.10990784  -1.43769063   0.03689493
 H    1.83990005   0.98166804   0.00000000
 C   -0.78149049   1.28656041  -0.13722799
 C   -1.49717589   1.42831592  -1.49597400
 H   -1.53109223   1.34542131   0.67296125
 H   -0.10130604   2.14831262  -0.03135516
 C   -2.10529300   2.82524820  -1.68070069
 H   -0.77094151   1.23484117  -2.30724063
 H   -2.29513541   0.67150452  -1.59729299
 H   -2.72056792   2.81784373  -2.60655497
 H   -2.79837654   3.02836896  -0.84419604
 N   -1.05347010   3.85323957  -1.65081982
 H   -0.52663797   3.81821231  -2.53060020
 H   -1.48345254   4.78302801  -1.62476796
 20
 Energy -2240.625928027  Dipole 4.084645 Gradient 0.00020711
 C    0.00000000   0.00000000   0.00000000
 C    1.34735399   0.00000000   0.00000000
 S    2.59985686  -1.25727272  -0.00014384
 S    1.65799889  -2.86945783  -0.99610436
 S    0.92749786  -4.08814746   0.48373472
 S   -0.41134086  -2.65796824   1.51733690
 S   -1.10575701  -1.44243455   0.03233345
 H    1.83967309   0.98185211   0.00000000
 C   -0.78312269   1.28501034  -0.14081098
 C   -1.49645489   1.42101756  -1.50150169
 H   -1.53426210   1.34482148   0.66780011
 H   -0.10468636   2.14833495  -0.03648725
 C   -2.10342448   2.81718137  -1.69499115
 H   -0.76886427   1.22317515  -2.31049563
 H   -2.29451495   0.66400479  -1.60043341
 H   -2.71894541   2.80431765  -2.62061645
 H   -2.79614929   3.02650009  -0.85969791
 N   -1.05044613   3.84419521  -1.67216738
 H   -0.52355464   3.80197776  -2.55161968
 H   -1.47951660   4.77458822  -1.65344247
 20
 Energy -2240.626067827  Dipole 4.076335 Gradient 0.00023416
 C    0.00000000   0.00000000   0.00000000
 C    1.34726200   0.00000000   0.00000000
 S    2.60109949  -1.25434989  -0.00041653
 S    1.64330580  -2.88813991  -0.95601347
 S    0.93788751  -4.07796111   0.54837940
 S   -0.44682660  -2.64156430   1.54262162
 S   -1.10141944  -1.44716561   0.02796172
 H    1.83954609   0.98210481   0.00000000
 C   -0.78413684   1.28388741  -0.14392045
 C   -1.49574638   1.41469272  -1.50614984
 H   -1.53629235   1.34520540   0.66368039
 H   -0.10648891   2.14811281  -0.04127900
 C   -2.10141573   2.81026432  -1.70748342
 H   -0.76721349   1.21281448  -2.31336449
 H   -2.29410048   0.65763587  -1.60250269
 H   -2.71720503   2.79269896  -2.63287547
 H   -2.79369980   3.02518369  -0.87322844
 N   -1.04720066   3.83611428  -1.69101195
 H   -0.51980657   3.78721457  -2.56981322
 H   -1.47509905   4.76717031  -1.67884189
 20
 Energy -2240.626217032  Dipole 4.069863 Gradient 0.00024558
 C    0.00000000   0.00000000   0.00000000
 C    1.34720805   0.00000000   0.00000000
 S    2.60254751  -1.25132503   0.00000698
 S    1.63182326  -2.90589949  -0.91608995
 S    0.94722465  -4.06640408   0.61151856
 S   -0.48132507  -2.62537988   1.56529253
 S   -1.09714858  -1.45165853   0.02285535
 H    1.83936022   0.98225359   0.00000000
 C   -0.78491236   1.28312030  -0.14543198
 C   -1.49560593   1.41076994  -1.50846320
 H   -1.53748752   1.34530920   0.66165407
 H   -0.10784932   2.14793672  -0.04405885
 C   -2.09968056   2.80617893  -1.71524086
 H   -0.76681476   1.20564178  -2.31461876
 H   -2.29455589   0.65411464  -1.60283316
 H   -2.71599295   2.78545438  -2.64024607
 H   -2.79125317   3.02559013  -0.88159497
 N   -1.04401890   3.83065031  -1.70380254
 H   -0.51688608   3.77648573  -2.58247934
 H   -1.47074399   4.76230007  -1.69664575
 20
 Energy -2240.62637035  Dipole 4.065977 Gradient 0.00025364
 C    0.00000000   0.00000000   0.00000000
 C    1.34714061   0.00000000   0.00000000
 S    2.60396129  -1.24843570   0.00143600
 S    1.62334592  -2.92385539  -0.87474130
 S    0.95560368  -4.05361498   0.67560313
 S   -0.51455560  -2.60854241   1.58713346
 S   -1.09244228  -1.45623453   0.01786616
 H    1.83922936   0.98251986   0.00000000
 C   -0.78577749   1.28232268  -0.14649897
 C   -1.49557810   1.40754068  -1.51024617
 H   -1.53891900   1.34461768   0.66011940
 H   -0.10956796   2.14794188  -0.04549088
 C   -2.09810104   2.80294115  -1.72129218
 H   -0.76643368   1.19986977  -2.31547975
 H   -2.29506184   0.65123692  -1.60297792
 H   -2.71548253   2.77984669  -2.64552594
 H   -2.78840436   3.02616885  -0.88757116
 N   -1.04096043   3.82592952  -1.71454171
 H   -0.51456738   3.76781175  -2.59339287
 H   -1.46630405   4.75823953  -1.71030633
 20
 Energy -2240.626521626  Dipole 4.062721 Gradient 0.00025991
 C    0.00000000   0.00000000   0.00000000
 C    1.34708806   0.00000000   0.00000000
 S    2.60541939  -1.24558011   0.00317672
 S    1.61699885  -2.94100169  -0.83363330
 S    0.96269667  -4.03993562   0.73801891
 S   -0.54681246  -2.59201072   1.60694448
 S   -1.08759752  -1.46066644   0.01258598
 H    1.83917077   0.98260959   0.00000000
 C   -0.78669680   1.28167751  -0.14622942
 C   -1.49619685   1.40597810  -1.51019137
 H   -1.53997301   1.34349631   0.66022328
 H   -0.11126424   2.14787215  -0.04525253
 C   -2.09713515   2.80161657  -1.72383935
 H   -0.76728441   1.19640418  -2.31515020
 H   -2.29635033   0.65028369  -1.60188271
 H   -2.71523798   2.77720638  -2.64757083
 H   -2.78654588   3.02782499  -0.89021292
 N   -1.03853271   3.82316963  -1.72046741
 H   -0.51281433   3.76159234  -2.59951627
 H   -1.46268625   4.75603507  -1.71915034
 20
 Energy -2240.626674023  Dipole 4.059784 Gradient 0.00026287
 C    0.00000000   0.00000000   0.00000000
 C    1.34703938   0.00000000   0.00000000
 S    2.60695002  -1.24277533   0.00564588
 S    1.61241564  -2.95747408  -0.79191724
 S    0.96865947  -4.02480530   0.80029848
 S   -0.57777730  -2.57496099   1.62585686
 S   -1.08301499  -1.46484482   0.00772115
 H    1.83907154   0.98286164   0.00000000
 C   -0.78736263   1.28129591  -0.14530788
 C   -1.49726151   1.40548775  -1.50903758
 H   -1.54029782   1.34248950   0.66157718
 H   -0.11233214   2.14785538  -0.04413198
 C   -2.09664432   2.80157389  -1.72398263
 H   -0.76876874   1.19463227  -2.31410445
 H   -2.29813441   0.65042565  -1.59971257
 H   -2.71561697   2.77677800  -2.64711274
 H   -2.78497274   3.02985055  -0.88998150
 N   -1.03665688   3.82172368  -1.72298114
 H   -0.51123942   3.75770157  -2.60202523
 H   -1.45955055   4.75517583  -1.72333912
 20
 Energy -2240.626827595  Dipole 4.056071 Gradient 0.00025815
 C    0.00000000   0.00000000   0.00000000
 C    1.34700823   0.00000000   0.00000000
 S    2.60864093  -1.23986835   0.00830987
 S    1.60984146  -2.97317428  -0.75023389
 S    0.97406165  -4.00871162   0.86138089
 S   -0.60679937  -2.55779528   1.64342623
 S   -1.07807406  -1.46902767   0.00291593
 H    1.83899034   0.98297087   0.00000000
 C   -0.78789713   1.28104177  -0.14339186
 C   -1.49850728   1.40635796  -1.50657547
 H   -1.54038776   1.34108831   0.66394978
 H   -0.11328310   2.14781358  -0.04157861
 C   -2.09669119   2.80299040  -1.72108921
 H   -0.77078662   1.19514447  -2.31224385
 H   -2.29997218   0.65192203  -1.59684452
 H   -2.71681968   2.77859047  -2.64347440
 H   -2.78373808   3.03234157  -0.88635644
 N   -1.03544538   3.82188812  -1.72176430
 H   -0.51019402   3.75540517  -2.60077635
 H   -1.45733150   4.75578917  -1.72440191
 20
 Energy -2240.626976241  Dipole 4.052577 Gradient 0.00025389
 C    0.00000000   0.00000000   0.00000000
 C    1.34697276   0.00000000   0.00000000
 S    2.61026860  -1.23715299   0.01124546
 S    1.60835115  -2.98836595  -0.70854431
 S    0.97855042  -3.99143215   0.92186997
 S   -0.63442508  -2.54028123   1.66022463
 S   -1.07299873  -1.47315324  -0.00151862
 H    1.83892224   0.98320366   0.00000000
 C   -0.78858650   1.28082906  -0.14080194
 C   -1.50016948   1.40805973  -1.50322359
 H   -1.54044668   1.33909748   0.66733035
 H   -0.11434110   2.14780398  -0.03773524
 C   -2.09747967   2.80527592  -1.71624996
 H   -0.77310156   1.19742538  -2.30970154
 H   -2.30200493   0.65402652  -1.59351239
 H   -2.71900312   2.78187772  -2.63772149
 H   -2.78302219   3.03502621  -0.88034447
 N   -1.03515212   3.82308645  -1.71815934
 H   -0.51021342   3.75515704  -2.59725778
 H   -1.45607460   4.75744979  -1.72160978
 20
 Energy -2240.627127374  Dipole 4.051372 Gradient 0.00025279
 C    0.00000000   0.00000000   0.00000000
 C    1.34694861   0.00000000   0.00000000
 S    2.61181946  -1.23453942   0.01456127
 S    1.60757965  -3.00247737  -0.66742519
 S    0.98220780  -3.97332536   0.98060282
 S   -0.66123762  -2.52317814   1.67557843
 S   -1.06814476  -1.47700174  -0.00583531
 H    1.83888323   0.98329102   0.00000000
 C   -0.78920210   1.28070763  -0.13739290
 C   -1.50256811   1.41068593  -1.49849676
 H   -1.53997799   1.33701410   0.67186242
 H   -0.11532254   2.14780753  -0.03322548
 C   -2.09923780   2.80864395  -1.70839476
 H   -0.77687132   1.20100334  -2.30643413
 H   -2.30489882   0.65722174  -1.58880014
 H   -2.72244540   2.78708152  -2.62877934
 H   -2.78311514   3.03768526  -0.87096604
 N   -1.03613941   3.82571622  -1.71074848
 H   -0.51309705   3.75871637  -2.59105788
 H   -1.45646448   4.76034054  -1.71215102
 20
 Energy -2240.627266466  Dipole 4.049917 Gradient 0.00024580
 C    0.00000000   0.00000000   0.00000000
 C    1.34691029   0.00000000   0.00000000
 S    2.61326517  -1.23210768   0.01778910
 S    1.60763686  -3.01589296  -0.62642866
 S    0.98532882  -3.95446366   1.03832594
 S   -0.68694783  -2.50625468   1.69001946
 S   -1.06326475  -1.48081145  -0.00983832
 H    1.83899576   0.98346646   0.00000000
 C   -0.78963553   1.28070939  -0.13364360
 C   -1.50630411   1.41342033  -1.49265159
 H   -1.53848553   1.33538090   0.67759748
 H   -0.11562370   2.14767996  -0.02894481
 C   -2.10285199   2.81204318  -1.69844595
 H   -0.78297191   1.20495458  -2.30306389
 H   -2.30898316   0.66017909  -1.58158357
 H   -2.72828047   2.79267195  -2.61736210
 H   -2.78455436   3.03980473  -0.85886094
 N   -1.03923871   3.82865250  -1.70133480
 H   -0.51800971   3.76286456  -2.58281170
 H   -1.45916726   4.76347874  -1.70033220
 20
 Energy -2240.62740844  Dipole 4.048299 Gradient 0.00023903
 C    0.00000000   0.00000000   0.00000000
 C    1.34691144   0.00000000   0.00000000
 S    2.61464595  -1.22981958   0.02086489
 S    1.60816223  -3.02852496  -0.58597420
 S    0.98769899  -3.93462786   1.09466294
 S   -0.71192023  -2.48939788   1.70317436
 S   -1.05833055  -1.48446935  -0.01397984
 H    1.83889911   0.98352163   0.00000000
 C   -0.79042686   1.28058655  -0.12921402
 C   -1.50987359   1.41675866  -1.48626987
 H   -1.53756623   1.33277196   0.68376146
 H   -0.11688551   2.14777517  -0.02341964
 C   -2.10704550   2.81583329  -1.68710093
 H   -0.78796536   1.21083391  -2.29858697
 H   -2.31264461   0.66373951  -1.57606879
 H   -2.73482964   2.79870326  -2.60446366
 H   -2.78664462   3.04143953  -0.84525720
 N   -1.04354049   3.83258825  -1.69017020
 H   -0.52462486   3.76890263  -2.57317684
 H   -1.46362618   4.76732749  -1.68610279
 20
 Energy -2240.62754149  Dipole 4.046414 Gradient 0.00023196
 C    0.00000000   0.00000000   0.00000000
 C    1.34690973   0.00000000   0.00000000
 S    2.61581568  -1.22781170   0.02403325
 S    1.60830148  -3.04030695  -0.54589773
 S    0.98904947  -3.91416032   1.14964349
 S   -0.73660961  -2.47258755   1.71548595
 S   -1.05347280  -1.48800293  -0.01808408
 H    1.83894567   0.98369553   0.00000000
 C   -0.79113853   1.28050106  -0.12455241
 C   -1.51261282   1.42104831  -1.47996148
 H   -1.53708543   1.32951450   0.68981080
 H   -0.11800698   2.14775472  -0.01636876
 C   -2.11094088   2.82047974  -1.67478611
 H   -0.79170642   1.21873135  -2.29413195
 H   -2.31483019   0.66762977  -1.57119005
 H   -2.74023987   2.80661779  -2.59116668
 H   -2.78926864   3.04266416  -0.83098759
 N   -1.04798643   3.83789940  -1.67610591
 H   -0.53056212   3.77759868  -2.56021936
 H   -1.46864597   4.77237690  -1.66805846
 20
 Energy -2240.627669827  Dipole 4.045145 Gradient 0.00022353
 C    0.00000000   0.00000000   0.00000000
 C    1.34689722   0.00000000   0.00000000
 S    2.61692479  -1.22582173   0.02726492
 S    1.60934995  -3.05136089  -0.50588147
 S    0.98963803  -3.89316506   1.20348507
 S   -0.76035768  -2.45591522   1.72706625
 S   -1.04861863  -1.49145673  -0.02177926
 H    1.83901306   0.98370770   0.00000000
 C   -0.79166081   1.28051664  -0.11956075
 C   -1.51635836   1.42554677  -1.47261235
 H   -1.53578321   1.32675753   0.69664753
 H   -0.11879826   2.14774612  -0.00971596
 C   -2.11616321   2.82528233  -1.66040107
 H   -0.79748984   1.22691074  -2.28944416
 H   -2.31813633   0.67173408  -1.56447230
 H   -2.74762133   2.81447923  -2.57532103
 H   -2.79260935   3.04357830  -0.81409315
 N   -1.05389321   3.84349017  -1.65994094
 H   -0.53840377   3.78699685  -2.54545491
 H   -1.47528802   4.77757767  -1.64754999
 20
 Energy -2240.627794917  Dipole 4.042648 Gradient 0.00021161
 C    0.00000000   0.00000000   0.00000000
 C    1.34690016   0.00000000   0.00000000
 S    2.61803145  -1.22399022   0.03091405
 S    1.61078385  -3.06181275  -0.46659260
 S    0.98933600  -3.87152678   1.25570195
 S   -0.78341523  -2.43970086   1.73743597
 S   -1.04387069  -1.49472039  -0.02555825
 H    1.83907478   0.98385616   0.00000000
 C   -0.79247667   1.28039113  -0.11384143
 C   -1.52092983   1.43040957  -1.46418728
 H   -1.53436049   1.32326496   0.70467541
 H   -0.11992448   2.14764249  -0.00207353
 C   -2.12251597   2.83045239  -1.64398422
 H   -0.80397008   1.23624894  -2.28382863
 H   -2.32215721   0.67620268  -1.55722589
 H   -2.75628881   2.82371761  -2.55736375
 H   -2.79703588   3.04410926  -0.79493807
 N   -1.06122286   3.84975298  -1.64156264
 H   -0.54799022   3.79783046  -2.52866039
 H   -1.48356211   4.78335682  -1.62384901
 20
 Energy -2240.627912682  Dipole 4.042143 Gradient 0.00020449
 C    0.00000000   0.00000000   0.00000000
 C    1.34689642   0.00000000   0.00000000
 S    2.61889000  -1.22240868   0.03424481
 S    1.61156035  -3.07122181  -0.42737790
 S    0.98887156  -3.84899295   1.30732494
 S   -0.80602987  -2.42333351   1.74747847
 S   -1.03931127  -1.49783678  -0.02893758
 H    1.83916402   0.98386087   0.00000000
 C   -0.79313855   1.28035443  -0.10809860
 C   -1.52538944   1.43530410  -1.45566577
 H   -1.53284145   1.31999721   0.71260237
 H   -0.12087489   2.14758504   0.00539533
 C   -2.12963799   2.83527067  -1.62703345
 H   -0.81050069   1.24612773  -2.27825994
 H   -2.32563774   0.68021617  -1.54981354
 H   -2.76566154   2.83211828  -2.53883426
 H   -2.80240901   3.04350037  -0.77529065
 N   -1.07003210   3.85636777  -1.62197283
 H   -0.55994168   3.81098751  -2.51121869
 H   -1.49389421   4.78908310  -1.59677413
 20
 Energy -2240.628024078  Dipole 4.038953 Gradient 0.00019404
 C    0.00000000   0.00000000   0.00000000
 C    1.34689063   0.00000000   0.00000000
 S    2.61957538  -1.22100514   0.03761846
 S    1.61232506  -3.07995989  -0.38820590
 S    0.98732425  -3.82573897   1.35806985
 S   -0.82879148  -2.40699081   1.75669381
 S   -1.03480678  -1.50082340  -0.03239864
 H    1.83924882   0.98395222   0.00000000
 C   -0.79376712   1.28032238  -0.10215397
 C   -1.52999281   1.44010922  -1.44678763
 H   -1.53119410   1.31651191   0.72084518
 H   -0.12168764   2.14744097   0.01319905
 C   -2.13788008   2.83959391  -1.60957003
 H   -0.81702948   1.25654315  -2.27235400
 H   -2.32881151   0.68368945  -1.54225200
 H   -2.77675878   2.83930327  -2.51939663
 H   -2.80844524   3.04207760  -0.75465621
 N   -1.08079619   3.86330668  -1.60267608
 H   -0.57374801   3.82420549  -2.49395529
 H   -1.50692307   4.79481380  -1.57072165
 20
 Energy -2240.628128083  Dipole 4.031422 Gradient 0.00018072
 C    0.00000000   0.00000000   0.00000000
 C    1.34689338   0.00000000   0.00000000
 S    2.62032806  -1.21965517   0.04120031
 S    1.61374898  -3.08826568  -0.34898367
 S    0.98477760  -3.80213898   1.40770199
 S   -0.85089311  -2.39097420   1.76520234
 S   -1.03033799  -1.50373181  -0.03569023
 H    1.83939150   0.98393837   0.00000000
 C   -0.79461512   1.28018426  -0.09578915
 C   -1.53547730   1.44488025  -1.43708299
 H   -1.52928817   1.31264154   0.72988555
 H   -0.12299221   2.14741913   0.02135209
 C   -2.14784525   2.84338531  -1.59079409
 H   -0.82483199   1.26744038  -2.26597315
 H   -2.33246378   0.68668541  -1.53366374
 H   -2.78966231   2.84574538  -2.49853610
 H   -2.81624118   3.03954766  -0.73273572
 N   -1.09376146   3.87021371  -1.58201949
 H   -0.58823032   3.83563060  -2.47438097
 H   -1.52271659   4.80026952  -1.54646762
 20
 Energy -2240.628232806  Dipole 4.026478 Gradient 0.00016549
 C    0.00000000   0.00000000   0.00000000
 C    1.34687774   0.00000000   0.00000000
 S    2.62085369  -1.21856288   0.04468266
 S    1.61534513  -3.09623033  -0.31035157
 S    0.98320162  -3.77768058   1.45667932
 S   -0.87195604  -2.37546588   1.77302321
 S   -1.02542852  -1.50692302  -0.03889764
 H    1.84023744   0.98357087   0.00000000
 C   -0.79559155   1.27984058  -0.08966085
 C   -1.54195373   1.44856010  -1.42722035
 H   -1.52705329   1.30902645   0.73907733
 H   -0.12432635   2.14721614   0.02838544
 C   -2.15905768   2.84601078  -1.57172598
 H   -0.83400303   1.27723755  -2.25974194
 H   -2.33701978   0.68843466  -1.52419565
 H   -2.80376553   2.85117792  -2.47741054
 H   -2.82529578   3.03568003  -0.71047874
 N   -1.10816514   3.87614687  -1.56096923
 H   -0.60501293   3.84732981  -2.45489032
 H   -1.54003902   4.80466268  -1.52001428
 20
 Energy -2240.628335152  Dipole 4.022363 Gradient 0.00015866
 C    0.00000000   0.00000000   0.00000000
 C    1.34688795   0.00000000   0.00000000
 S    2.62105241  -1.21789864   0.04600882
 S    1.61520430  -3.10340866  -0.27301858
 S    0.98134018  -3.75212442   1.50434424
 S   -0.89185478  -2.35893652   1.78161228
 S   -1.02102326  -1.50959087  -0.04085255
 H    1.83995050   0.98381458   0.00000000
 C   -0.79628647   1.27979456  -0.08248071
 C   -1.54943817   1.45314064  -1.41543002
 H   -1.52369509   1.30582043   0.75000808
 H   -0.12502239   2.14712063   0.03583055
 C   -2.17096010   2.84968991  -1.54950380
 H   -0.84528476   1.28795030  -2.25238459
 H   -2.34295243   0.69138122  -1.51218404
 H   -2.82011512   2.85796447  -2.45196100
 H   -2.83350903   3.03278800  -0.68403081
 N   -1.12295927   3.88280933  -1.53818005
 H   -0.62524268   3.86161354  -2.43532758
 H   -1.55725584   4.80973613  -1.48815267
 20
 Energy -2240.628418428  Dipole 4.016713 Gradient 0.00014742
 C    0.00000000   0.00000000   0.00000000
 C    1.34692318   0.00000000   0.00000000
 S    2.62158691  -1.21675235   0.05100220
 S    1.61629024  -3.10913612  -0.23386965
 S    0.97688745  -3.72620796   1.55175654
 S   -0.91263796  -2.34153832   1.78915128
 S   -1.01722046  -1.51194025  -0.04348057
 H    1.83987281   0.98398796   0.00000000
 C   -0.79680883   1.27981202  -0.07576480
 C   -1.55433214   1.45919204  -1.40528183
 H   -1.52169533   1.30183221   0.75908057
 H   -0.12572083   2.14692040   0.04506875
 C   -2.18020348   2.85477289  -1.52827172
 H   -0.85225342   1.30130554  -2.24540669
 H   -2.34589022   0.69571643  -1.50428483
 H   -2.83138925   2.86787638  -2.42923091
 H   -2.84137541   3.02982994  -0.66007165
 N   -1.13516232   3.89092797  -1.51205385
 H   -0.63881679   3.87663311  -2.41013197
 H   -1.57225912   4.81621255  -1.45603270
 20
 Energy -2240.62847902  Dipole 4.011414 Gradient 0.00012899
 C    0.00000000   0.00000000   0.00000000
 C    1.34691626   0.00000000   0.00000000
 S    2.62185682  -1.21589357   0.05511475
 S    1.61760264  -3.11472023  -0.19670453
 S    0.97245882  -3.70071093   1.59626891
 S   -0.93331623  -2.32746139   1.79426272
 S   -1.01306400  -1.51448731  -0.04683760
 H    1.84008168   0.98391821   0.00000000
 C   -0.79788635   1.27927329  -0.06868149
 C   -1.55998031   1.46451124  -1.39452209
 H   -1.52011717   1.29639588   0.76868076
 H   -0.12766233   2.14662118   0.05493456
 C   -2.19173524   2.85847216  -1.50587126
 H   -0.86001844   1.31500958  -2.23794766
 H   -2.34889374   0.69865547  -1.49613285
 H   -2.84511208   2.87525985  -2.40516538
 H   -2.85153215   3.02431699  -0.63481995
 N   -1.15110561   3.89896448  -1.48420841
 H   -0.65719372   3.89410206  -2.38370819
 H   -1.59199985   4.82187044  -1.41943066
 20
 Energy -2240.628546211  Dipole 4.004973 Gradient 0.00012064
 C    0.00000000   0.00000000   0.00000000
 C    1.34693932   0.00000000   0.00000000
 S    2.62185521  -1.21556495   0.05779277
 S    1.61805346  -3.12021116  -0.15912928
 S    0.96795451  -3.67394017   1.64127709
 S   -0.95378791  -2.31257396   1.79956540
 S   -1.00838154  -1.51717239  -0.04998774
 H    1.84028982   0.98388661   0.00000000
 C   -0.79886623   1.27881710  -0.06231066
 C   -1.56700508   1.46796328  -1.38394100
 H   -1.51752822   1.29250284   0.77832092
 H   -0.12908615   2.14637719   0.06200301
 C   -2.20557268   2.85964796  -1.48454307
 H   -0.86991809   1.32625873  -2.23109835
 H   -2.35289041   0.69913043  -1.48640869
 H   -2.86241859   2.87917284  -2.38126767
 H   -2.86295464   3.01690644  -0.61008207
 N   -1.16993341   3.90510320  -1.46033994
 H   -0.68028686   3.90912530  -2.36216549
 H   -1.61515587   4.82528907  -1.38697382
 20
 Energy -2240.628623986  Dipole 3.996160 Gradient 0.00010922
 C    0.00000000   0.00000000   0.00000000
 C    1.34693162   0.00000000   0.00000000
 S    2.62211864  -1.21497259   0.06134408
 S    1.61897755  -3.12478987  -0.12076343
 S    0.96327987  -3.64586819   1.68644404
 S   -0.97317226  -2.29637536   1.80544776
 S   -1.00407521  -1.51973874  -0.05242609
 H    1.84052518   0.98382836   0.00000000
 C   -0.79972193   1.27840698  -0.05551379
 C   -1.57445334   1.47154831  -1.37247549
 H   -1.51437264   1.28882086   0.78868865
 H   -0.13018852   2.14605252   0.06932642
 C   -2.21976147   2.86084381  -1.46225987
 H   -0.88073309   1.33756618  -2.22364324
 H   -2.35737376   0.69978732  -1.47547857
 H   -2.88027049   2.88236146  -2.35625617
 H   -2.87434932   3.00971145  -0.58423160
 N   -1.18904978   3.91111928  -1.43563137
 H   -0.70238757   3.92238067  -2.33902919
 H   -1.63852975   4.82872417  -1.35600176
 20
 Energy -2240.628661291  Dipole 3.986833 Gradient 0.00009441
 C    0.00000000   0.00000000   0.00000000
 C    1.34697513   0.00000000   0.00000000
 S    2.62175555  -1.21486105   0.06448720
 S    1.61913876  -3.12879207  -0.08392027
 S    0.95769912  -3.61815297   1.72929005
 S   -0.99255938  -2.28128356   1.81038014
 S   -1.00017513  -1.52187636  -0.05475963
 H    1.84075971   0.98376945   0.00000000
 C   -0.80055907   1.27799832  -0.04810066
 C   -1.58317777   1.47543091  -1.35954583
 H   -1.51046575   1.28494734   0.80025372
 H   -0.13116397   2.14570766   0.07685794
 C   -2.23519165   2.86234224  -1.43715499
 H   -0.89374141   1.34950621  -2.21543949
 H   -2.36328038   0.70083640  -1.46254632
 H   -2.90060646   2.88659307  -2.32741879
 H   -2.88575112   3.00252472  -0.55470963
 N   -1.20931206   3.91734541  -1.40923325
 H   -0.72777947   3.93699310  -2.31522839
 H   -1.66275190   4.83221513  -1.32102445
 20
 Energy -2240.628705093  Dipole 3.977445 Gradient 0.00008239
 C    0.00000000   0.00000000   0.00000000
 C    1.34701133   0.00000000   0.00000000
 S    2.62169116  -1.21453262   0.06787491
 S    1.61980421  -3.13197972  -0.04798286
 S    0.95262044  -3.59071850   1.77041275
 S   -1.01064340  -2.26656803   1.81482675
 S   -0.99613085  -1.52418700  -0.05695729
 H    1.84097290   0.98370375   0.00000000
 C   -0.80107709   1.27777075  -0.04056050
 C   -1.59467277   1.47801251  -1.34472619
 H   -1.50410194   1.28269901   0.81366160
 H   -0.13111395   2.14545175   0.08141978
 C   -2.25377235   2.86220527  -1.40987602
 H   -0.91157141   1.35947390  -2.20669620
 H   -2.37213658   0.70046645  -1.44527020
 H   -2.92489187   2.88853548  -2.29581063
 H   -2.89946731   2.99363904  -0.52252074
 N   -1.23313843   3.92231465  -1.38173018
 H   -0.75721614   3.94983036  -2.29048832
 H   -1.69086761   4.83424536  -1.28553696
 20
 Energy -2240.628744408  Dipole 3.965625 Gradient 0.00006911
 C    0.00000000   0.00000000   0.00000000
 C    1.34701921   0.00000000   0.00000000
 S    2.62116460  -1.21486894   0.07116648
 S    1.61928077  -3.13502322  -0.01070946
 S    0.94579290  -3.56166909   1.81263560
 S   -1.02885086  -2.25011333   1.82039861
 S   -0.99249945  -1.52621464  -0.05824881
 H    1.84128666   0.98359383   0.00000000
 C   -0.80274044   1.27674420  -0.03275679
 C   -1.60283784   1.48141401  -1.33207300
 H   -1.50205839   1.27631207   0.82463802
 H   -0.13407574   2.14507101   0.09143959
 C   -2.26987887   2.86228881  -1.38493102
 H   -0.92304532   1.37221888  -2.19792818
 H   -2.37638022   0.70018633  -1.43416564
 H   -2.94574047   2.89066720  -2.26720043
 H   -2.91170820   2.98426410  -0.49341898
 N   -1.25506826   3.92796493  -1.35506301
 H   -0.78363917   3.96363243  -2.26589003
 H   -1.71753412   4.83668775  -1.25135712
 20
 Energy -2240.628770236  Dipole 3.957050 Gradient 0.00005790
 C    0.00000000   0.00000000   0.00000000
 C    1.34706381   0.00000000   0.00000000
 S    2.62070361  -1.21484699   0.07579867
 S    1.61942996  -3.13734074   0.02627202
 S    0.93835690  -3.53236848   1.85338253
 S   -1.04838595  -2.23555042   1.82309922
 S   -0.98842677  -1.52836921  -0.06129683
 H    1.84158485   0.98349301   0.00000000
 C   -0.80339198   1.27625110  -0.02674815
 C   -1.60823005   1.48528275  -1.32222849
 H   -1.49970228   1.27224309   0.83317284
 H   -0.13495056   2.14449836   0.09876740
 C   -2.28308573   2.86274246  -1.36340560
 H   -0.93047895   1.38560848  -2.19083014
 H   -2.37784302   0.70058495  -1.42723789
 H   -2.96068315   2.89404101  -2.24424423
 H   -2.92401780   2.97408006  -0.46985947
 N   -1.27450241   3.93413463  -1.32694011
 H   -0.80506206   3.97982138  -2.23834846
 H   -1.74224900   4.83922122  -1.21531077
 20
 Energy -2240.628791167  Dipole 3.945853 Gradient 0.00004359
 C    0.00000000   0.00000000   0.00000000
 C    1.34711074   0.00000000   0.00000000
 S    2.62023193  -1.21519790   0.07797598
 S    1.61866815  -3.13891750   0.06130278
 S    0.93241166  -3.50325752   1.89219071
 S   -1.06471798  -2.22019435   1.82810290
 S   -0.98507366  -1.53022226  -0.06194418
 H    1.84190312   0.98337300   0.00000000
 C   -0.80454440   1.27549762  -0.01865296
 C   -1.61693114   1.48917640  -1.30842446
 H   -1.49635886   1.26657384   0.84500636
 H   -0.13697087   2.14417915   0.10831972
 C   -2.30023448   2.86279884  -1.33576869
 H   -0.94321691   1.39967707  -2.18127019
 H   -2.38249707   0.70073677  -1.41503950
 H   -2.98177071   2.89703037  -2.21346848
 H   -2.93805395   2.96284006  -0.43865887
 N   -1.29825969   3.94024264  -1.29472545
 H   -0.83274088   3.99609157  -2.20758651
 H   -1.77134581   4.84141578  -1.17426384
 20
 Energy -2240.628801605  Dipole 3.934901 Gradient 0.00002934
 C    0.00000000   0.00000000   0.00000000
 C    1.34714868   0.00000000   0.00000000
 S    2.61961448  -1.21558223   0.08126696
 S    1.61815822  -3.14012966   0.09592327
 S    0.92569784  -3.47460006   1.92972289
 S   -1.08078219  -2.20497291   1.83247126
 S   -0.98162896  -1.53203973  -0.06277650
 H    1.84220474   0.98325537   0.00000000
 C   -0.80544553   1.27481185  -0.01090225
 C   -1.62646760   1.49228726  -1.29433645
 H   -1.49175730   1.26225915   0.85720657
 H   -0.13801210   2.14367138   0.11541344
 C   -2.31859718   2.86168436  -1.30768979
 H   -0.95748168   1.41295475  -2.17179303
 H   -2.38779494   0.69988561  -1.40178760
 H   -3.00453453   2.89845079  -2.18186007
 H   -2.95276404   2.95035191  -0.40680212
 N   -1.32360299   3.94544173  -1.26262868
 H   -0.86286147   4.01176977  -2.17721384
 H   -1.80219668   4.84240216  -1.13276463
 20
 Energy -2240.62880986  Dipole 3.926059 Gradient 0.00001406
 C    0.00000000   0.00000000   0.00000000
 C    1.34717039   0.00000000   0.00000000
 S    2.61897141  -1.21613546   0.08340074
 S    1.61719259  -3.14061719   0.12644940
 S    0.91989235  -3.44803009   1.96276047
 S   -1.09486810  -2.19128289   1.83634335
 S   -0.97887055  -1.53353100  -0.06331835
 H    1.84246577   0.98314385   0.00000000
 C   -0.80645341   1.27402324  -0.00564431
 C   -1.62923498   1.49589614  -1.28704392
 H   -1.49189911   1.25649567   0.86318817
 H   -0.14041103   2.14322576   0.12505599
 C   -2.33088499   2.86048220  -1.28948789
 H   -0.96008158   1.42759909  -2.16527281
 H   -2.38523878   0.69917443  -1.40011077
 H   -3.01633445   2.89979962  -2.16395509
 H   -2.96643391   2.93668063  -0.38844026
 N   -1.34389433   3.95103611  -1.23396103
 H   -0.88243493   4.02842978  -2.14732107
 H   -1.82928166   4.84331034  -1.09722400
 20
 Energy -2240.628802665  Dipole 3.917711 Gradient 0.00000282
 C    0.00000000   0.00000000   0.00000000
 C    1.34717829   0.00000000   0.00000000
 S    2.61875580  -1.21627527   0.08451498
 S    1.61791295  -3.14130865   0.14189189
 S    0.91738797  -3.43406468   1.97926034
 S   -1.10171532  -2.18569718   1.83735750
 S   -0.97733742  -1.53428262  -0.06401081
 H    1.84265183   0.98306710   0.00000000
 C   -0.80711915   1.27353483  -0.00326735
 C   -1.63079357   1.49705153  -1.28377767
 H   -1.49225939   1.25346939   0.86579654
 H   -0.14183387   2.14301209   0.12928857
 C   -2.33587167   2.85979570  -1.28217363
 H   -0.96192035   1.43270918  -2.16255121
 H   -2.38491904   0.69882916  -1.39869245
 H   -3.02111689   2.90028763  -2.15674291
 H   -2.97179020   2.93167933  -0.38104378
 N   -1.35166019   3.95275786  -1.22293378
 H   -0.88754156   4.03148820  -2.13488097
 H   -1.84011696   4.84370032  -1.08818385
 20
 Energy -2240.62880323  Dipole 3.933596 Gradient 0.00006898
 C    0.00000000   0.00000000   0.00000000
 C    1.34721473   0.00000000   0.00000000
 S    2.61926352  -1.21554765   0.08433734
 S    1.61890163  -3.14048547   0.13920778
 S    0.91855094  -3.43492269   1.97651209
 S   -1.10092778  -2.18699269   1.83626302
 S   -0.97765816  -1.53411348  -0.06467686
 H    1.84236070   0.98322692   0.00000000
 C   -0.80520259   1.27470973  -0.00427513
 C   -1.62877618   1.49963776  -1.28463995
 H   -1.48946890   1.25807937   0.86541919
 H   -0.13714021   2.14269584   0.12509780
 C   -2.30718825   2.87599247  -1.29459732
 H   -0.96378648   1.41475806  -2.16462258
 H   -2.39773122   0.71438594  -1.38968195
 H   -2.99702403   2.91997030  -2.16532863
 H   -2.93585658   2.97132697  -0.39053405
 N   -1.30060524   3.94928661  -1.25463561
 H   -0.84363842   4.01055242  -2.17147022
 H   -1.76901273   4.85128820  -1.12259132
 20
 Energy -2240.628775042  Dipole 3.952818 Gradient 0.00011161
 C    0.00000000   0.00000000   0.00000000
 C    1.34729260   0.00000000   0.00000000
 S    2.61967640  -1.21468842   0.08475686
 S    1.62100843  -3.14014913   0.15571296
 S    0.91527598  -3.41912999   1.99315348
 S   -1.10985912  -2.18219910   1.83526756
 S   -0.97621963  -1.53464715  -0.06701883
 H    1.84206871   0.98341538   0.00000000
 C   -0.80239939   1.27631367  -0.00457456
 C   -1.62083985   1.50767514  -1.28722363
 H   -1.48811875   1.26199009   0.86394428
 H   -0.13073970   2.14168652   0.12482902
 C   -2.25647398   2.90430261  -1.31377107
 H   -0.95908441   1.39350592  -2.16633673
 H   -2.41229401   0.74406289  -1.38300885
 H   -2.94782204   2.95834640  -2.18263841
 H   -2.87805099   3.03241354  -0.40886383
 N   -1.21564213   3.94510155  -1.29260799
 H   -0.76086859   3.97908041  -2.21192588
 H   -1.65371870   4.86357022  -1.17054394
 20
 Energy -2240.628733078  Dipole 3.973452 Gradient 0.00015527
 C    0.00000000   0.00000000   0.00000000
 C    1.34740337   0.00000000   0.00000000
 S    2.61983016  -1.21425838   0.08487314
 S    1.62216280  -3.13956580   0.17376554
 S    0.91193086  -3.40172498   2.01173049
 S   -1.12016825  -2.17770783   1.83300063
 S   -0.97432401  -1.53547689  -0.07012723
 H    1.84197299   0.98352618   0.00000000
 C   -0.79965678   1.27781670  -0.00570744
 C   -1.60960497   1.51645312  -1.29263585
 H   -1.48921072   1.26505481   0.85963714
 H   -0.12457985   2.14029745   0.12653477
 C   -2.20303000   2.93132803  -1.33581367
 H   -0.94954633   1.37472070  -2.16902002
 H   -2.42206245   0.77462684  -1.38243329
 H   -2.89319035   2.99611988  -2.20481428
 H   -2.81910729   3.09007848  -0.43204546
 N   -1.12996000   3.93917221  -1.32874576
 H   -0.67550569   3.94740547  -2.24881785
 H   -1.53836827   4.87251088  -1.21717906
 20
 Energy -2240.628644662  Dipole 3.992266 Gradient 0.00019883
 C    0.00000000   0.00000000   0.00000000
 C    1.34742995   0.00000000   0.00000000
 S    2.61972451  -1.21390669   0.08471376
 S    1.62274527  -3.13856252   0.19438282
 S    0.90886420  -3.38033768   2.03369290
 S   -1.13101110  -2.17116380   1.83288137
 S   -0.97310771  -1.53594714  -0.07191563
 H    1.84180894   0.98362792   0.00000000
 C   -0.79706387   1.27925960  -0.00561340
 C   -1.60056043   1.52483157  -1.29552426
 H   -1.48886683   1.26775714   0.85781154
 H   -0.11842941   2.13883075   0.12839994
 C   -2.15076929   2.95662366  -1.35521495
 H   -0.94464773   1.35486697  -2.16997694
 H   -2.43391991   0.80585662  -1.37779702
 H   -2.84029209   3.03226838  -2.22378126
 H   -2.75956348   3.14615426  -0.45242498
 N   -1.04630574   3.93006850  -1.36277804
 H   -0.59350412   3.91217858  -2.28349826
 H   -1.42453366   4.87723287  -1.26209255
 20
 Energy -2240.628537913  Dipole 4.008302 Gradient 0.00023941
 C    0.00000000   0.00000000   0.00000000
 C    1.34749837   0.00000000   0.00000000
 S    2.61952912  -1.21377160   0.08488714
 S    1.62299226  -3.13749960   0.21630463
 S    0.90446412  -3.35783729   2.05630330
 S   -1.14246477  -2.16271466   1.83298366
 S   -0.97130915  -1.53674863  -0.07392580
 H    1.84172455   0.98368986   0.00000000
 C   -0.79481256   1.28049264  -0.00550115
 C   -1.59106150   1.53292955  -1.29892600
 H   -1.48947935   1.26930738   0.85544620
 H   -0.11294024   2.13721559   0.13145107
 C   -2.09732188   2.98017924  -1.37609584
 H   -0.93987055   1.33443589  -2.17087388
 H   -2.44479764   0.83763477  -1.37415178
 H   -2.78565464   3.06623982  -2.24453995
 H   -2.69792700   3.20062006  -0.47481287
 N   -0.96240767   3.91777521  -1.39828553
 H   -0.51149170   3.87250956  -2.31901009
 H   -1.30972328   4.87793365  -1.31015358
 20
 Energy -2240.628405061  Dipole 4.022558 Gradient 0.00028587
 C    0.00000000   0.00000000   0.00000000
 C    1.34756559   0.00000000   0.00000000
 S    2.61920499  -1.21375604   0.08452252
 S    1.62351801  -3.13640956   0.23815340
 S    0.89948284  -3.33497745   2.07833457
 S   -1.15525677  -2.15635797   1.83070598
 S   -0.96926941  -1.53761749  -0.07727468
 H    1.84176465   0.98370771   0.00000000
 C   -0.79250814   1.28172243  -0.00645166
 C   -1.58097591   1.53951288  -1.30400609
 H   -1.49047643   1.27205706   0.85165312
 H   -0.10734926   2.13560619   0.13274099
 C   -2.04389117   3.00017721  -1.40015645
 H   -0.93482176   1.31244554  -2.17273371
 H   -2.45396142   0.86805032  -1.37238635
 H   -2.73061798   3.09549656  -2.26887145
 H   -2.63586905   3.25150167  -0.50124314
 N   -0.88045491   3.90170059  -1.43666081
 H   -0.43164463   3.82849547  -2.35659871
 H   -1.19743834   4.87344895  -1.36258675
 20
 Energy -2240.628245166  Dipole 4.033058 Gradient 0.00034275
 C    0.00000000   0.00000000   0.00000000
 C    1.34765749   0.00000000   0.00000000
 S    2.61891044  -1.21376002   0.08392454
 S    1.62508125  -3.13544572   0.26200699
 S    0.89404564  -3.30985864   2.10174156
 S   -1.16976813  -2.15218179   1.82606876
 S   -0.96640219  -1.53888097  -0.08214053
 H    1.84170059   0.98376859   0.00000000
 C   -0.79045499   1.28292301  -0.00945218
 C   -1.56932761   1.54348236  -1.31278014
 H   -1.49268409   1.27558996   0.84498872
 H   -0.10220348   2.13403659   0.13207948
 C   -1.99104003   3.01503227  -1.43098497
 H   -0.92734943   1.28767606  -2.17659619
 H   -2.45977283   0.89488596  -1.37493308
 H   -2.67467556   3.11682265  -2.30138795
 H   -2.57548310   3.29714513  -0.53627055
 N   -0.80182712   3.88163727  -1.48095814
 H   -0.35433711   3.77975176  -2.39882938
 H   -1.09014455   4.86337975  -1.42349799
 20
 Energy -2240.62806253  Dipole 4.035182 Gradient 0.00045244
 C    0.00000000   0.00000000   0.00000000
 C    1.34775214   0.00000000   0.00000000
 S    2.61875138  -1.21386837   0.08118925
 S    1.62979751  -3.13549800   0.28696068
 S    0.88973461  -3.28225536   2.12554419
 S   -1.18526018  -2.15424034   1.81706137
 S   -0.96233396  -1.54094961  -0.08949064
 H    1.84189852   0.98374201   0.00000000
 C   -0.78883026   1.28397064  -0.01553456
 C   -1.55505534   1.54390993  -1.32702198
 H   -1.49749462   1.27978689   0.83336302
 H   -0.09846044   2.13300562   0.12891794
 C   -1.94143231   3.02293333  -1.47086469
 H   -0.91445663   1.26109355  -2.18335997
 H   -2.45964402   0.91501202  -1.38542014
 H   -2.62143688   3.12579186  -2.34397675
 H   -2.51986955   3.33479459  -0.58214970
 N   -0.73154207   3.85942300  -1.53449214
 H   -0.28489081   3.72911038  -2.44916333
 H   -0.99606941   4.84878255  -1.49642308
 20
 Energy -2240.62782621  Dipole 4.024053 Gradient 0.00063012
 C    0.00000000   0.00000000   0.00000000
 C    1.34790159   0.00000000   0.00000000
 S    2.61972261  -1.21298746   0.07604461
 S    1.64171846  -3.13684605   0.31189283
 S    0.88885269  -3.25281315   2.14783499
 S   -1.19956035  -2.16689746   1.80176308
 S   -0.95630164  -1.54413482  -0.10017960
 H    1.84209788   0.98373342   0.00000000
 C   -0.78659177   1.28567787  -0.02638916
 C   -1.53669929   1.53984381  -1.34899378
 H   -1.50429263   1.28731084   0.81466362
 H   -0.09427055   2.13264672   0.12116576
 C   -1.89927461   3.02193107  -1.52086839
 H   -0.89253251   1.23466338  -2.19491213
 H   -2.44995968   0.92364317  -1.40712396
 H   -2.57636390   3.11857743  -2.39701470
 H   -2.47413070   3.36003211  -0.63942700
 N   -0.67621976   3.83769286  -1.59885732
 H   -0.22960342   3.68072176  -2.50937763
 H   -0.92523028   4.83168994  -1.58284462
 20
 Energy -2240.627506844  Dipole 4.000996 Gradient 0.00086386
 C    0.00000000   0.00000000   0.00000000
 C    1.34810037   0.00000000   0.00000000
 S    2.62251432  -1.21019791   0.06955553
 S    1.66267392  -3.13906478   0.33336992
 S    0.89287796  -3.22378751   2.16489061
 S   -1.20935539  -2.19184111   1.78056923
 S   -0.94948864  -1.54785777  -0.11355218
 H    1.84196043   0.98400363   0.00000000
 C   -0.78375600   1.28780950  -0.04084045
 C   -1.51634119   1.53219792  -1.37567147
 H   -1.51157409   1.29770544   0.79120700
 H   -0.09011515   2.13344824   0.10856921
 C   -1.86805407   3.01356363  -1.57473081
 H   -0.86433594   1.21118681  -2.20962777
 H   -2.43269067   0.92089196  -1.43661071
 H   -2.54303633   3.09795156  -2.45383311
 H   -2.44242626   3.37174151  -0.70094267
 N   -0.63974701   3.81984340  -1.66630130
 H   -0.19183016   3.64046486  -2.57200389
 H   -0.88285138   4.81543353  -1.67274550
 20
 Energy -2240.627061169  Dipole 3.972489 Gradient 0.00114171
 C    0.00000000   0.00000000   0.00000000
 C    1.34843288   0.00000000   0.00000000
 S    2.62760622  -1.20524736   0.06367122
 S    1.69165103  -3.14138601   0.35019359
 S    0.90108381  -3.19620077   2.17563364
 S   -1.21327763  -2.22658544   1.75565782
 S   -0.94355053  -1.55094901  -0.12844469
 H    1.84144684   0.98450799   0.00000000
 C   -0.78026108   1.29028787  -0.05688368
 C   -1.49594610   1.52241994  -1.40352264
 H   -1.51776373   1.30985090   0.76621041
 H   -0.08534998   2.13482106   0.09309109
 C   -1.84712619   3.00050920  -1.62683960
 H   -0.83360058   1.19172857  -2.22546127
 H   -2.41109969   0.90966007  -1.46853094
 H   -2.52027648   3.06970507  -2.50879159
 H   -2.42409734   3.37277533  -0.76067791
 N   -0.61953145   3.80639991  -1.72924343
 H   -0.16957158   3.61223410  -2.63091815
 H   -0.86401885   4.80138908  -1.75346311
 20
 Energy -2240.626481524  Dipole 3.941132 Gradient 0.00142435
 C    0.00000000   0.00000000   0.00000000
 C    1.34878059   0.00000000   0.00000000
 S    2.63476305  -1.19802720   0.05861325
 S    1.72686875  -3.14321409   0.36161435
 S    0.91244277  -3.17073128   2.17940062
 S   -1.21137196  -2.26821568   1.72848733
 S   -0.93956276  -1.55275119  -0.14362756
 H    1.84031770   0.98541151   0.00000000
 C   -0.77609928   1.29298023  -0.07247175
 C   -1.47808086   1.51206972  -1.42878607
 H   -1.52152867   1.32290301   0.74299671
 H   -0.07974058   2.13655031   0.07629223
 C   -1.83518713   2.98556076  -1.67248673
 H   -0.80555784   1.17631333  -2.24034212
 H   -2.38940498   0.89396916  -1.49760807
 H   -2.50632928   3.03904353  -2.55710295
 H   -2.41667752   3.36669150  -0.81321334
 N   -0.61167734   3.79653369  -1.78294231
 H   -0.15916112   3.59301643  -2.68120669
 H   -0.86167850   4.78976006  -1.82080829
 20
 Energy -2240.625699572  Dipole 3.906038 Gradient 0.00172026
 C    0.00000000   0.00000000   0.00000000
 C    1.34926476   0.00000000   0.00000000
 S    2.64355958  -1.18872532   0.05537907
 S    1.76607328  -3.14402603   0.36842576
 S    0.92527318  -3.14737961   2.17706656
 S   -1.20501251  -2.31459585   1.69942647
 S   -0.93774581  -1.55288996  -0.15885376
 H    1.83860551   0.98661830   0.00000000
 C   -0.77148927   1.29573188  -0.08723206
 C   -1.46304749   1.50203128  -1.45107505
 H   -1.52290194   1.33641159   0.72213102
 H   -0.07342022   2.13841742   0.05829324
 C   -1.82944507   2.97043227  -1.71085257
 H   -0.78146377   1.16426621  -2.25423236
 H   -2.36943811   0.87689816  -1.52252977
 H   -2.49802271   3.00940189  -2.59824858
 H   -2.41701357   3.35619880  -0.85782413
 N   -0.61197628   3.78966991  -1.82617705
 H   -0.15498920   3.57993702  -2.72080190
 H   -0.86966811   4.78038894  -1.87569894
 20
 Energy -2240.624763419  Dipole 3.873392 Gradient 0.00201192
 C    0.00000000   0.00000000   0.00000000
 C    1.34974269   0.00000000   0.00000000
 S    2.65345756  -1.17827585   0.05362880
 S    1.80712433  -3.14402607   0.37047444
 S    0.93854000  -3.12647760   2.16919062
 S   -1.19515389  -2.36458943   1.66870542
 S   -0.93830213  -1.55141613  -0.17371711
 H    1.83649617   0.98813830   0.00000000
 C   -0.76687375   1.29840197  -0.10049209
 C   -1.45065448   1.49291866  -1.47002606
 H   -1.52275195   1.34918814   0.70403244
 H   -0.06708345   2.14033607   0.04107617
 C   -1.82823153   2.95632051  -1.74149811
 H   -0.76122518   1.15565361  -2.26668979
 H   -2.35154893   0.86001928  -1.54342333
 H   -2.49376179   2.98303573  -2.63165757
 H   -2.42258261   3.34288335  -0.89351753
 N   -0.61778433   3.78562958  -1.85813205
 H   -0.15621988   3.57456491  -2.74997516
 H   -0.88424843   4.77368866  -1.91464375
 20
 Energy -2240.623642955  Dipole 3.842708 Gradient 0.00228302
 C    0.00000000   0.00000000   0.00000000
 C    1.35027776   0.00000000   0.00000000
 S    2.66390037  -1.16729189   0.05374028
 S    1.84817315  -3.14310705   0.36914261
 S    0.95093993  -3.10747794   2.15746274
 S   -1.18274264  -2.41631825   1.63714173
 S   -0.94132919  -1.54815451  -0.18768396
 H    1.83418230   0.98963811   0.00000000
 C   -0.76203101   1.30106520  -0.11237589
 C   -1.44055456   1.48501397  -1.48601460
 H   -1.52070828   1.36194130   0.68868331
 H   -0.06013666   2.14206373   0.02383020
 C   -1.82981217   2.94375657  -1.76566423
 H   -0.74450969   1.14985606  -2.27782739
 H   -2.33593155   0.84436314  -1.56075951
 H   -2.49188795   2.96040409  -2.65867148
 H   -2.43126421   3.32847917  -0.92190569
 N   -0.62673387   3.78385569  -1.88101116
 H   -0.16046279   3.57456158  -2.77094330
 H   -0.90222729   4.76917543  -1.94129218
 20
 Energy -2240.622317859  Dipole 3.813343 Gradient 0.00253729
 C    0.00000000   0.00000000   0.00000000
 C    1.35082526   0.00000000   0.00000000
 S    2.67456388  -1.15600238   0.05588115
 S    1.88824554  -3.14128582   0.36453529
 S    0.96165772  -3.09084143   2.14220729
 S   -1.16848225  -2.46957729   1.60394687
 S   -0.94668970  -1.54318987  -0.20120022
 H    1.83178066   0.99131216   0.00000000
 C   -0.75766216   1.30340140  -0.12253145
 C   -1.43220762   1.47876758  -1.49928246
 H   -1.51865188   1.37259421   0.67562964
 H   -0.05406806   2.14358864   0.00894390
 C   -1.83331152   2.93334339  -1.78366324
 H   -0.73047615   1.14723455  -2.28759821
 H   -2.32208192   0.83054865  -1.57534222
 H   -2.49148105   2.94218499  -2.67964431
 H   -2.44217660   3.31398317  -0.94336170
 N   -0.63768284   3.78450276  -1.89515713
 H   -0.16665779   3.57968390  -2.78345345
 H   -0.92215239   4.76726052  -1.95623919
 20
 Energy -2240.620907488  Dipole 3.785424 Gradient 0.00274244
 C    0.00000000   0.00000000   0.00000000
 C    1.35135130   0.00000000   0.00000000
 S    2.68505308  -1.14482014   0.05964099
 S    1.92642081  -3.13871789   0.35701456
 S    0.97044079  -3.07647255   2.12436326
 S   -1.15268183  -2.52351017   1.56970715
 S   -0.95444558  -1.53643074  -0.21368496
 H    1.82918373   0.99290681   0.00000000
 C   -0.75363419   1.30560466  -0.13090936
 C   -1.42559739   1.47441516  -1.50968991
 H   -1.51641185   1.38101226   0.66491162
 H   -0.04890956   2.14535589  -0.00235262
 C   -1.83823442   2.92532903  -1.79571548
 H   -0.71926952   1.14754569  -2.29587086
 H   -2.31026206   0.81914251  -1.58707781
 H   -2.49245083   2.92861380  -2.69465527
 H   -2.45429723   3.30000540  -0.95802603
 N   -0.64994491   3.78738664  -1.90138140
 H   -0.17416299   3.58898414  -2.78877694
 H   -0.94300776   4.76764682  -1.96107295
 20
 Energy -2240.619323873  Dipole 3.759159 Gradient 0.00289481
 C    0.00000000   0.00000000   0.00000000
 C    1.35182608   0.00000000   0.00000000
 S    2.69518710  -1.13390090   0.06502022
 S    1.96229268  -3.13538607   0.34742683
 S    0.97714536  -3.06406310   2.10510416
 S   -1.13569804  -2.57736978   1.53485065
 S   -0.96438913  -1.52797383  -0.22484465
 H    1.82661040   0.99456495   0.00000000
 C   -0.74983915   1.30767739  -0.13775799
 C   -1.42055161   1.47161104  -1.51772976
 H   -1.51370412   1.38857746   0.65655902
 H   -0.04388295   2.14683636  -0.01246559
 C   -1.84416091   2.91945791  -1.80284332
 H   -0.71070884   1.15007524  -2.30292490
 H   -2.30045472   0.80997759  -1.59620468
 H   -2.49438675   2.91918463  -2.70462334
 H   -2.46709623   3.28690623  -0.96700908
 N   -0.66289040   3.79198801  -1.90118933
 H   -0.18262144   3.60134284  -2.78764568
 H   -0.96430504   4.76995417  -1.95796517
 20
 Energy -2240.61763144  Dipole 3.734238 Gradient 0.00298735
 C    0.00000000   0.00000000   0.00000000
 C    1.35229220   0.00000000   0.00000000
 S    2.70470110  -1.12376936   0.07121216
 S    1.99519469  -3.13167395   0.33510839
 S    0.98164497  -3.05422555   2.08425428
 S   -1.11794586  -2.63082246   1.49909304
 S   -0.97676289  -1.51747209  -0.23465450
 H    1.82412253   0.99605609   0.00000000
 C   -0.74629434   1.30981064  -0.14247652
 C   -1.41672445   1.47117844  -1.52286809
 H   -1.51053733   1.39460666   0.65091997
 H   -0.03904358   2.14822703  -0.01973272
 C   -1.85050961   2.91662435  -1.80437079
 H   -0.70430332   1.15581981  -2.30824785
 H   -2.29216856   0.80372487  -1.60264777
 H   -2.49705114   2.91487614  -2.70883445
 H   -2.47971717   3.27567259  -0.96965298
 N   -0.67584098   3.79889731  -1.89414502
 H   -0.19119966   3.61707105  -2.78031585
 H   -0.98466560   4.77472420  -1.94635463
 20
 Energy -2240.615867905  Dipole 3.710373 Gradient 0.00300233
 C    0.00000000   0.00000000   0.00000000
 C    1.35268763   0.00000000   0.00000000
 S    2.71358169  -1.11430439   0.07897010
 S    2.02525444  -3.12752787   0.32134852
 S    0.98361732  -3.04672025   2.06285217
 S   -1.10001254  -2.68341663   1.46219196
 S   -0.99128694  -1.50516472  -0.24323444
 H    1.82170641   0.99753384   0.00000000
 C   -0.74302759   1.31189544  -0.14570973
 C   -1.41363497   1.47261041  -1.52607425
 H   -1.50749430   1.39933325   0.64728369
 H   -0.03476705   2.14963521  -0.02456435
 C   -1.85683199   2.91624829  -1.80189901
 H   -0.69872999   1.16415768  -2.31189207
 H   -2.28529250   0.80039447  -1.60835571
 H   -2.49966577   2.91479798  -2.70892850
 H   -2.49200550   3.26597730  -0.96770211
 N   -0.68828130   3.80751542  -1.88188177
 H   -0.19954348   3.63529800  -2.76744481
 H   -1.00394880   4.78151719  -1.92822734
 20
 Energy -2240.614072226  Dipole 3.686822 Gradient 0.00294759
 C    0.00000000   0.00000000   0.00000000
 C    1.35302942   0.00000000   0.00000000
 S    2.72173233  -1.10547472   0.08808845
 S    2.05248218  -3.12291154   0.30696460
 S    0.98339719  -3.04110075   2.04189170
 S   -1.08198464  -2.73441987   1.42500371
 S   -1.00797943  -1.49114472  -0.24994128
 H    1.81934719   0.99881655   0.00000000
 C   -0.73998689   1.31401849  -0.14778777
 C   -1.41152221   1.47558506  -1.52758556
 H   -1.50413812   1.40309584   0.64516007
 H   -0.03067813   2.15098284  -0.02780677
 C   -1.86326883   2.91787327  -1.79622259
 H   -0.69498498   1.17428667  -2.31473677
 H   -2.27956935   0.79895208  -1.61232023
 H   -2.50272056   2.91809830  -2.70567981
 H   -2.50376742   3.25787065  -0.96214556
 N   -0.70036197   3.81727156  -1.86573534
 H   -0.20753363   3.65512101  -2.75120302
 H   -1.02194849   4.78953408  -1.90542582
 20
 Energy -2240.612286766  Dipole 3.662507 Gradient 0.00282526
 C    0.00000000   0.00000000   0.00000000
 C    1.35324704   0.00000000   0.00000000
 S    2.72919859  -1.09730770   0.09676729
 S    2.07714885  -3.11798432   0.29014525
 S    0.98236748  -3.03818481   2.02021225
 S   -1.06330410  -2.78416256   1.38727354
 S   -1.02674502  -1.47536377  -0.25418687
 H    1.81678240   1.00021830   0.00000000
 C   -0.73711807   1.31633590  -0.14759326
 C   -1.41110226   1.48065059  -1.52582056
 H   -1.50011986   1.40592742   0.64651265
 H   -0.02650642   2.15224627  -0.02835758
 C   -1.87063133   2.92216631  -1.78513963
 H   -0.69401693   1.18681149  -2.31524847
 H   -2.27626905   0.80051941  -1.61290407
 H   -2.50727546   2.92569235  -2.69647151
 H   -2.51557855   3.25185823  -0.95029487
 N   -0.71282121   3.82881461  -1.84394790
 H   -0.21671128   3.67719856  -2.72914510
 H   -1.03988978   4.79961026  -1.87572618
 20
 Energy -2240.610552269  Dipole 3.636480 Gradient 0.00263548
 C    0.00000000   0.00000000   0.00000000
 C    1.35345293   0.00000000   0.00000000
 S    2.73588456  -1.08995008   0.10563829
 S    2.09907179  -3.11290458   0.27165748
 S    0.97975177  -3.03811326   1.99796378
 S   -1.04496606  -2.83222911   1.34799817
 S   -1.04742301  -1.45783019  -0.25642487
 H    1.81437818   1.00135639   0.00000000
 C   -0.73414920   1.31895420  -0.14560702
 C   -1.41140327   1.48793480  -1.52155964
 H   -1.49540566   1.40811162   0.65003864
 H   -0.02191802   2.15347972  -0.02670219
 C   -1.87769684   2.92920680  -1.76968933
 H   -0.69486089   1.20176200  -2.31430119
 H   -2.27419118   0.80497388  -1.61084138
 H   -2.51219983   2.93762149  -2.68249701
 H   -2.52618022   3.24831190  -0.93352287
 N   -0.72440841   3.84222559  -1.81734392
 H   -0.22548770   3.70155457  -2.70305523
 H   -1.05614623   4.81158040  -1.84070368
 20
 Energy -2240.608921852  Dipole 3.609410 Gradient 0.00238752
 C    0.00000000   0.00000000   0.00000000
 C    1.35357002   0.00000000   0.00000000
 S    2.74166305  -1.08342466   0.11510137
 S    2.11800297  -3.10780155   0.25211409
 S    0.97513423  -3.04088305   1.97526701
 S   -1.02777575  -2.87830806   1.30656756
 S   -1.06992696  -1.43860099  -0.25689168
 H    1.81197062   1.00253613   0.00000000
 C   -0.73107407   1.32184615  -0.14246240
 C   -1.41205010   1.49735018  -1.51560762
 H   -1.49017684   1.41011108   0.65547159
 H   -0.01686674   2.15454887  -0.02314499
 C   -1.88386463   2.93893546  -1.75079925
 H   -0.69641390   1.21894480  -2.31184759
 H   -2.27341373   0.81288394  -1.60787011
 H   -2.51637398   2.95371378  -2.66484824
 H   -2.53559629   3.24664280  -0.91284773
 N   -0.73450664   3.85732550  -1.78672429
 H   -0.23319766   3.72837582  -2.67257175
 H   -1.07034451   4.82552576  -1.79993485
 20
 Energy -2240.607393399  Dipole 3.582311 Gradient 0.00210849
 C    0.00000000   0.00000000   0.00000000
 C    1.35362112   0.00000000   0.00000000
 S    2.74661606  -1.07773814   0.12424843
 S    2.13408156  -3.10283775   0.23046796
 S    0.96934398  -3.04742495   1.95076189
 S   -1.01151308  -2.92269322   1.26180489
 S   -1.09394846  -1.41779907  -0.25538472
 H    1.80971840   1.00349298   0.00000000
 C   -0.72798380   1.32508666  -0.13723288
 C   -1.41316836   1.50937069  -1.50694650
 H   -1.48433972   1.41158494   0.66329851
 H   -0.01130635   2.15549645  -0.01722810
 C   -1.88971340   2.95182314  -1.72697642
 H   -0.69921720   1.23966039  -2.30771041
 H   -2.27374003   0.82430422  -1.60296570
 H   -2.52063589   2.97483016  -2.64197074
 H   -2.54395186   3.24764439  -0.88677577
 N   -0.74356201   3.87454936  -1.75001093
 H   -0.24061873   3.75849068  -2.63698360
 H   -1.08246830   4.84167423  -1.75151492
 20
 Energy -2240.60606073  Dipole 3.554881 Gradient 0.00179697
 C    0.00000000   0.00000000   0.00000000
 C    1.35358571   0.00000000   0.00000000
 S    2.75079821  -1.07265111   0.13393882
 S    2.14783527  -3.09762691   0.20894920
 S    0.96262481  -3.05635239   1.92624957
 S   -0.99622977  -2.96457729   1.21510565
 S   -1.11893906  -1.39605755  -0.25104089
 H    1.80726100   1.00453630   0.00000000
 C   -0.72491141   1.32849749  -0.13108898
 C   -1.41492412   1.52285538  -1.49677295
 H   -1.47821333   1.41257509   0.67269474
 H   -0.00571160   2.15636214  -0.00935648
 C   -1.89515710   2.96646130  -1.70043561
 H   -0.70286353   1.26193975  -2.30201826
 H   -2.27431088   0.83678914  -1.59631171
 H   -2.52459163   2.99888951  -2.61608111
 H   -2.55153268   3.25017224  -0.85767597
 N   -0.75155209   3.89258487  -1.71029348
 H   -0.24719043   3.78977862  -2.59781601
 H   -1.09315924   4.85875052  -1.69866789
 20
 Energy -2240.604894137  Dipole 3.530295 Gradient 0.00145822
 C    0.00000000   0.00000000   0.00000000
 C    1.35352680   0.00000000   0.00000000
 S    2.75424243  -1.06838025   0.14251277
 S    2.15946986  -3.09245624   0.18349943
 S    0.95532832  -3.06974994   1.89786307
 S   -0.98203222  -3.00532589   1.16295406
 S   -1.14444992  -1.37332274  -0.24529957
 H    1.80518206   1.00529489   0.00000000
 C   -0.72195040   1.33213395  -0.12218685
 C   -1.41713063   1.53946200  -1.48304069
 H   -1.47150610   1.41259183   0.68527355
 H    0.00007531   2.15710621   0.00191715
 C   -1.90020144   2.98474903  -1.66747366
 H   -0.70769544   1.28805387  -2.29361880
 H   -2.27654914   0.85412141  -1.58754135
 H   -2.52856887   3.02860326  -2.58340900
 H   -2.55811072   3.25523294  -0.82167292
 N   -0.75869162   3.91337944  -1.66264303
 H   -0.25349344   3.82510583  -2.55147608
 H   -1.10201060   4.87858057  -1.63666313
 20
 Energy -2240.603920305  Dipole 3.508028 Gradient 0.00110565
 C    0.00000000   0.00000000   0.00000000
 C    1.35337740   0.00000000   0.00000000
 S    2.75678462  -1.06465764   0.15257610
 S    2.16885547  -3.08709749   0.16099553
 S    0.94707721  -3.08377020   1.87166694
 S   -0.96935609  -3.04223221   1.11092102
 S   -1.17012079  -1.35035507  -0.23543855
 H    1.80284837   1.00615297   0.00000000
 C   -0.71891347   1.33586692  -0.11358574
 C   -1.41969966   1.55619930  -1.46915764
 H   -1.46449679   1.41278045   0.69796345
 H    0.00620749   2.15755246   0.01340997
 C   -1.90462766   3.00321251  -1.63441457
 H   -0.71296432   1.31405143  -2.28481883
 H   -2.27926291   0.87171797  -1.57803011
 H   -2.53207227   3.05889262  -2.55026813
 H   -2.56377776   3.26086513  -0.78553979
 N   -0.76458358   3.93340307  -1.61537121
 H   -0.25826682   3.85913737  -2.50461985
 H   -1.10928642   4.89762581  -1.57463252
 20
 Energy -2240.603148223  Dipole 3.492173 Gradient 0.00074212
 C    0.00000000   0.00000000   0.00000000
 C    1.35323978   0.00000000   0.00000000
 S    2.75867780  -1.06197207   0.15969526
 S    2.17652871  -3.08204858   0.13148545
 S    0.93874968  -3.10378199   1.83798834
 S   -0.95762649  -3.07844178   1.05004449
 S   -1.19540306  -1.32683971  -0.22528831
 H    1.80097725   1.00672891   0.00000000
 C   -0.71587300   1.33989537  -0.10119500
 C   -1.42269134   1.57722582  -1.45034475
 H   -1.45655305   1.41190474   0.71511621
 H    0.01304184   2.15753855   0.02955568
 C   -1.90860770   3.02643126  -1.59209202
 H   -0.71958678   1.34595507  -2.27226379
 H   -2.28301013   0.89468741  -1.56515590
 H   -2.53563895   3.09695138  -2.50716532
 H   -2.56835822   3.26934271  -0.73935207
 N   -0.76953034   3.95732417  -1.55655620
 H   -0.26316084   3.89934579  -2.44714494
 H   -1.11506650   4.92031993  -1.49885506
 20
 Energy -2240.602597346  Dipole 3.481528 Gradient 0.00037213
 C    0.00000000   0.00000000   0.00000000
 C    1.35306131   0.00000000   0.00000000
 S    2.75993618  -1.05952703   0.16840473
 S    2.18261679  -3.07662495   0.10854937
 S    0.93065161  -3.12169354   1.81027053
 S   -0.94675001  -3.10934286   0.99413895
 S   -1.22006132  -1.30420787  -0.20855472
 H    1.79886309   1.00743739   0.00000000
 C   -0.71303465   1.34360514  -0.09036448
 C   -1.42645812   1.59602553  -1.43284450
 H   -1.44874542   1.41176035   0.73078504
 H    0.01947349   2.15739713   0.04333795
 C   -1.91274196   3.04710905  -1.55315128
 H   -0.72751951   1.37444226  -2.26090203
 H   -2.28795504   0.91578759  -1.55210912
 H   -2.53956527   3.13125284  -2.46718663
 H   -2.57280523   3.27658703  -0.69692784
 N   -0.77428433   3.97799032  -1.50295302
 H   -0.26743664   3.93470530  -2.39395270
 H   -1.12019417   4.93974651  -1.42913844
 20
 Energy -2240.602267242  Dipole 3.478521 Gradient 0.00001675
 C    0.00000000   0.00000000   0.00000000
 C    1.35291257   0.00000000   0.00000000
 S    2.76046834  -1.05801629   0.17530348
 S    2.18757239  -3.07148961   0.07768297
 S    0.92128978  -3.14650519   1.77252958
 S   -0.93745901  -3.13994638   0.92590001
 S   -1.24313404  -1.28183913  -0.19367353
 H    1.79724435   1.00788281   0.00000000
 C   -0.71004827   1.34762301  -0.07499466
 C   -1.42939572   1.62010773  -1.40981173
 H   -1.44055294   1.40963624   0.75120122
 H    0.02647131   2.15667914   0.06443480
 C   -1.91545291   3.07326100  -1.50376069
 H   -0.73429585   1.41098319  -2.24429393
 H   -2.29209368   0.94282032  -1.53645039
 H   -2.54135488   3.17431619  -2.41669292
 H   -2.57625904   3.28679890  -0.64403362
 N   -0.77732874   4.00341406  -1.43509108
 H   -0.27006029   3.97754202  -2.32658632
 H   -1.12356284   4.96345200  -1.34297164
 20
 Energy -2240.602152749  Dipole 3.483553  ZPE 0.137429  G(298.15) 59.58
 C    0.00000000   0.00000000   0.00000000
 C    1.35277803   0.00000000   0.00000000
 S    2.76052511  -1.05683934   0.18317128
 S    2.19202944  -3.06632240   0.05074204
 S    0.91191274  -3.17035343   1.73762605
 S   -0.92866468  -3.16610177   0.85920592
 S   -1.26455691  -1.26093582  -0.17468676
 H    1.79565388   1.00833569   0.00000000
 C   -0.70752440   1.35117405  -0.06047204
 C   -1.43154295   1.64291477  -1.38805094
 H   -1.43357604   1.40686392   0.77008395
 H    0.03242644   2.15582256   0.08537868
 C   -1.91724701   3.09763553  -1.45675797
 H   -0.73936664   1.44605844  -2.22788442
 H   -2.29512727   0.96838928  -1.52250652
 H   -2.54215756   3.21498801  -2.36835308
 H   -2.57909982   3.29556118  -0.59407357
 N   -0.77945211   4.02664172  -1.36993915
 H   -0.27170778   4.01828984  -2.26146438
 H   -1.12585293   4.98459653  -1.25894822
 20
 Energy -2240.602261016  Dipole 3.496397 Gradient 0.00001675
 C    0.00000000   0.00000000   0.00000000
 C    1.35265029   0.00000000   0.00000000
 S    2.76068507  -1.05569303   0.18877695
 S    2.19668938  -3.06097409   0.02424608
 S    0.90485330  -3.19435967   1.70310782
 S   -0.91893363  -3.18850747   0.79348933
 S   -1.28397086  -1.24201289  -0.15126049
 H    1.79418553   1.00875017   0.00000000
 C   -0.70547983   1.35416513  -0.04575624
 C   -1.43430880   1.66513290  -1.36568879
 H   -1.42721177   1.40313380   0.78899253
 H    0.03751440   2.15451828   0.10721621
 C   -1.91956550   3.12102972  -1.40841966
 H   -0.74531582   1.48098101  -2.21096037
 H   -2.29870879   0.99335718  -1.50766343
 H   -2.54491779   3.25519241  -2.31736867
 H   -2.58077159   3.30333218  -0.54181066
 N   -0.78157983   4.04819933  -1.30521214
 H   -0.27560915   4.05794555  -2.19768592
 H   -1.12754746   5.00366523  -1.17361996
 20
 Energy -2240.602576061  Dipole 3.511414 Gradient 0.00035072
 C    0.00000000   0.00000000   0.00000000
 C    1.35259677   0.00000000   0.00000000
 S    2.76031114  -1.05494952   0.19460082
 S    2.20124098  -3.05574172  -0.00386553
 S    0.89673911  -3.22141834   1.66425293
 S   -0.91030315  -3.20828069   0.72180214
 S   -1.30096926  -1.22481015  -0.12814154
 H    1.79306981   1.00907811   0.00000000
 C   -0.70316414   1.35717444  -0.02934289
 C   -1.43595328   1.68931473  -1.34123071
 H   -1.42071449   1.39888992   0.80941687
 H    0.04323369   2.15254065   0.13194045
 C   -1.92022984   3.14607123  -1.35650464
 H   -0.74982118   1.51882493  -2.19166482
 H   -2.30125866   1.02078905  -1.49207124
 H   -2.54521171   3.29805190  -2.26289224
 H   -2.58160530   3.31203493  -0.48676443
 N   -0.78198796   4.07085405  -1.23489547
 H   -0.27517477   4.09684480  -2.12665686
 H   -1.12817397   5.02385577  -1.08684942
 20
 Energy -2240.603087706  Dipole 3.530923 Gradient 0.00069106
 C    0.00000000   0.00000000   0.00000000
 C    1.35257841   0.00000000   0.00000000
 S    2.75980064  -1.05409003   0.20151367
 S    2.20644467  -3.05054154  -0.02790878
 S    0.88955003  -3.24763530   1.62825367
 S   -0.90139542  -3.22407245   0.65317612
 S   -1.31554211  -1.21025735  -0.10124962
 H    1.79185579   1.00945934   0.00000000
 C   -0.70146791   1.35945404  -0.01340821
 C   -1.43788677   1.71125534  -1.31740210
 H   -1.41535524   1.39368482   0.82893870
 H    0.04739945   2.15044155   0.15675261
 C   -1.92154542   3.16825423  -1.30724370
 H   -0.75411462   1.55403403  -2.17223372
 H   -2.30366052   1.04548862  -1.47649747
 H   -2.54551082   3.33670604  -2.21136855
 H   -2.58376170   3.31882445  -0.43529767
 N   -0.78325822   4.09052029  -1.16764482
 H   -0.27393036   4.13104571  -2.05734067
 H   -1.12950849   5.04104389  -1.00456786
 20
 Energy -2240.60378062  Dipole 3.559421 Gradient 0.00100516
 C    0.00000000   0.00000000   0.00000000
 C    1.35265989   0.00000000   0.00000000
 S    2.75938024  -1.05375226   0.20562500
 S    2.21251042  -3.04539421  -0.05737898
 S    0.88345874  -3.27759543   1.58531744
 S   -0.89202401  -3.23758512   0.57809638
 S   -1.32726277  -1.19824226  -0.07502515
 H    1.79115018   1.00969687   0.00000000
 C   -0.70009896   1.36110869   0.00451448
 C   -1.43955210   1.73475589  -1.29090826
 H   -1.41084467   1.38622504   0.84995689
 H    0.05092483   2.14757397   0.18514180
 C   -1.92282679   3.19143024  -1.25214318
 H   -0.75812165   1.59292868  -2.15029718
 H   -2.30561757   1.07195420  -1.45981737
 H   -2.54634624   3.37828184  -2.15296850
 H   -2.58533511   3.32472882  -0.37763876
 N   -0.78437427   4.11053126  -1.09336998
 H   -0.27476248   4.16881776  -1.98203693
 H   -1.13045257   5.05771431  -0.91158119
 20
 Energy -2240.604619728  Dipole 3.590054 Gradient 0.00128642
 C    0.00000000   0.00000000   0.00000000
 C    1.35275585   0.00000000   0.00000000
 S    2.75866855  -1.05293724   0.21283775
 S    2.21958025  -3.04050234  -0.08000505
 S    0.87709689  -3.30580486   1.54672204
 S   -0.88258891  -3.24703202   0.50636355
 S   -1.33616889  -1.18916921  -0.04754967
 H    1.79023834   1.01007196   0.00000000
 C   -0.69911646   1.36214131   0.01925167
 C   -1.43951145   1.75537430  -1.26901442
 H   -1.40843875   1.37900812   0.86637111
 H    0.05321564   2.14444445   0.21134347
 C   -1.92296227   3.21106947  -1.20452319
 H   -0.75876901   1.62808499  -2.13116166
 H   -2.30522554   1.09495232  -1.44798534
 H   -2.54519991   3.41456254  -2.10256622
 H   -2.58678761   3.32804255  -0.32862990
 N   -0.78497077   4.12745544  -1.02691475
 H   -0.27377990   4.20240386  -1.91330917
 H   -1.13178950   5.07096346  -0.82816173
 20
 Energy -2240.605599804  Dipole 3.624164 Gradient 0.00153031
 C    0.00000000   0.00000000   0.00000000
 C    1.35289471   0.00000000   0.00000000
 S    2.75806114  -1.05246964   0.21712941
 S    2.22769114  -3.03581121  -0.10752439
 S    0.87221257  -3.33730583   1.50126000
 S   -0.87245061  -3.25413291   0.42954761
 S   -1.34240596  -1.18270540  -0.02084580
 H    1.78958562   1.01041587   0.00000000
 C   -0.69850666   1.36247450   0.03673068
 C   -1.43912508   1.77723033  -1.24392203
 H   -1.40712390   1.36899369   0.88478270
 H    0.05430902   2.14093472   0.24194600
 C   -1.92328927   3.23125122  -1.15144720
 H   -0.75869144   1.66647833  -2.10860008
 H   -2.30419025   1.11938529  -1.43459177
 H   -2.54422295   3.45254758  -2.04618669
 H   -2.58846714   3.33051909  -0.27438902
 N   -0.78601370   4.14453612  -0.95351201
 H   -0.27363896   4.23773125  -1.83761800
 H   -1.13363433   5.08368452  -0.73641589
 20
 Energy -2240.60669291  Dipole 3.659771 Gradient 0.00173057
 C    0.00000000   0.00000000   0.00000000
 C    1.35303118   0.00000000   0.00000000
 S    2.75737709  -1.05194666   0.22266009
 S    2.23701167  -3.03139809  -0.13186175
 S    0.86755862  -3.36849475   1.45670858
 S   -0.86204876  -3.25781096   0.35455502
 S   -1.34616108  -1.17890341   0.00608920
 H    1.78892436   1.01071251   0.00000000
 C   -0.69824596   1.36223091   0.05232591
 C   -1.43788616   1.79731272  -1.22142940
 H   -1.40746830   1.35843562   0.90029327
 H    0.05439592   2.13672896   0.27190555
 C   -1.92318754   3.24908854  -1.10228620
 H   -0.75681770   1.70290263  -2.08748638
 H   -2.30188908   1.14181209  -1.42391923
 H   -2.54260315   3.48754372  -1.99360119
 H   -2.59013143   3.33061250  -0.22468137
 N   -0.78685533   4.15913713  -0.88427267
 H   -0.27268261   4.26983279  -1.76520193
 H   -1.13581005   5.09366133  -0.64990247
 20
 Energy -2240.607850473  Dipole 3.697305 Gradient 0.00188649
 C    0.00000000   0.00000000   0.00000000
 C    1.35325370   0.00000000   0.00000000
 S    2.75653921  -1.05157890   0.22887193
 S    2.24795877  -3.02714314  -0.15700207
 S    0.86294065  -3.40154571   1.40799639
 S   -0.85106999  -3.25894897   0.27602140
 S   -1.34737480  -1.17775782   0.03015101
 H    1.78857294   1.01102422   0.00000000
 C   -0.69845167   1.36130702   0.06772547
 C   -1.43483198   1.81727966  -1.19990038
 H   -1.41009320   1.34599046   0.91382667
 H    0.05314466   2.13190107   0.30362177
 C   -1.92222134   3.26598863  -1.05397263
 H   -0.75148103   1.74026895  -2.06588965
 H   -2.29696476   1.16388502  -1.41642021
 H   -2.53893603   3.52162673  -1.94239766
 H   -2.59197540   3.32966099  -0.17705256
 N   -0.78749709   4.17272659  -0.81388989
 H   -0.27079008   4.30190208  -1.69095628
 H   -1.13821452   5.10198494  -0.56194871
 20
 Energy -2240.609067326  Dipole 3.734451 Gradient 0.00199738
 C    0.00000000   0.00000000   0.00000000
 C    1.35345270   0.00000000   0.00000000
 S    2.75544056  -1.05142786   0.23549733
 S    2.26034392  -3.02327080  -0.18223869
 S    0.85856235  -3.43575650   1.35610392
 S   -0.83949965  -3.25744644   0.19586989
 S   -1.34637472  -1.17892820   0.05198189
 H    1.78823582   1.01125116   0.00000000
 C   -0.69897444   1.35983489   0.08251872
 C   -1.43032941   1.83667487  -1.17968492
 H   -1.41444028   1.33271931   0.92558307
 H    0.05084839   2.12637801   0.33621896
 C   -1.92064223   3.28163589  -1.00755969
 H   -0.74320657   1.77774370  -2.04405289
 H   -2.28984946   1.18525558  -1.41165188
 H   -2.53351797   3.55423588  -1.89352900
 H   -2.59452260   3.32696102  -0.13262539
 N   -0.78821524   4.18501797  -0.74404969
 H   -0.26779678   4.33229508  -1.61592413
 H   -1.14163652   5.10859173  -0.47537632
 20
 Energy -2240.610312703  Dipole 3.771456 Gradient 0.00206122
 C    0.00000000   0.00000000   0.00000000
 C    1.35365181   0.00000000   0.00000000
 S    2.75417222  -1.05142707   0.24263106
 S    2.27457101  -3.01953922  -0.20792684
 S    0.85483326  -3.47119491   1.30041667
 S   -0.82684397  -3.25362503   0.11387311
 S   -1.34323395  -1.18244523   0.07097450
 H    1.78808381   1.01149410   0.00000000
 C   -0.69990920   1.35775897   0.09661451
 C   -1.42453559   1.85540104  -1.16090201
 H   -1.42077072   1.31818965   0.93492321
 H    0.04699848   2.12057795   0.36931327
 C   -1.91880622   3.29583771  -0.96312288
 H   -0.73246862   1.81479901  -2.02237324
 H   -2.28092265   1.20609820  -1.40956405
 H   -2.52707167   3.58531819  -1.84692639
 H   -2.59773953   3.32233302  -0.09135382
 N   -0.78952935   4.19576421  -0.67460668
 H   -0.26409582   4.36128235  -1.54034275
 H   -1.14629471   5.11327694  -0.39011596
 20
 Energy -2240.611552336  Dipole 3.808988 Gradient 0.00207797
 C    0.00000000   0.00000000   0.00000000
 C    1.35380902   0.00000000   0.00000000
 S    2.75247542  -1.05192052   0.25025818
 S    2.29024351  -3.01606423  -0.23451512
 S    0.85137462  -3.50792427   1.24024193
 S   -0.81346762  -3.24741966   0.02990760
 S   -1.33834623  -1.18785709   0.08670189
 H    1.78802242   1.01161144   0.00000000
 C   -0.70129130   1.35523779   0.11005643
 C   -1.41732199   1.87372311  -1.14346529
 H   -1.42911447   1.30236565   0.94209196
 H    0.04163265   2.11425464   0.40319077
 C   -1.91638214   3.30899864  -0.92058586
 H   -0.71888434   1.85184417  -2.00043185
 H   -2.26990402   1.22675873  -1.41045835
 H   -2.51899337   3.61523217  -1.80258778
 H   -2.60195681   3.31627583  -0.05354631
 N   -0.79116501   4.20526938  -0.60538906
 H   -0.25997422   4.38955649  -1.46366346
 H   -1.15223381   5.11604022  -0.30497517
 20
 Energy -2240.612771094  Dipole 3.846372 Gradient 0.00205524
 C    0.00000000   0.00000000   0.00000000
 C    1.35394445   0.00000000   0.00000000
 S    2.75027252  -1.05288424   0.25877153
 S    2.30744926  -3.01272796  -0.26167591
 S    0.84823708  -3.54551470   1.17568572
 S   -0.79928782  -3.23898830  -0.05559895
 S   -1.33193025  -1.19488406   0.09886773
 H    1.78815721   1.01170179   0.00000000
 C   -0.70312019   1.35231887   0.12247378
 C   -1.40868453   1.89158690  -1.12780915
 H   -1.43901677   1.28606101   0.94677591
 H    0.03538994   2.10707579   0.43712875
 C   -1.91349555   3.32105012  -0.88090512
 H   -0.70255018   1.88853435  -1.97873165
 H   -2.25672352   1.24706210  -1.41436817
 H   -2.50870263   3.64384617  -1.76199768
 H   -2.60661392   3.30924862  -0.01998683
 N   -0.79333626   4.21337681  -0.53728564
 H   -0.25513954   4.41673968  -1.38699793
 H   -1.15944247   5.11691533  -0.22157697
 20
 Energy -2240.613955633  Dipole 3.883885 Gradient 0.00200377
 C    0.00000000   0.00000000   0.00000000
 C    1.35404401   0.00000000   0.00000000
 S    2.74750770  -1.05450927   0.26786868
 S    2.32609546  -3.00933384  -0.29049775
 S    0.84570313  -3.58400590   1.10570833
 S   -0.78417741  -3.22836108  -0.14302229
 S   -1.32421591  -1.20333747   0.10719525
 H    1.78850061   1.01164351   0.00000000
 C   -0.70530518   1.34908361   0.13438661
 C   -1.39873962   1.90917672  -1.11319577
 H   -1.45068678   1.26874870   0.94932635
 H    0.02766888   2.09941052   0.47160664
 C   -1.91020221   3.33228309  -0.84325715
 H   -0.68357975   1.92491338  -1.95636365
 H   -2.24145545   1.26737373  -1.42080508
 H   -2.49676949   3.67135888  -1.72397778
 H   -2.61237447   3.30125107   0.00985687
 N   -0.79611232   4.22026939  -0.46953435
 H   -0.25012844   4.44313019  -1.30919654
 H   -1.16821960   5.11592628  -0.13862742
 20
 Energy -2240.615086633  Dipole 3.921359 Gradient 0.00193350
 C    0.00000000   0.00000000   0.00000000
 C    1.35411397   0.00000000   0.00000000
 S    2.74403563  -1.05686751   0.27777409
 S    2.34596938  -3.00583120  -0.32026827
 S    0.84398089  -3.62264060   1.03151598
 S   -0.76820101  -3.21573266  -0.23077168
 S   -1.31543622  -1.21290077   0.11214043
 H    1.78917605   1.01140319   0.00000000
 C   -0.70793587   1.34557729   0.14520406
 C   -1.38760632   1.92601860  -1.10041989
 H   -1.46378181   1.25133188   0.94928462
 H    0.01883350   2.09128775   0.50544291
 C   -1.90664154   3.34232200  -0.80905025
 H   -0.66238937   1.96019205  -1.93440548
 H   -2.22429021   1.28719498  -1.42988275
 H   -2.48361223   3.69726185  -1.68986542
 H   -2.61899292   3.29240879   0.03463678
 N   -0.79979943   4.22584006  -0.40411459
 H   -0.24508762   4.46809824  -1.23273818
 H   -1.17867689   5.11317053  -0.05885956
 20
 Energy -2240.616168078  Dipole 3.958805 Gradient 0.00183643
 C    0.00000000   0.00000000   0.00000000
 C    1.35419627   0.00000000   0.00000000
 S    2.73977647  -1.06020423   0.28794290
 S    2.36665658  -3.00193391  -0.35221054
 S    0.84317344  -3.66123094   0.95193309
 S   -0.75159329  -3.20117499  -0.31934829
 S   -1.30578039  -1.22333004   0.11356204
 H    1.78984520   1.01118709   0.00000000
 C   -0.71082513   1.34192074   0.15532685
 C   -1.37567447   1.94245935  -1.08865565
 H   -1.47757424   1.23403239   0.94763759
 H    0.00907573   2.08276878   0.53858503
 C   -1.90303054   3.35157699  -0.77713326
 H   -0.63957599   1.99463418  -1.91208744
 H   -2.20565452   1.30690658  -1.44062753
 H   -2.46913473   3.72211539  -1.65852317
 H   -2.62647820   3.28312154   0.05574137
 N   -0.80445417   4.23022282  -0.34007051
 H   -0.24055576   4.49155732  -1.15646697
 H   -1.19062757   5.10890312   0.01900613
 20
 Energy -2240.617177666  Dipole 3.995228 Gradient 0.00173979
 C    0.00000000   0.00000000   0.00000000
 C    1.35424992   0.00000000   0.00000000
 S    2.73472111  -1.06446114   0.29818038
 S    2.38789620  -2.99726066  -0.38659430
 S    0.84366124  -3.69920167   0.86736122
 S   -0.73448378  -3.18469147  -0.40790095
 S   -1.29541942  -1.23441541   0.11201885
 H    1.79074065   1.01080379   0.00000000
 C   -0.71389214   1.33820654   0.16510892
 C   -1.36323484   1.95839403  -1.07733372
 H   -1.49179037   1.21670779   0.94475190
 H   -0.00103556   2.07368426   0.57123460
 C   -1.89951844   3.36007541  -0.74722781
 H   -0.61586930   2.02809422  -1.88926250
 H   -2.18593051   1.32634520  -1.45200740
 H   -2.45392734   3.74561791  -1.62963558
 H   -2.63482799   3.27372078   0.07346574
 N   -0.81032190   4.23356019  -0.27733463
 H   -0.23610363   4.51359233  -1.08035654
 H   -1.20500173   5.10335147   0.09387607
 20
 Energy -2240.618107311  Dipole 4.031922 Gradient 0.00164506
 C    0.00000000   0.00000000   0.00000000
 C    1.35428318   0.00000000   0.00000000
 S    2.72865136  -1.06972532   0.30942883
 S    2.40914556  -2.99206002  -0.42065609
 S    0.84526292  -3.73529936   0.78195635
 S   -0.71748802  -3.16684634  -0.49272042
 S   -1.28460501  -1.24573911   0.10905946
 H    1.79183214   1.01033561   0.00000000
 C   -0.71713958   1.33451484   0.17318612
 C   -1.35019747   1.97286976  -1.06849668
 H   -1.50643695   1.20047827   0.93948534
 H   -0.01188360   2.06481947   0.60121954
 C   -1.89601497   3.36719168  -0.72260239
 H   -0.59113224   2.05955973  -1.86777225
 H   -2.16469182   1.34406814  -1.46586669
 H   -2.43751657   3.76637209  -1.60691889
 H   -2.64393320   3.26453181   0.08471180
 N   -0.81722021   4.23574552  -0.22036530
 H   -0.23212023   4.53266887  -1.00921821
 H   -1.22096177   5.09712529   0.16063460
 20
 Energy -2240.619032783  Dipole 4.067605 Gradient 0.00154990
 C    0.00000000   0.00000000   0.00000000
 C    1.35434644   0.00000000   0.00000000
 S    2.72172092  -1.07616924   0.32007580
 S    2.42990168  -2.98575267  -0.45723401
 S    0.84822534  -3.76966924   0.69334635
 S   -0.70092647  -3.14769167  -0.57546653
 S   -1.27346871  -1.25733136   0.10442982
 H    1.79340076   1.00958660   0.00000000
 C   -0.72059792   1.33084517   0.18068183
 C   -1.33734783   1.98644199  -1.06025843
 H   -1.52103279   1.18476178   0.93321934
 H   -0.02310465   2.05590522   0.62987844
 C   -1.89297825   3.37353531  -0.70053098
 H   -0.56679432   2.08733353  -1.84683121
 H   -2.14389944   1.36123657  -1.47898184
 H   -2.42159637   3.78562623  -1.58675421
 H   -2.65346063   3.25526638   0.09274942
 N   -0.82538026   4.23700742  -0.16661003
 H   -0.22935905   4.54994074  -0.94107251
 H   -1.23818911   5.09007188   0.22321610
 20
 Energy -2240.619876961  Dipole 4.103017 Gradient 0.00145643
 C    0.00000000   0.00000000   0.00000000
 C    1.35437821   0.00000000   0.00000000
 S    2.71391285  -1.08365971   0.33003125
 S    2.44964780  -2.97829621  -0.49578142
 S    0.85237645  -3.80168178   0.60293587
 S   -0.68523566  -3.12749092  -0.65513004
 S   -1.26225476  -1.26888398   0.09869194
 H    1.79513445   1.00877610   0.00000000
 C   -0.72411400   1.32729726   0.18727164
 C   -1.32500848   1.99865900  -1.05314090
 H   -1.53523663   1.17007849   0.92618613
 H   -0.03441955   2.04730326   0.65620833
 C   -1.89041830   3.37889891  -0.68170564
 H   -0.54352505   2.11276319  -1.82703292
 H   -2.12353119   1.37687001  -1.49188497
 H   -2.40602718   3.80264246  -1.57008599
 H   -2.66326206   3.24637756   0.09727342
 N   -0.83457746   4.23756957  -0.11749309
 H   -0.22775293   4.56513781  -0.87727465
 H   -1.25682851   5.08272327   0.27942031
 20
 Energy -2240.620680158  Dipole 4.137717 Gradient 0.00137775
 C    0.00000000   0.00000000   0.00000000
 C    1.35443479   0.00000000   0.00000000
 S    2.70512308  -1.09235670   0.33967747
 S    2.46775219  -2.97019110  -0.53437165
 S    0.85710066  -3.83089729   0.51377311
 S   -0.67108278  -3.10692627  -0.72948861
 S   -1.25110537  -1.28012988   0.09291462
 H    1.79700527   1.00785589   0.00000000
 C   -0.72762116   1.32396337   0.19211037
 C   -1.31295017   2.00903988  -1.04842440
 H   -1.54889895   1.15695124   0.91759703
 H   -0.04569192   2.03945227   0.67900693
 C   -1.88817097   3.38292130  -0.66801812
 H   -0.52077010   2.13537108  -1.80944880
 H   -2.10297974   1.39015816  -1.50627480
 H   -2.39078207   3.81665043  -1.55904513
 H   -2.67302568   3.23806190   0.09657199
 N   -0.84430407   4.23738503  -0.07578797
 H   -0.22704279   4.57771721  -0.82150015
 H   -1.27579597   5.07541926   0.32619956
 20
 Energy -2240.621438299  Dipole 4.170993 Gradient 0.00130126
 C    0.00000000   0.00000000   0.00000000
 C    1.35446746   0.00000000   0.00000000
 S    2.69587902  -1.10174070   0.34812393
 S    2.48438317  -2.96068657  -0.57424181
 S    0.86288003  -3.85725036   0.42509523
 S   -0.65833975  -3.08612783  -0.79921030
 S   -1.23985131  -1.29121488   0.08745101
 H    1.79909230   1.00683925   0.00000000
 C   -0.73116246   1.32074984   0.19613838
 C   -1.30187555   2.01779570  -1.04474372
 H   -1.56185135   1.14495492   0.90880350
 H   -0.05670321   2.03210385   0.69917829
 C   -1.88676012   3.38578616  -0.65747926
 H   -0.49974810   2.15461380  -1.79344024
 H   -2.08363943   1.40140560  -1.51984292
 H   -2.37711462   3.82805320  -1.55112802
 H   -2.68275994   3.22989996   0.09330437
 N   -0.85489903   4.23665850  -0.03963131
 H   -0.22787214   4.58819186  -0.77179450
 H   -1.29546314   5.06823129   0.36594807
 20
 Energy -2240.622157191  Dipole 4.203244 Gradient 0.00123843
 C    0.00000000   0.00000000   0.00000000
 C    1.35449065   0.00000000   0.00000000
 S    2.68609565  -1.11201616   0.35489700
 S    2.49924853  -2.94957163  -0.61662533
 S    0.86917042  -3.88073974   0.33534255
 S   -0.64747556  -3.06473043  -0.86600967
 S   -1.22891815  -1.30190666   0.08162327
 H    1.80121500   1.00575652   0.00000000
 C   -0.73459140   1.31764951   0.19989665
 C   -1.29182178   2.02554679  -1.04117067
 H   -1.57363778   1.13367164   0.90057836
 H   -0.06717487   2.02519637   0.71753023
 C   -1.88586862   3.38808825  -0.64829845
 H   -0.48062909   2.17189464  -1.77832099
 H   -2.06557835   1.41156184  -1.53218812
 H   -2.36451063   3.83796194  -1.54452557
 H   -2.69230591   3.22232909   0.08909644
 N   -0.86582588   4.23569098  -0.00684369
 H   -0.22969264   4.59731453  -0.72619371
 H   -1.31503637   5.06130864   0.40135975
 20
 Energy -2240.622858258  Dipole 4.233828 Gradient 0.00118273
 C    0.00000000   0.00000000   0.00000000
 C    1.35453632   0.00000000   0.00000000
 S    2.67575339  -1.12302345   0.36072771
 S    2.51213835  -2.93761280  -0.65881829
 S    0.87551094  -3.90115345   0.24829409
 S   -0.63866513  -3.04361026  -0.92745089
 S   -1.21840711  -1.31203679   0.07653914
 H    1.80363986   1.00455134   0.00000000
 C   -0.73777111   1.31491012   0.20225412
 C   -1.28255664   2.03144602  -1.03965519
 H   -1.58439826   1.12407666   0.89189640
 H   -0.07697985   2.01939376   0.73241300
 C   -1.88536717   3.38930391  -0.64350468
 H   -0.46303561   2.18576340  -1.76579258
 H   -2.04870798   1.41907445  -1.54451288
 H   -2.35290675   3.84527486  -1.54252456
 H   -2.70137138   3.21539609   0.08138014
 N   -0.87671926   4.23447803   0.01881125
 H   -0.23224310   4.60444973  -0.68869558
 H   -1.33412313   5.05503875   0.42812142
 20
 Energy -2240.62352833  Dipole 4.262370 Gradient 0.00113240
 C    0.00000000   0.00000000   0.00000000
 C    1.35455781   0.00000000   0.00000000
 S    2.66532985  -1.13420532   0.36518210
 S    2.52358677  -2.92429563  -0.70137991
 S    0.88243639  -3.91863034   0.16321378
 S   -0.63124843  -3.02275367  -0.98458195
 S   -1.20805861  -1.32189863   0.07206199
 H    1.80594296   1.00334869   0.00000000
 C   -0.74093191   1.31230370   0.20365112
 C   -1.27428629   2.03568106  -1.03951630
 H   -1.59448827   1.11555795   0.88294201
 H   -0.08650886   2.01446033   0.74469796
 C   -1.88577825   3.38924347  -0.64176430
 H   -0.44713798   2.19713087  -1.75540536
 H   -2.03282474   1.42418525  -1.55680241
 H   -2.34317474   3.84976157  -1.54369648
 H   -2.71045435   3.20821591   0.07142887
 N   -0.88822454   4.23299349   0.03886923
 H   -0.23614830   4.60998959  -0.65794914
 H   -1.35342433   5.04921034   0.44807084
 20
 Energy -2240.624166696  Dipole 4.288531 Gradient 0.00108869
 C    0.00000000   0.00000000   0.00000000
 C    1.35456735   0.00000000   0.00000000
 S    2.65476135  -1.14582269   0.36817537
 S    2.53305566  -2.91012555  -0.74403843
 S    0.88905162  -3.93343866   0.08042973
 S   -0.62582616  -3.00213023  -1.03739197
 S   -1.19813442  -1.33123441   0.06840831
 H    1.80845503   1.00207834   0.00000000
 C   -0.74409644   1.30986955   0.20408971
 C   -1.26678387   2.03854012  -1.04063874
 H   -1.60399883   1.10792264   0.87375079
 H   -0.09582887   2.01025961   0.75476155
 C   -1.88661772   3.38833482  -0.64289123
 H   -0.43264468   2.20605888  -1.74699264
 H   -2.01786492   1.42752173  -1.56933420
 H   -2.33491449   3.85197896  -1.54780353
 H   -2.71897454   3.20130570   0.05975263
 N   -0.89962401   4.23160649   0.05350977
 H   -0.24075732   4.61427236  -0.63369711
 H   -1.37212398   5.04421372   0.46152180
 20
 Energy -2240.624783296  Dipole 4.312548 Gradient 0.00104970
 C    0.00000000   0.00000000   0.00000000
 C    1.35460076   0.00000000   0.00000000
 S    2.64419309  -1.15749482   0.37043841
 S    2.54120931  -2.89538409  -0.78538488
 S    0.89556926  -3.94565365   0.00129080
 S   -0.62187089  -2.98231652  -1.08561470
 S   -1.18849474  -1.34022005   0.06554958
 H    1.81094733   1.00077451   0.00000000
 C   -0.74699109   1.30775989   0.20314819
 C   -1.26005801   2.03949400  -1.04419146
 H   -1.61254755   1.10208679   0.86423429
 H   -0.10422277   2.00732231   0.76126826
 C   -1.88778816   3.38629114  -0.64843796
 H   -0.41956491   2.21139782  -1.74188998
 H   -2.00437833   1.42783195  -1.58157979
 H   -2.32770061   3.85148389  -1.55669452
 H   -2.72713276   3.19450170   0.04450537
 N   -0.91100309   4.23026668   0.06128256
 H   -0.24594669   4.61732825  -0.61750778
 H   -1.39046906   5.04002022   0.46683603
 20
 Energy -2240.625381731  Dipole 4.333367 Gradient 0.00101251
 C    0.00000000   0.00000000   0.00000000
 C    1.35459451   0.00000000   0.00000000
 S    2.63382599  -1.16897780   0.37125533
 S    2.54809599  -2.87979732  -0.82639544
 S    0.90199924  -3.95533942  -0.07523038
 S   -0.61948944  -2.96298404  -1.12988544
 S   -1.17916567  -1.34878923   0.06389725
 H    1.81339407   0.99950903   0.00000000
 C   -0.74956624   1.30599036   0.20164910
 C   -1.25479564   2.03880608  -1.04851332
 H   -1.61961409   1.09739364   0.85577443
 H   -0.11144286   2.00544465   0.76523168
 C   -1.88974709   3.38329650  -0.65634847
 H   -0.40910509   2.21387465  -1.73910741
 H   -1.99301771   1.42581879  -1.59279532
 H   -2.32219968   3.84862685  -1.56812813
 H   -2.73520931   3.18797199   0.02808523
 N   -0.92243567   4.22896769   0.06414295
 H   -0.25208452   4.61933427  -0.60744820
 H   -1.40834784   5.03649242   0.46645694
 20
 Energy -2240.62594994  Dipole 4.352695 Gradient 0.00097587
 C    0.00000000   0.00000000   0.00000000
 C    1.35457546   0.00000000   0.00000000
 S    2.62362175  -1.18057061   0.37043805
 S    2.55366795  -2.86325062  -0.86804854
 S    0.90805189  -3.96291968  -0.15103532
 S   -0.61843197  -2.94346932  -1.17218825
 S   -1.17012105  -1.35706716   0.06243326
 H    1.81586282   0.99818724   0.00000000
 C   -0.75212981   1.30418811   0.19988323
 C   -1.25059374   2.03725129  -1.05308200
 H   -1.62614433   1.09304110   0.84777137
 H   -0.11857244   2.00407807   0.76806209
 C   -1.89264984   3.37956349  -0.66486960
 H   -0.40038188   2.21626575  -1.73715178
 H   -1.98275952   1.42250693  -1.60354756
 H   -2.31881215   3.84417743  -1.57999604
 H   -2.74323527   3.18130625   0.01230051
 N   -0.93384183   4.22752934   0.06410040
 H   -0.25904759   4.62011587  -0.60174473
 H   -1.42515459   5.03338547   0.46316166
 20
 Energy -2240.626504391  Dipole 4.368059 Gradient 0.00094013
 C    0.00000000   0.00000000   0.00000000
 C    1.35455702   0.00000000   0.00000000
 S    2.61377546  -1.19164371   0.36946089
 S    2.55841472  -2.84654465  -0.90711196
 S    0.91398652  -3.96849408  -0.22206873
 S   -0.61816613  -2.92498996  -1.21001685
 S   -1.16125833  -1.36510526   0.06213286
 H    1.81827155   0.99691582   0.00000000
 C   -0.75442967   1.30277967   0.19654945
 C   -1.24750355   2.03359912  -1.06014133
 H   -1.63161455   1.09031593   0.83960882
 H   -0.12465658   2.00420927   0.76700295
 C   -1.89620300   3.37438420  -0.67802526
 H   -0.39336076   2.21359165  -1.73901508
 H   -1.97426999   1.41591205  -1.61446871
 H   -2.31697720   3.83649814  -1.59693062
 H   -2.75126386   3.17432293  -0.00704007
 N   -0.94553592   4.22616472   0.05703424
 H   -0.26654158   4.61943452  -0.60414127
 H   -1.44231778   5.03154248   0.45027235
 20
 Energy -2240.627046351  Dipole 4.381163 Gradient 0.00090702
 C    0.00000000   0.00000000   0.00000000
 C    1.35449864   0.00000000   0.00000000
 S    2.60428032  -1.20270694   0.36651795
 S    2.56236383  -2.82845991  -0.94791746
 S    0.91959842  -3.97188416  -0.29447361
 S   -0.61870318  -2.90577041  -1.24814500
 S   -1.15267093  -1.37290564   0.06079243
 H    1.82056735   0.99566164   0.00000000
 C   -0.75688728   1.30125786   0.19370924
 C   -1.24530128   2.02936395  -1.06665484
 H   -1.63651419   1.08769234   0.83287265
 H   -0.13030093   2.00432109   0.76569349
 C   -1.90019262   3.36890755  -0.69089308
 H   -0.38779667   2.21031753  -1.74103645
 H   -1.96720927   1.40863903  -1.62394346
 H   -2.31588708   3.82822808  -1.61352517
 H   -2.75938349   3.16737484  -0.02566793
 N   -0.95737611   4.22476097   0.04945326
 H   -0.27429421   4.61823452  -0.60740505
 H   -1.45933538   5.02986723   0.43667014
 20
 Energy -2240.627559171  Dipole 4.392970 Gradient 0.00087441
 C    0.00000000   0.00000000   0.00000000
 C    1.35447789   0.00000000   0.00000000
 S    2.59494603  -1.21353917   0.36341932
 S    2.56516261  -2.81060592  -0.98647238
 S    0.92431064  -3.97370194  -0.36283110
 S   -0.62032390  -2.88713145  -1.28272379
 S   -1.14453321  -1.38024946   0.06047057
 H    1.82296496   0.99439437   0.00000000
 C   -0.75923099   1.29996928   0.18962657
 C   -1.24342025   2.02370590  -1.07516285
 H   -1.64131516   1.08576812   0.82504970
 H   -0.13601726   2.00552191   0.76223998
 C   -1.90433531   3.36245926  -0.70731215
 H   -0.38291565   2.20522033  -1.74553218
 H   -1.96045610   1.39917851  -1.63455019
 H   -2.31573385   3.81757272  -1.63397713
 H   -2.76698649   3.16052843  -0.04670905
 N   -0.96857106   4.22341016   0.03595406
 H   -0.28246069   4.61654886  -0.61792673
 H   -1.47515008   5.02839505   0.41733434
 20
 Energy -2240.628054952  Dipole 4.402092 Gradient 0.00083992
 C    0.00000000   0.00000000   0.00000000
 C    1.35442354   0.00000000   0.00000000
 S    2.58618398  -1.22380126   0.35947186
 S    2.56693636  -2.79230032  -1.02372790
 S    0.92846756  -3.97401287  -0.42823425
 S   -0.62286411  -2.86885624  -1.31428572
 S   -1.13659220  -1.38728201   0.06117197
 H    1.82520405   0.99317271   0.00000000
 C   -0.76127470   1.29890902   0.18482735
 C   -1.24238042   2.01679711  -1.08471317
 H   -1.64517009   1.08515234   0.81775490
 H   -0.14066531   2.00750414   0.75652032
 C   -1.90900580   3.35505313  -0.72578715
 H   -0.37942393   2.19787450  -1.75205643
 H   -1.95504460   1.38772008  -1.64465182
 H   -2.31716684   3.80469698  -1.65656000
 H   -2.77434702   3.15338298  -0.06865299
 N   -0.97967704   4.22220975   0.01824588
 H   -0.29139678   4.61444107  -0.63391725
 H   -1.49068747   5.02740925   0.39323603
 20
 Energy -2240.628529097  Dipole 4.408676 Gradient 0.00081342
 C    0.00000000   0.00000000   0.00000000
 C    1.35435801   0.00000000   0.00000000
 S    2.57781414  -1.23373942   0.35446907
 S    2.56805399  -2.77346643  -1.06112909
 S    0.93216997  -3.97255365  -0.49339215
 S   -0.62605447  -2.85025566  -1.34534439
 S   -1.12886678  -1.39415279   0.06138505
 H    1.82728741   0.99205141   0.00000000
 C   -0.76317523   1.29793107   0.17978018
 C   -1.24191070   2.00928352  -1.09460783
 H   -1.64831747   1.08499176   0.81107296
 H   -0.14475176   2.00985607   0.74974143
 C   -1.91399481   3.34716760  -0.74483044
 H   -0.37699074   2.18979068  -1.75954639
 H   -1.95057907   1.37549409  -1.65428513
 H   -2.31959899   3.79085409  -1.67961535
 H   -2.78153106   3.14604809  -0.09041868
 N   -0.99062205   4.22092632  -0.00123937
 H   -0.30039990   4.61156385  -0.65228901
 H   -1.50562928   5.02671107   0.36693064
 20
 Energy -2240.628982167  Dipole 4.413272 Gradient 0.00077233
 C    0.00000000   0.00000000   0.00000000
 C    1.35429494   0.00000000   0.00000000
 S    2.56967347  -1.24340232   0.34932610
 S    2.56845754  -2.75497486  -1.09666576
 S    0.93513251  -3.96987786  -0.55530121
 S   -0.62997129  -2.83212946  -1.37391084
 S   -1.12145059  -1.40073670   0.06229514
 H    1.82940736   0.99086537   0.00000000
 C   -0.76500252   1.29710890   0.17396274
 C   -1.24214579   2.00034326  -1.10577463
 H   -1.65107645   1.08551594   0.80424920
 H   -0.14850847   2.01301457   0.74102275
 C   -1.91938805   3.33824610  -0.76650046
 H   -0.37559569   2.17925666  -1.76904515
 H   -1.94711959   1.36105877  -1.66393871
 H   -2.32289822   3.77476776  -1.70556539
 H   -2.78873049   3.13852943  -0.11408014
 N   -1.00145954   4.21943312  -0.02503328
 H   -0.30971058   4.60770514  -0.67590472
 H   -1.52022712   5.02619969   0.33568160
 20
 Energy -2240.629415654  Dipole 4.415478 Gradient 0.00073924
 C    0.00000000   0.00000000   0.00000000
 C    1.35420416   0.00000000   0.00000000
 S    2.56208618  -1.25257544   0.34325480
 S    2.56819194  -2.73592846  -1.13173519
 S    0.93763142  -3.96598827  -0.61566496
 S   -0.63437348  -2.81414583  -1.40107600
 S   -1.11423808  -1.40708997   0.06317272
 H    1.83143961   0.98974511   0.00000000
 C   -0.76676575   1.29630619   0.16793455
 C   -1.24367488   1.99012818  -1.11727511
 H   -1.65315114   1.08653749   0.79825814
 H   -0.15173565   2.01670234   0.73090133
 C   -1.92592657   3.32817487  -0.78917309
 H   -0.37626191   2.16715348  -1.77992177
 H   -1.94537382   1.34476670  -1.67256980
 H   -2.32822509   3.75662145  -1.73250615
 H   -2.79644911   3.13038629  -0.13773629
 N   -1.01286662   4.21757731  -0.05160122
 H   -0.32021171   4.60287949  -0.70326241
 H   -1.53508155   5.02558883   0.30125830
 20
 Energy -2240.629861265  Dipole 4.420875 Gradient 0.00070613
 C    0.00000000   0.00000000   0.00000000
 C    1.35401413   0.00000000   0.00000000
 S    2.55396171  -1.26151238   0.33840464
 S    2.57069591  -2.71703843  -1.16259771
 S    0.94076043  -3.96182192  -0.66956096
 S   -0.63785111  -2.79824510  -1.42386894
 S   -1.10688469  -1.41332694   0.06548931
 H    1.83345633   0.98853533   0.00000000
 C   -0.76853274   1.29557608   0.16020948
 C   -1.24533326   1.97778258  -1.13144106
 H   -1.65517488   1.08843211   0.79091316
 H   -0.15529428   2.02141894   0.71810380
 C   -1.93270116   3.31622632  -0.81656031
 H   -0.37701512   2.15195549  -1.79367568
 H   -1.94341321   1.32527361  -1.68295001
 H   -2.33444724   3.73475059  -1.76458620
 H   -2.80394085   3.12135509  -0.16521512
 N   -1.02414410   4.21522906  -0.08518523
 H   -0.33095135   4.59631785  -0.73876445
 H   -1.54962278   5.02505486   0.25856796
 20
 Energy -2240.630226301  Dipole 4.417803 Gradient 0.00068425
 C    0.00000000   0.00000000   0.00000000
 C    1.35399686   0.00000000   0.00000000
 S    2.54725138  -1.27000887   0.33179328
 S    2.57010437  -2.69750900  -1.19654137
 S    0.94354241  -3.95504931  -0.72855854
 S   -0.64193130  -2.77986659  -1.44963105
 S   -1.09993593  -1.41933640   0.06587745
 H    1.83536330   0.98751720   0.00000000
 C   -0.76995726   1.29492217   0.15436119
 C   -1.24784443   1.96670846  -1.14255146
 H   -1.65573043   1.09075218   0.78706915
 H   -0.15677732   2.02546109   0.70620231
 C   -1.93971380   3.30536910  -0.83914857
 H   -0.37926422   2.13848405  -1.80508190
 H   -1.94315932   1.30783195  -1.68998070
 H   -2.34152465   3.71487765  -1.79110086
 H   -2.81119592   3.11303795  -0.18738046
 N   -1.03492146   4.21310178  -0.11400310
 H   -0.34174032   4.59054478  -0.76970647
 H   -1.56324840   5.02436436   0.22190886
 20
 Energy -2240.630598199  Dipole 4.409936 Gradient 0.00064999
 C    0.00000000   0.00000000   0.00000000
 C    1.35391345   0.00000000   0.00000000
 S    2.54172949  -1.27744936   0.32368665
 S    2.56481871  -2.67930107  -1.22952952
 S    0.94280470  -3.94795721  -0.78373929
 S   -0.64973228  -2.76188291  -1.47236154
 S   -1.09391531  -1.42479036   0.06777888
 H    1.83647769   0.98680094   0.00000000
 C   -0.77127891   1.29454607   0.14754721
 C   -1.25328175   1.95363566  -1.15464068
 H   -1.65529624   1.09337259   0.78355935
 H   -0.15781548   2.03078404   0.69144525
 C   -1.94867475   3.29313042  -0.86340440
 H   -0.38620365   2.12123727  -1.82020603
 H   -1.94783263   1.28765115  -1.69445877
 H   -2.35242240   3.69207098  -1.81904572
 H   -2.81911595   3.10459072  -0.20914279
 N   -1.04604779   4.21058055  -0.14789490
 H   -0.35420185   4.58325776  -0.80773774
 H   -1.57650784   5.02377453   0.17992175
 20
 Energy -2240.630966992  Dipole 4.405224 Gradient 0.00061549
 C    0.00000000   0.00000000   0.00000000
 C    1.35377797   0.00000000   0.00000000
 S    2.53592241  -1.28508948   0.31507166
 S    2.56083568  -2.66091035  -1.26068597
 S    0.94083057  -3.94078852  -0.83494189
 S   -0.65804858  -2.74518033  -1.49266661
 S   -1.08793638  -1.43003953   0.07026404
 H    1.83856299   0.98568435   0.00000000
 C   -0.77288177   1.29376349   0.13996514
 C   -1.25970252   1.93842150  -1.16789620
 H   -1.65482435   1.09622990   0.77990472
 H   -0.15929382   2.03650823   0.67482675
 C   -1.95878114   3.27866598  -0.88991461
 H   -0.39447474   2.10161249  -1.83695642
 H   -1.95319696   1.26455874  -1.69922526
 H   -2.36576393   3.66555286  -1.84915178
 H   -2.82731145   3.09458652  -0.23186273
 N   -1.05777040   4.20697078  -0.18661786
 H   -0.36820782   4.57412961  -0.85192374
 H   -1.59014180   5.02229308   0.13271015
 20
 Energy -2240.631290828  Dipole 4.394930 Gradient 0.00058031
 C    0.00000000   0.00000000   0.00000000
 C    1.35365263   0.00000000   0.00000000
 S    2.53042838  -1.29236710   0.30647724
 S    2.55604121  -2.64234142  -1.29169672
 S    0.93921163  -3.93211055  -0.88570271
 S   -0.66609180  -2.72809230  -1.51271874
 S   -1.08238325  -1.43485674   0.07219668
 H    1.84005859   0.98478895   0.00000000
 C   -0.77411122   1.29334737   0.13254191
 C   -1.26654043   1.92291429  -1.18070722
 H   -1.65330413   1.10033446   0.77749192
 H   -0.15958163   2.04246139   0.65735804
 C   -1.96950380   3.26371020  -0.91615742
 H   -0.40343469   2.08146304  -1.85362745
 H   -1.95899634   1.24088275  -1.70292032
 H   -2.38043659   3.63799999  -1.87874046
 H   -2.83561769   3.08419295  -0.25366153
 N   -1.06985165   4.20318487  -0.22613243
 H   -0.38274293   4.56410249  -0.89737536
 H   -1.60404311   5.02084901   0.08405603
 20
 Energy -2240.631631207  Dipole 4.384242 Gradient 0.00055155
 C    0.00000000   0.00000000   0.00000000
 C    1.35355629   0.00000000   0.00000000
 S    2.52488525  -1.29964158   0.29783867
 S    2.55091392  -2.62401561  -1.32162757
 S    0.93673950  -3.92303877  -0.93423133
 S   -0.67477103  -2.71148475  -1.53130360
 S   -1.07718677  -1.43955812   0.07439103
 H    1.84167849   0.98384578   0.00000000
 C   -0.77545060   1.29282378   0.12489886
 C   -1.27505155   1.90614777  -1.19347147
 H   -1.65120060   1.10442926   0.77578628
 H   -0.15972947   2.04869550   0.63856835
 C   -1.98164351   3.24754340  -0.94273796
 H   -0.41497782   2.05949180  -1.87146244
 H   -1.96702756   1.21560951  -1.70503080
 H   -2.39730892   3.60835777  -1.90844658
 H   -2.84476284   3.07327534  -0.27495159
 N   -1.08280321   4.19853650  -0.26774422
 H   -0.39851989   4.55228165  -0.94567465
 H   -1.61843756   5.01886542   0.03282776
 20
 Energy -2240.631939094  Dipole 4.371054 Gradient 0.00052942
 C    0.00000000   0.00000000   0.00000000
 C    1.35340334   0.00000000   0.00000000
 S    2.52042490  -1.30589092   0.28912047
 S    2.54584149  -2.60568612  -1.35031333
 S    0.93400579  -3.91305164  -0.98123093
 S   -0.68340980  -2.69493885  -1.54871121
 S   -1.07185921  -1.44403589   0.07686505
 H    1.84299410   0.98305705   0.00000000
 C   -0.77679079   1.29222271   0.11715958
 C   -1.28450492   1.88847307  -1.20610056
 H   -1.64860209   1.10889661   0.77466665
 H   -0.15957657   2.05504466   0.61863598
 C   -1.99491167   3.23023230  -0.96937185
 H   -0.42779700   2.03655088  -1.88950085
 H   -1.97603123   1.18918606  -1.70625877
 H   -2.41628377   3.57683495  -1.93783496
 H   -2.85435864   3.06152930  -0.29544543
 N   -1.09654117   4.19327062  -0.31101669
 H   -0.41608256   4.53969913  -0.99655506
 H   -1.63389107   5.01601421  -0.02021137
 20
 Energy -2240.632225859  Dipole 4.356834 Gradient 0.00049634
 C    0.00000000   0.00000000   0.00000000
 C    1.35326607   0.00000000   0.00000000
 S    2.51627698  -1.31175051   0.27960914
 S    2.54016008  -2.58727535  -1.37886154
 S    0.93040713  -3.90237770  -1.02767378
 S   -0.69262167  -2.67770486  -1.56605332
 S   -1.06689116  -1.44830407   0.07907497
 H    1.84390775   0.98243485   0.00000000
 C   -0.77804859   1.29164785   0.10943488
 C   -1.29403908   1.87074125  -1.21839368
 H   -1.64598649   1.11348518   0.77341565
 H   -0.15950484   2.06125366   0.59875529
 C   -2.00823865   3.21268380  -0.99552761
 H   -0.44098634   2.01335370  -1.90749883
 H   -1.98521095   1.16278232  -1.70671813
 H   -2.43613678   3.54461737  -1.96628964
 H   -2.86341250   3.04981984  -0.31474551
 N   -1.10993334   4.18774233  -0.35515848
 H   -0.43377852   4.52631438  -1.04884352
 H   -1.64854756   5.01297725  -0.07389098
 20
 Energy -2240.632488115  Dipole 4.341181 Gradient 0.00046872
 C    0.00000000   0.00000000   0.00000000
 C    1.35312953   0.00000000   0.00000000
 S    2.51187347  -1.31785543   0.27048065
 S    2.53400147  -2.56943300  -1.40620534
 S    0.92618019  -3.89155800  -1.07233173
 S   -0.70203830  -2.66114489  -1.58221461
 S   -1.06215028  -1.45247885   0.08131996
 H    1.84549058   0.98153542   0.00000000
 C   -0.77944279   1.29093216   0.10149981
 C   -1.30440894   1.85204887  -1.23069530
 H   -1.64322623   1.11816721   0.77220241
 H   -0.15939858   2.06744090   0.57784635
 C   -2.02258531   3.19395901  -1.02182793
 H   -0.45557426   1.98954726  -1.92605670
 H   -1.99526516   1.13521738  -1.70633848
 H   -2.45787456   3.51060967  -1.99443453
 H   -2.87282635   3.03741925  -0.33342816
 N   -1.12388885   4.18118803  -0.40096078
 H   -0.45245190   4.51106322  -1.10339008
 H   -1.66349394   5.00910115  -0.12957922
 20
 Energy -2240.632753286  Dipole 4.324066 Gradient 0.00043904
 C    0.00000000   0.00000000   0.00000000
 C    1.35298916   0.00000000   0.00000000
 S    2.50781920  -1.32348557   0.26119732
 S    2.52794667  -2.55124516  -1.43303645
 S    0.92202978  -3.87998388  -1.11604381
 S   -0.71141808  -2.64462614  -1.59780084
 S   -1.05750093  -1.45647528   0.08343080
 H    1.84679011   0.98074463   0.00000000
 C   -0.78072240   1.29026291   0.09374730
 C   -1.31604541   1.83265076  -1.24223231
 H   -1.63930199   1.12363732   0.77259285
 H   -0.15869652   2.07369873   0.55600782
 C   -2.03770160   3.17460936  -1.04756478
 H   -0.47186621   1.96267002  -1.94463997
 H   -2.00729831   1.10698800  -1.70369678
 H   -2.48099561   3.47541123  -2.02159148
 H   -2.88257995   3.02473996  -0.35107417
 N   -1.13854455   4.17397267  -0.44730581
 H   -0.47228386   4.49490398  -1.15875530
 H   -1.67919675   5.00442688  -0.18589168
 20
 Energy -2240.632991014  Dipole 4.306488 Gradient 0.00041299
 C    0.00000000   0.00000000   0.00000000
 C    1.35286048   0.00000000   0.00000000
 S    2.50390723  -1.32905146   0.25184404
 S    2.52149828  -2.53317337  -1.45927396
 S    0.91726416  -3.86792485  -1.15887459
 S   -0.72113697  -2.62797211  -1.61292646
 S   -1.05315663  -1.46031897   0.08536878
 H    1.84793588   0.98004671   0.00000000
 C   -0.78188428   1.28960697   0.08602137
 C   -1.32808693   1.81286662  -1.25331886
 H   -1.63521427   1.12968557   0.77301874
 H   -0.15765501   2.07981597   0.53356084
 C   -2.05279522   3.15499525  -1.07288625
 H   -0.48911010   1.93548837  -1.96324295
 H   -2.02009075   1.07866111  -1.69991167
 H   -2.50447477   3.43969612  -2.04793014
 H   -2.89198545   3.01267827  -0.36798262
 N   -1.15262005   4.16614458  -0.49437827
 H   -0.49202819   4.47759996  -1.21527993
 H   -1.69394483   4.99914103  -0.24259277
 20
 Energy -2240.633208433  Dipole 4.287077 Gradient 0.00038569
 C    0.00000000   0.00000000   0.00000000
 C    1.35276932   0.00000000   0.00000000
 S    2.50013093  -1.33429390   0.24265529
 S    2.51516801  -2.51514212  -1.48469408
 S    0.91236817  -3.85545485  -1.20073400
 S   -0.73061807  -2.61133600  -1.62747213
 S   -1.04868939  -1.46402343   0.08720790
 H    1.84916414   0.97932696   0.00000000
 C   -0.78303918   1.28897367   0.07819828
 C   -1.34047378   1.79279856  -1.26413852
 H   -1.63053220   1.13580593   0.77385522
 H   -0.15587312   2.08539542   0.51037858
 C   -2.06836837   3.13482050  -1.09778540
 H   -0.50689832   1.90805618  -1.98160685
 H   -2.03300920   1.05004437  -1.69552065
 H   -2.52902330   3.40326606  -2.07326915
 H   -2.90112470   3.00031349  -0.38377379
 N   -1.16676897   4.15749253  -0.54229103
 H   -0.51230594   4.45871592  -1.27307355
 H   -1.70850930   4.99319401  -0.30052405
 20
 Energy -2240.633404013  Dipole 4.268359 Gradient 0.00035608
 C    0.00000000   0.00000000   0.00000000
 C    1.35258856   0.00000000   0.00000000
 S    2.49640696  -1.33941665   0.23295986
 S    2.50808795  -2.49707462  -1.51058704
 S    0.90658366  -3.84251361  -1.24250166
 S   -0.74063831  -2.59429431  -1.64217144
 S   -1.04453224  -1.46764057   0.08869138
 H    1.85020864   0.97863233   0.00000000
 C   -0.78436513   1.28810957   0.07083534
 C   -1.35429844   1.77230480  -1.27358722
 H   -1.62553608   1.14156648   0.77551421
 H   -0.15558530   2.09169880   0.48717772
 C   -2.08454737   3.11446738  -1.12089170
 H   -0.52703591   1.87929340  -1.99957019
 H   -2.04834066   1.02158468  -1.68847236
 H   -2.55506596   3.36654913  -2.09606737
 H   -2.91027814   2.98860914  -0.39719351
 N   -1.18082392   4.14806467  -0.58965639
 H   -0.53308315   4.43848768  -1.33075267
 H   -1.72248372   4.98653700  -0.35738901
 20
 Energy -2240.633603101  Dipole 4.252957 Gradient 0.00032509
 C    0.00000000   0.00000000   0.00000000
 C    1.35244430   0.00000000   0.00000000
 S    2.49291288  -1.34441841   0.22333638
 S    2.50084765  -2.47880879  -1.53519547
 S    0.90056481  -3.82880978  -1.28290266
 S   -0.75084103  -2.57727177  -1.65585420
 S   -1.04037654  -1.47114555   0.09054215
 H    1.85134175   0.97791534   0.00000000
 C   -0.78578087   1.28715456   0.06353146
 C   -1.36888516   1.75168306  -1.28229548
 H   -1.62020315   1.14758789   0.77758076
 H   -0.15457197   2.09716384   0.46353193
 C   -2.10122513   3.09393896  -1.14242441
 H   -0.54843363   1.85054908  -2.01712533
 H   -2.06445506   0.99331961  -1.68035594
 H   -2.58351546   3.32938401  -2.11601691
 H   -2.91842071   2.97745455  -0.40756099
 N   -1.19429658   4.13795786  -0.63792372
 H   -0.55728369   4.41988020  -1.39146798
 H   -1.73557579   4.97790925  -0.41026787
 20
 Energy -2240.633771982  Dipole 4.232287 Gradient 0.00029693
 C    0.00000000   0.00000000   0.00000000
 C    1.35230433   0.00000000   0.00000000
 S    2.48926670  -1.34940028   0.21403878
 S    2.49392233  -2.46061335  -1.55915328
 S    0.89428535  -3.81443463  -1.32336715
 S   -0.76093040  -2.55978505  -1.66967793
 S   -1.03626953  -1.47462610   0.09206339
 H    1.85242815   0.97723187   0.00000000
 C   -0.78725547   1.28614566   0.05668692
 C   -1.38330459   1.73141627  -1.29012254
 H   -1.61517001   1.15313896   0.77949479
 H   -0.15421566   2.10246225   0.44064591
 C   -2.11739633   3.07379890  -1.16319752
 H   -0.56956102   1.82165687  -2.03348963
 H   -2.08048216   0.96588181  -1.67121840
 H   -2.61098275   3.29266222  -2.13502786
 H   -2.92613668   2.96720374  -0.41754275
 N   -1.20738756   4.12760717  -0.68540956
 H   -0.57794896   4.39730828  -1.44973486
 H   -1.74785223   4.97062205  -0.46725183
 20
 Energy -2240.633922152  Dipole 4.208393 Gradient 0.00026712
 C    0.00000000   0.00000000   0.00000000
 C    1.35216413   0.00000000   0.00000000
 S    2.48580141  -1.35412245   0.20479795
 S    2.48682902  -2.44322589  -1.58225034
 S    0.88768651  -3.80048383  -1.36221221
 S   -0.77092535  -2.54279735  -1.68273905
 S   -1.03213503  -1.47808510   0.09350169
 H    1.85376143   0.97639639   0.00000000
 C   -0.78883835   1.28508752   0.04914273
 C   -1.39711593   1.71042714  -1.29876851
 H   -1.61047673   1.15930317   0.78033462
 H   -0.15411075   2.10747425   0.41711613
 C   -2.13294994   3.05292263  -1.18614974
 H   -0.58990164   1.79130659  -2.05029423
 H   -2.09573634   0.93788177  -1.66267144
 H   -2.63624764   3.25485834  -2.15670077
 H   -2.93415660   2.95699503  -0.43109893
 N   -1.22030738   4.11600505  -0.73471007
 H   -0.59606409   4.37074166  -1.50840139
 H   -1.75970413   4.96307702  -0.52991852
 20
 Energy -2240.634052735  Dipole 4.188383 Gradient 0.00023532
 C    0.00000000   0.00000000   0.00000000
 C    1.35204422   0.00000000   0.00000000
 S    2.48270322  -1.35853460   0.19470359
 S    2.47945684  -2.42458999  -1.60621733
 S    0.88100151  -3.78523346  -1.40200558
 S   -0.78109399  -2.52515333  -1.69591291
 S   -1.02794985  -1.48150246   0.09482279
 H    1.85449588   0.97593296   0.00000000
 C   -0.79019975   1.28408161   0.04219384
 C   -1.41103612   1.68986107  -1.30617480
 H   -1.60516312   1.16593212   0.78208106
 H   -0.15341054   2.11211130   0.39361987
 C   -2.14822962   3.03246523  -1.20698358
 H   -0.61060012   1.76097778  -2.06588546
 H   -2.11135027   0.91092456  -1.65273996
 H   -2.66216335   3.21793246  -2.17527303
 H   -2.94146230   2.94714727  -0.44214778
 N   -1.23289618   4.10407741  -0.78227496
 H   -0.61706131   4.34707119  -1.56643326
 H   -1.77157392   4.95358717  -0.58579168
 20
 Energy -2240.634170494  Dipole 4.167543 Gradient 0.00020608
 C    0.00000000   0.00000000   0.00000000
 C    1.35188110   0.00000000   0.00000000
 S    2.47918762  -1.36316785   0.18518510
 S    2.47170061  -2.40614242  -1.62930989
 S    0.87362428  -3.76971224  -1.44114549
 S   -0.79158512  -2.50718167  -1.70886561
 S   -1.02421832  -1.48469498   0.09586309
 H    1.85573937   0.97512671   0.00000000
 C   -0.79148833   1.28315019   0.03514270
 C   -1.42481815   1.67001656  -1.31311954
 H   -1.59969918   1.17244468   0.78347618
 H   -0.15283000   2.11651020   0.37031431
 C   -2.16153415   3.01363388  -1.22722270
 H   -0.63156480   1.73005456  -2.08127501
 H   -2.12817395   0.88604922  -1.64167047
 H   -2.68637194   3.18312624  -2.19259744
 H   -2.94613545   2.94043792  -0.45226863
 N   -1.24196116   4.09220620  -0.83036071
 H   -0.63400883   4.32121907  -1.62480760
 H   -1.77857178   4.94519587  -0.64354349
 20
 Energy -2240.634259819  Dipole 4.146595 Gradient 0.00017689
 C    0.00000000   0.00000000   0.00000000
 C    1.35175951   0.00000000   0.00000000
 S    2.47586142  -1.36768013   0.17508395
 S    2.46357755  -2.38831450  -1.65198227
 S    0.86582703  -3.75441857  -1.47859770
 S   -0.80237640  -2.49004939  -1.72057190
 S   -1.02021428  -1.48789660   0.09728793
 H    1.85674849   0.97450497   0.00000000
 C   -0.79284087   1.28215896   0.02783952
 C   -1.43754714   1.65037147  -1.32041115
 H   -1.59495578   1.17920632   0.78380235
 H   -0.15246716   2.12048745   0.34712199
 C   -2.17287351   2.99536738  -1.24850700
 H   -0.65090844   1.69872522  -2.09615885
 H   -2.14366754   0.86182061  -1.63148134
 H   -2.70886941   3.14875885  -2.21045005
 H   -2.94845968   2.93589951  -0.46332743
 N   -1.24802760   4.07973479  -0.88093844
 H   -0.64834704   4.29342014  -1.68589451
 H   -1.78166786   4.93670209  -0.70398056
 20
 Energy -2240.634325492  Dipole 4.126523 Gradient 0.00014668
 C    0.00000000   0.00000000   0.00000000
 C    1.35161852   0.00000000   0.00000000
 S    2.47280392  -1.37167440   0.16603598
 S    2.45659822  -2.37001325  -1.67341431
 S    0.85869293  -3.73828397  -1.51589847
 S   -0.81247711  -2.47236550  -1.73247570
 S   -1.01655073  -1.49093235   0.09820668
 H    1.85769719   0.97389451   0.00000000
 C   -0.79403792   1.28119112   0.02049647
 C   -1.44815600   1.63158141  -1.32813536
 H   -1.59084420   1.18575461   0.78297843
 H   -0.15232352   2.12409013   0.32489692
 C   -2.18068338   2.97865677  -1.27120805
 H   -0.66722406   1.66722515  -2.11031518
 H   -2.15772511   0.83978585  -1.62264933
 H   -2.72615538   3.11665093  -2.23016798
 H   -2.94835060   2.93388166  -0.47732578
 N   -1.25019246   4.06724670  -0.93164352
 H   -0.65750467   4.26488733  -1.74582518
 H   -1.78028390   4.92855593  -0.76540489
 20
 Energy -2240.634393003  Dipole 4.106491 Gradient 0.00011380
 C    0.00000000   0.00000000   0.00000000
 C    1.35150223   0.00000000   0.00000000
 S    2.46988149  -1.37538614   0.15689150
 S    2.44972754  -2.35231777  -1.69417517
 S    0.85123131  -3.72154752  -1.55264019
 S   -0.82200595  -2.45420292  -1.74463081
 S   -1.01309054  -1.49374811   0.09853477
 H    1.85852288   0.97336575   0.00000000
 C   -0.79486419   1.28046696   0.01350698
 C   -1.45843777   1.61375398  -1.33500537
 H   -1.58615224   1.19300197   0.78260740
 H   -0.15124971   2.12725509   0.30299937
 C   -2.18518159   2.96434233  -1.29333080
 H   -0.68372501   1.63442488  -2.12387461
 H   -2.17327371   0.82038001  -1.61181936
 H   -2.74029848   3.08792999  -2.24871133
 H   -2.94449544   2.93663499  -0.49063729
 N   -1.24659103   4.05460134  -0.98281587
 H   -0.66074815   4.23401724  -1.80613295
 H   -1.77110145   4.92142634  -0.82784997
 20
 Energy -2240.634430376  Dipole 4.087773 Gradient 0.00008512
 C    0.00000000   0.00000000   0.00000000
 C    1.35138114   0.00000000   0.00000000
 S    2.46719173  -1.37895982   0.14726245
 S    2.44236199  -2.33449715  -1.71491893
 S    0.84406624  -3.70557325  -1.58675873
 S   -0.83175801  -2.43789924  -1.75495365
 S   -1.00976737  -1.49648162   0.09937211
 H    1.85933593   0.97283804   0.00000000
 C   -0.79587988   1.27959533   0.00580416
 C   -1.46645660   1.59657863  -1.34336405
 H   -1.58314735   1.19960246   0.77976059
 H   -0.15132113   2.13020566   0.28175844
 C   -2.18593554   2.95131331  -1.31782758
 H   -0.69655416   1.60188036  -2.13717287
 H   -2.18665972   0.80262313  -1.60399839
 H   -2.75031044   3.06101172  -2.26947655
 H   -2.93694807   2.94210409  -0.50693177
 N   -1.23801779   4.04145241  -1.03677393
 H   -0.65901708   4.20154259  -1.86887132
 H   -1.75579002   4.91429904  -0.89338503
 20
 Energy -2240.634458736  Dipole 4.070250 Gradient 0.00005521
 C    0.00000000   0.00000000   0.00000000
 C    1.35129396   0.00000000   0.00000000
 S    2.46521197  -1.38185350   0.13756007
 S    2.43401622  -2.31755156  -1.73466582
 S    0.83655617  -3.69073317  -1.61677860
 S   -0.84218286  -2.42376768  -1.76302663
 S   -1.00725978  -1.49852788   0.10068254
 H    1.85995663   0.97243082   0.00000000
 C   -0.79602634   1.27927624  -0.00186217
 C   -1.47267023   1.58089084  -1.35174559
 H   -1.57941898   1.20767971   0.77674019
 H   -0.14955383   2.13280822   0.26061298
 C   -2.18012279   2.94201957  -1.34404169
 H   -0.70794733   1.56692458  -2.15043915
 H   -2.20106057   0.78903693  -1.59520624
 H   -2.75206768   3.03958935  -2.29249133
 H   -2.92384487   2.95442910  -0.52648651
 N   -1.21982930   4.02825071  -1.09151225
 H   -0.64638740   4.16697726  -1.93126995
 H   -1.72815856   4.90856719  -0.96043367
