 20
 Energy -2240.633808734  Dipole 4.405640 Gradient 0.00002154
 C    0.00000000   0.00000000   0.00000000
 C    1.35085241   0.00000000   0.00000000
 S    2.45835450  -1.39323536  -0.10221902
 S    2.43704266  -2.22793124   1.81678831
 S    0.83187808  -3.59754804   1.78525778
 S   -0.84892009  -2.32385003   1.84565431
 S   -0.99450275  -1.51353154  -0.07261678
 H    1.86181136   0.97093635   0.00000000
 C   -0.79275454   1.28125911  -0.02605639
 C   -1.63832433   1.45320196  -1.30181368
 H   -1.46362112   1.29943490   0.85260285
 H   -0.11694017   2.14846020   0.05386364
 C   -2.34105347   2.81707159  -1.34057957
 H   -0.98381567   1.35366144  -2.18776191
 H   -2.39542411   0.65266002  -1.37082489
 H   -3.03323651   2.82533021  -2.21051271
 H   -2.96965994   2.92046004  -0.43756152
 N   -1.35669544   3.91014972  -1.32852682
 H   -0.90809690   3.96621542  -2.24969781
 H   -1.84111926   4.80476018  -1.20512723
 20
 Energy -2240.63380113  Dipole 4.396766 Gradient 0.00004701
 C    0.00000000   0.00000000   0.00000000
 C    1.35079205   0.00000000   0.00000000
 S    2.45743851  -1.39468267  -0.09560678
 S    2.43050116  -2.21865713   1.82803375
 S    0.82532363  -3.58847115   1.80138893
 S   -0.85674371  -2.31557963   1.84854924
 S   -0.99278687  -1.51475786  -0.07434674
 H    1.86226709   0.97065358   0.00000000
 C   -0.79363414   1.28072869  -0.01903939
 C   -1.64893737   1.45573086  -1.28760264
 H   -1.45836147   1.29560508   0.86449373
 H   -0.11828792   2.14835481   0.05984098
 C   -2.36689762   2.81199377  -1.30851222
 H   -0.99941735   1.37119905  -2.17877297
 H   -2.39805722   0.64790250  -1.35895032
 H   -3.06248273   2.82219986  -2.17572806
 H   -2.99319881   2.89781643  -0.40206234
 N   -1.39525392   3.91627611  -1.28746910
 H   -0.95072242   3.98791451  -2.20954232
 H   -1.88972745   4.80369443  -1.15249277
 20
 Energy -2240.63378372  Dipole 4.386238 Gradient 0.00007125
 C    0.00000000   0.00000000   0.00000000
 C    1.35068574   0.00000000   0.00000000
 S    2.45541279  -1.39714972  -0.08655170
 S    2.42192932  -2.20390693   1.84440442
 S    0.81657333  -3.57372307   1.82723061
 S   -0.86711947  -2.30183943   1.85468860
 S   -0.99025636  -1.51667458  -0.07548857
 H    1.86293939   0.97025537   0.00000000
 C   -0.79533461   1.27958907  -0.01058079
 C   -1.65890287   1.45957187  -1.27253949
 H   -1.45543683   1.28792593   0.87667961
 H   -0.12185115   2.14823411   0.07151691
 C   -2.39819209   2.80438204  -1.27051922
 H   -1.01273194   1.39679882  -2.16792685
 H   -2.39628251   0.64161050  -1.35109746
 H   -3.09529866   2.81764854  -2.13650569
 H   -3.02437321   2.86489706  -0.36193526
 N   -1.44472437   3.92396631  -1.23215673
 H   -1.00252637   4.01798244  -2.15335825
 H   -1.95382825   4.80074459  -1.08263367
 20
 Energy -2240.633744853  Dipole 4.375400 Gradient 0.00009638
 C    0.00000000   0.00000000   0.00000000
 C    1.35059375   0.00000000   0.00000000
 S    2.45338903  -1.39954710  -0.07773415
 S    2.41384186  -2.18965591   1.86023220
 S    0.80794299  -3.55906272   1.85252924
 S   -0.87737843  -2.28843697   1.86004582
 S   -0.98765848  -1.51858704  -0.07689484
 H    1.86359377   0.96983731   0.00000000
 C   -0.79668051   1.27860570  -0.00153163
 C   -1.66941777   1.46393852  -1.25609896
 H   -1.45132043   1.28089804   0.88997157
 H   -0.12445033   2.14789982   0.08287394
 C   -2.42879495   2.79723774  -1.23039374
 H   -1.02766649   1.42261318  -2.15585014
 H   -2.39554703   0.63661310  -1.34159492
 H   -3.12855117   2.81397308  -2.09423565
 H   -3.05331885   2.83273609  -0.31936444
 N   -1.49301426   3.93095655  -1.17550817
 H   -1.05436351   4.04695209  -2.09591171
 H   -2.01579192   4.79694637  -1.01104146
 20
 Energy -2240.633696717  Dipole 4.364533 Gradient 0.00012267
 C    0.00000000   0.00000000   0.00000000
 C    1.35051746   0.00000000   0.00000000
 S    2.45164907  -1.40175589  -0.06787146
 S    2.40418992  -2.17440469   1.87707617
 S    0.79834336  -3.54409756   1.87740973
 S   -0.88893476  -2.27558133   1.86448648
 S   -0.98524200  -1.52029755  -0.07896746
 H    1.86419634   0.96946449   0.00000000
 C   -0.79767880   1.27778619   0.00800623
 C   -1.68006642   1.46927843  -1.23850189
 H   -1.44634805   1.27384587   0.90404292
 H   -0.12630747   2.14740780   0.09473429
 C   -2.45723357   2.79157640  -1.18884891
 H   -1.04377758   1.44871152  -2.14281303
 H   -2.39605959   0.63385348  -1.33074847
 H   -3.15934637   2.81333473  -2.05070314
 H   -3.07995081   2.80281966  -0.27595226
 N   -1.53728802   3.93724996  -1.11639848
 H   -1.10226964   4.07505503  -2.03554207
 H   -2.07206663   4.79283296  -0.93658825
 20
 Energy -2240.633629436  Dipole 4.353980 Gradient 0.00014953
 C    0.00000000   0.00000000   0.00000000
 C    1.35043266   0.00000000   0.00000000
 S    2.44996294  -1.40379500  -0.05721485
 S    2.39396719  -2.15768171   1.89502555
 S    0.78808701  -3.52737140   1.90391432
 S   -0.90129155  -2.26146876   1.86915605
 S   -0.98299460  -1.52188937  -0.08095309
 H    1.86472245   0.96911688   0.00000000
 C   -0.79850915   1.27694285   0.01769358
 C   -1.68943793   1.47567440  -1.22130049
 H   -1.44172095   1.26670791   0.91778796
 H   -0.12785191   2.14671767   0.10746769
 C   -2.48230404   2.78746430  -1.14775630
 H   -1.05791607   1.47510169  -2.12918329
 H   -2.39618121   0.63327285  -1.32133780
 H   -3.18666467   2.81540267  -2.00760901
 H   -3.10299613   2.77512428  -0.23349306
 N   -1.57656641   3.94314953  -1.05712005
 H   -1.14463112   4.10171660  -1.97437652
 H   -2.12193609   4.78879373  -0.86267509
 20
 Energy -2240.633553103  Dipole 4.344570 Gradient 0.00017746
 C    0.00000000   0.00000000   0.00000000
 C    1.35032334   0.00000000   0.00000000
 S    2.44771007  -1.40623397  -0.04660464
 S    2.38367479  -2.13924270   1.91346446
 S    0.77759931  -3.50876291   1.93262090
 S   -0.91391573  -2.24591245   1.87475369
 S   -0.98074870  -1.52349581  -0.08251078
 H    1.86537093   0.96869188   0.00000000
 C   -0.79919410   1.27613414   0.02739624
 C   -1.69793074   1.48245968  -1.20434364
 H   -1.43729510   1.25900780   0.93118198
 H   -0.12912166   2.14585541   0.12097557
 C   -2.50443467   2.78442523  -1.10825071
 H   -1.07116429   1.50064332  -2.11530844
 H   -2.39648551   0.63418645  -1.31212760
 H   -3.21028068   2.81922148  -1.96665872
 H   -3.12361706   2.74986273  -0.19353414
 N   -1.61135188   3.94835650  -0.99884883
 H   -1.18232250   4.12739700  -1.91371882
 H   -2.16597517   4.78443391  -0.78966442
 20
 Energy -2240.633457894  Dipole 4.337928 Gradient 0.00020582
 C    0.00000000   0.00000000   0.00000000
 C    1.35023649   0.00000000   0.00000000
 S    2.44551057  -1.40852111  -0.03548050
 S    2.37276504  -2.12019367   1.93233106
 S    0.76627701  -3.48926584   1.96179436
 S   -0.92725771  -2.22981651   1.87978486
 S   -0.97809308  -1.52533789  -0.08447340
 H    1.86601859   0.96827701   0.00000000
 C   -0.79999375   1.27504828   0.03727909
 C   -1.70486404   1.49025674  -1.18814898
 H   -1.43415659   1.25043548   0.94381271
 H   -0.13066815   2.14471553   0.13594802
 C   -2.52291502   2.78310517  -1.06942995
 H   -1.08190693   1.52697427  -2.10115045
 H   -2.39621379   0.63730620  -1.30512528
 H   -3.23005521   2.82638703  -1.92638689
 H   -3.14070071   2.72692579  -0.15483086
 N   -1.64050889   3.95319671  -0.94030953
 H   -1.21412086   4.15233222  -1.85225561
 H   -2.20275113   4.78022506  -0.71605894
 20
 Energy -2240.633332233  Dipole 4.330423 Gradient 0.00023857
 C    0.00000000   0.00000000   0.00000000
 C    1.35014778   0.00000000   0.00000000
 S    2.44337786  -1.41072568  -0.02313016
 S    2.36095429  -2.09952891   1.95266536
 S    0.75422321  -3.46809476   1.99252221
 S   -0.94168627  -2.21298670   1.88479403
 S   -0.97570121  -1.52704422  -0.08650259
 H    1.86663074   0.96788204   0.00000000
 C   -0.80066733   1.27406975   0.04749378
 C   -1.71203615   1.49819970  -1.17145430
 H   -1.43038249   1.24202888   0.95702795
 H   -0.13180615   2.14348131   0.15091058
 C   -2.53885052   2.78338280  -1.03237898
 H   -1.09325968   1.55069025  -2.08650423
 H   -2.39784110   0.64187570  -1.29605037
 H   -3.24557618   2.83598549  -1.88917413
 H   -3.15698927   2.70783286  -0.11942313
 N   -1.66476369   3.95735775  -0.88285291
 H   -1.23843162   4.17428001  -1.79078898
 H   -2.23329691   4.77667356  -0.64640896
 20
 Energy -2240.633215272  Dipole 4.323398 Gradient 0.00026696
 C    0.00000000   0.00000000   0.00000000
 C    1.35007891   0.00000000   0.00000000
 S    2.44175453  -1.41232707  -0.01104131
 S    2.34898865  -2.07863840   1.97214078
 S    0.74256965  -3.44759899   2.02085735
 S   -0.95593082  -2.19778630   1.88808398
 S   -0.97331981  -1.52857511  -0.08912976
 H    1.86704899   0.96758713   0.00000000
 C   -0.80000929   1.27370433   0.05887533
 C   -1.72068057   1.50816510  -1.15034977
 H   -1.42289394   1.23526443   0.97305008
 H   -0.13023863   2.14200435   0.16523211
 C   -2.55222487   2.78776788  -0.98911189
 H   -1.10890736   1.57489090  -2.06922789
 H   -2.40359515   0.65041505  -1.28070339
 H   -3.26133849   2.85051022  -1.84323976
 H   -3.16810310   2.69532753  -0.07616157
 N   -1.68288606   3.96317701  -0.82351880
 H   -1.26045819   4.19638545  -1.72924656
 H   -2.25442818   4.77604675  -0.57249172
 20
 Energy -2240.633061683  Dipole 4.316948 Gradient 0.00030162
 C    0.00000000   0.00000000   0.00000000
 C    1.34999500   0.00000000   0.00000000
 S    2.43978288  -1.41412314   0.00205184
 S    2.33629109  -2.05688512   1.99258675
 S    0.73017178  -3.42586008   2.05061650
 S   -0.97073818  -2.18174281   1.89235434
 S   -0.97132916  -1.52996916  -0.09123752
 H    1.86755519   0.96724935   0.00000000
 C   -0.79968326   1.27296265   0.07041661
 C   -1.72691459   1.52015057  -1.13088956
 H   -1.41792276   1.22605048   0.98753362
 H   -0.12970616   2.14031747   0.18279805
 C   -2.56090644   2.79503954  -0.94561202
 H   -1.12037188   1.60165516  -2.05200375
 H   -2.40799537   0.66222458  -1.26926721
 H   -3.27505997   2.87012027  -1.79452438
 H   -3.17077192   2.68626776  -0.03046996
 N   -1.69354813   3.96988291  -0.76530774
 H   -1.27617616   4.21898710  -1.66914225
 H   -2.26590996   4.77705453  -0.49828560
 20
 Energy -2240.632890537  Dipole 4.314722 Gradient 0.00035375
 C    0.00000000   0.00000000   0.00000000
 C    1.34991673   0.00000000   0.00000000
 S    2.43766946  -1.41581991   0.01554438
 S    2.32340898  -2.03294274   2.01368857
 S    0.71727893  -3.40178506   2.08239520
 S   -0.98602188  -2.16414261   1.89645449
 S   -0.96898935  -1.53152007  -0.09315234
 H    1.86799422   0.96692815   0.00000000
 C   -0.79913018   1.27231487   0.08079635
 C   -1.72916476   1.53263289  -1.11517582
 H   -1.41520661   1.21712660   0.99903809
 H   -0.12860768   2.13813678   0.20099484
 C   -2.56458754   2.80359233  -0.90983774
 H   -1.12495387   1.62756852  -2.03654640
 H   -2.40899236   0.67534544  -1.26320226
 H   -3.27829799   2.89237028  -1.75775538
 H   -3.17486828   2.67895013   0.00304078
 N   -1.69845628   3.97612175  -0.70891591
 H   -1.28068776   4.24100876  -1.60806741
 H   -2.27191028   4.77803153  -0.42865979
 20
 Energy -2240.632679262  Dipole 4.314095 Gradient 0.00037953
 C    0.00000000   0.00000000   0.00000000
 C    1.34982723   0.00000000   0.00000000
 S    2.43546412  -1.41756104   0.02897508
 S    2.31105687  -2.00796256   2.03478154
 S    0.70390971  -3.37550692   2.11577789
 S   -1.00129206  -2.14442873   1.90118914
 S   -0.96676046  -1.53288745  -0.09434481
 H    1.86852349   0.96656733   0.00000000
 C   -0.79834352   1.27168469   0.09143604
 C   -1.72988935   1.54632138  -1.10006328
 H   -1.41308572   1.20908500   1.01021094
 H   -0.12699440   2.13567982   0.21993881
 C   -2.56373905   2.81535792  -0.87642809
 H   -1.12711384   1.65247469  -2.02110889
 H   -2.41046318   0.69133720  -1.25746671
 H   -3.27581084   2.91882813  -1.72404777
 H   -3.17582016   2.67728805   0.03330524
 N   -1.69610892   3.98324477  -0.65520623
 H   -1.27612351   4.26175634  -1.54922255
 H   -2.26888006   4.78150634  -0.36343984
 20
 Energy -2240.632484374  Dipole 4.314271 Gradient 0.00042449
 C    0.00000000   0.00000000   0.00000000
 C    1.34968906   0.00000000   0.00000000
 S    2.43268790  -1.41953511   0.04234604
 S    2.29976183  -1.98155016   2.05587334
 S    0.69122584  -3.34655071   2.15180151
 S   -1.01602446  -2.12239909   1.90839400
 S   -0.96462850  -1.53456240  -0.09466127
 H    1.86907290   0.96613311   0.00000000
 C   -0.79805391   1.27075582   0.10185695
 C   -1.72981274   1.56001670  -1.08527139
 H   -1.41219361   1.19734924   1.02035147
 H   -0.12668370   2.13306880   0.24063934
 C   -2.55997954   2.82868769  -0.84555953
 H   -1.12764167   1.67561783  -2.00561253
 H   -2.41245017   0.70846364  -1.25197305
 H   -3.26955667   2.94681973  -1.69329081
 H   -3.17461450   2.67968461   0.06071872
 N   -1.68901336   3.99051463  -0.60545244
 H   -1.26621605   4.28054488  -1.49447560
 H   -2.26018892   4.78624015  -0.30370639
 20
 Energy -2240.632246722  Dipole 4.316714 Gradient 0.00047769
 C    0.00000000   0.00000000   0.00000000
 C    1.34955990   0.00000000   0.00000000
 S    2.42951271  -1.42173588   0.05582494
 S    2.28947329  -1.95276854   2.07727374
 S    0.67822145  -3.31390349   2.19127639
 S   -1.03045428  -2.09748505   1.91622981
 S   -0.96170339  -1.53651320  -0.09422147
 H    1.86972232   0.96567578   0.00000000
 C   -0.79776356   1.26973363   0.11090935
 C   -1.72732409   1.57308071  -1.07402179
 H   -1.41311386   1.18734242   1.02794280
 H   -0.12630878   2.13023676   0.26012517
 C   -2.55306043   2.84221067  -0.82109566
 H   -1.12389761   1.69640800  -1.99248716
 H   -2.41243107   0.72542727  -1.25012172
 H   -3.25946421   2.97418217  -1.66943556
 H   -3.17121369   2.68435841   0.08127973
 N   -1.67803831   3.99725209  -0.56322796
 H   -1.25140571   4.29736341  -1.44705888
 H   -2.24681681   4.79121290  -0.25253397
 20
 Energy -2240.631973671  Dipole 4.320276 Gradient 0.00055376
 C    0.00000000   0.00000000   0.00000000
 C    1.34938067   0.00000000   0.00000000
 S    2.42502986  -1.42486913   0.06851312
 S    2.28203465  -1.92078734   2.09909350
 S    0.66584352  -3.27440892   2.23794701
 S   -1.04360048  -2.06666259   1.92753595
 S   -0.95789588  -1.53915815  -0.09145891
 H    1.87069666   0.96496946   0.00000000
 C   -0.79830288   1.26824718   0.11836170
 C   -1.72333292   1.58394402  -1.06661265
 H   -1.41670705   1.17709140   1.03257038
 H   -0.12752933   2.12734883   0.27842207
 C   -2.54350101   2.85511720  -0.80552102
 H   -1.11684337   1.71198793  -1.98242741
 H   -2.41156950   0.74065347  -1.25122415
 H   -3.24617512   2.99839322  -1.65510286
 H   -3.16551102   2.69286171   0.09338080
 N   -1.66323938   4.00329080  -0.53456384
 H   -1.23232683   4.30917367  -1.41433004
 H   -2.22887608   4.79735268  -0.21839225
 20
 Energy -2240.631672883  Dipole 4.325447 Gradient 0.00068431
 C    0.00000000   0.00000000   0.00000000
 C    1.34913386   0.00000000   0.00000000
 S    2.41832074  -1.42976453   0.08014155
 S    2.27929458  -1.88380134   2.12088001
 S    0.65508442  -3.22542774   2.29519591
 S   -1.05458939  -2.02786494   1.94359151
 S   -0.95264109  -1.54289512  -0.08539705
 H    1.87232522   0.96387440   0.00000000
 C   -0.80026963   1.26610962   0.12264925
 C   -1.71795273   1.59052443  -1.06539634
 H   -1.42359352   1.16723221   1.03274310
 H   -0.13125989   2.12468648   0.29289362
 C   -2.53184313   2.86571506  -0.80397296
 H   -1.10621252   1.71866400  -1.97771485
 H   -2.40970954   0.75162796  -1.25656682
 H   -3.23069269   3.01507528  -1.65563660
 H   -3.15790455   2.70507984   0.09239487
 N   -1.64582790   4.00815237  -0.52739088
 H   -1.20970533   4.31316931  -1.40488305
 H   -2.20785637   4.80494123  -0.21169470
 20
 Energy -2240.631308416  Dipole 4.332091 Gradient 0.00087744
 C    0.00000000   0.00000000   0.00000000
 C    1.34879308   0.00000000   0.00000000
 S    2.40940402  -1.43625918   0.08909363
 S    2.28449959  -1.84231356   2.14088708
 S    0.64901273  -3.16559084   2.36325224
 S   -1.06137077  -1.98198438   1.96420208
 S   -0.94506694  -1.54813235  -0.07574310
 H    1.87453057   0.96235483   0.00000000
 C   -0.80371163   1.26345317   0.12303374
 C   -1.71201398   1.59062584  -1.07138253
 H   -1.43339977   1.15886298   1.02806935
 H   -0.13761602   2.12273341   0.30138125
 C   -2.52037514   2.87117584  -0.81923372
 H   -1.09333329   1.71360799  -1.97974198
 H   -2.40673053   0.75491578  -1.26562908
 H   -3.21559187   3.01919932  -1.67411000
 H   -3.15038637   2.71880212   0.07584655
 N   -1.62933867   4.01054754  -0.54644390
 H   -1.18809165   4.30741989  -1.42417137
 H   -2.18824437   4.81242123  -0.23814763
 20
 Energy -2240.630836357  Dipole 4.341868 Gradient 0.00114948
 C    0.00000000   0.00000000   0.00000000
 C    1.34840888   0.00000000   0.00000000
 S    2.39799510  -1.44468694   0.09475061
 S    2.29710245  -1.79998832   2.15728255
 S    0.64754254  -3.09771692   2.43852829
 S   -1.06473766  -1.93299898   1.98682832
 S   -0.93531102  -1.55469261  -0.06345337
 H    1.87761792   0.96033091   0.00000000
 C   -0.80858530   1.26032646   0.11939319
 C   -1.70655399   1.58388758  -1.08416042
 H   -1.44553998   1.15241284   1.01886539
 H   -0.14659345   2.12178966   0.30293104
 C   -2.51042489   2.87048593  -0.84963933
 H   -1.07998058   1.69724855  -1.98836238
 H   -2.40338490   0.74987042  -1.27800762
 H   -3.20307832   3.01016663  -1.70798862
 H   -3.14301952   2.73246840   0.04595290
 N   -1.61522208   4.00973800  -0.59032743
 H   -1.17057720   4.29237111  -1.47103066
 H   -2.17132572   4.81823772  -0.29454055
 20
 Energy -2240.630245512  Dipole 4.357124 Gradient 0.00148133
 C    0.00000000   0.00000000   0.00000000
 C    1.34800782   0.00000000   0.00000000
 S    2.38553315  -1.45383179   0.09718482
 S    2.31503988  -1.76000033   2.16860709
 S    0.65005185  -3.02674769   2.51581204
 S   -1.06616294  -1.88642658   2.00821183
 S   -0.92398496  -1.56218583  -0.05043269
 H    1.88118179   0.95797579   0.00000000
 C   -0.81491986   1.25659269   0.11203916
 C   -1.70277334   1.57127538  -1.10127057
 H   -1.45857221   1.14770498   1.00652976
 H   -0.15764455   2.12147630   0.29730065
 C   -2.50343026   2.86389485  -0.89020065
 H   -1.06857490   1.67196000  -2.00169412
 H   -2.40098039   0.73760962  -1.29151641
 H   -3.19459022   2.98968837  -1.75192831
 H   -3.13770250   2.74407253   0.00680576
 N   -1.60539299   4.00513084  -0.65090095
 H   -1.15817964   4.26966944  -1.53588852
 H   -2.15928262   4.82083146  -0.37120289
 20
 Energy -2240.629443599  Dipole 4.378659 Gradient 0.00186955
 C    0.00000000   0.00000000   0.00000000
 C    1.34766485   0.00000000   0.00000000
 S    2.37287474  -1.46306481   0.09610779
 S    2.33707030  -1.72615520   2.17373972
 S    0.65607413  -2.95713653   2.59025103
 S   -1.06646694  -1.84635212   2.02640347
 S   -0.91189375  -1.56997833  -0.03797356
 H    1.88495394   0.95556109   0.00000000
 C   -0.82106782   1.25316242   0.10324125
 C   -1.70112675   1.55534472  -1.11921538
 H   -1.46981130   1.14561907   0.99410310
 H   -0.16812652   2.12184356   0.28677169
 C   -2.49962415   2.85317413  -0.93347946
 H   -1.06103534   1.64175784  -2.01696261
 H   -2.40019156   0.72085767  -1.30257605
 H   -3.18984073   2.96261057  -1.79824518
 H   -3.13505829   2.75253975  -0.03492312
 N   -1.59978356   3.99737662  -0.71691990
 H   -1.15103985   4.24246231  -1.60671859
 H   -2.15240934   4.81980011  -0.45495608
 20
 Energy -2240.628453117  Dipole 4.408670 Gradient 0.00229042
 C    0.00000000   0.00000000   0.00000000
 C    1.34739464   0.00000000   0.00000000
 S    2.36054005  -1.47198820   0.09305785
 S    2.36086562  -1.69897634   2.17436161
 S    0.66367389  -2.89022710   2.66080161
 S   -1.06708710  -1.81366247   2.04107100
 S   -0.89980778  -1.57763678  -0.02655307
 H    1.88886681   0.95304077   0.00000000
 C   -0.82680061   1.25005337   0.09311037
 C   -1.70086269   1.53775899  -1.13753761
 H   -1.47926083   1.14589231   0.98157254
 H   -0.17780251   2.12273577   0.27225241
 C   -2.49792432   2.83975747  -0.97693928
 H   -1.05603122   1.60983066  -2.03317715
 H   -2.40037174   0.70185880  -1.31250984
 H   -3.18778205   2.93239679  -1.84395503
 H   -3.13379361   2.75802961  -0.07676071
 N   -1.59689932   3.98713575  -0.78374090
 H   -1.14766036   4.21327589  -1.67828924
 H   -2.14858251   4.81540719  -0.53882282
 20
 Energy -2240.6272073  Dipole 4.447245 Gradient 0.00271775
 C    0.00000000   0.00000000   0.00000000
 C    1.34723613   0.00000000   0.00000000
 S    2.34896188  -1.48036746   0.08831048
 S    2.38489629  -1.67946138   2.17084437
 S    0.67176604  -2.82787788   2.72568424
 S   -1.06866683  -1.78914760   2.05165428
 S   -0.88833508  -1.58477316  -0.01709061
 H    1.89273420   0.95065691   0.00000000
 C   -0.83222476   1.24706124   0.08307673
 C   -1.70119736   1.52036930  -1.15493706
 H   -1.48798328   1.14643908   0.96942783
 H   -0.18694271   2.12366278   0.25702314
 C   -2.49731211   2.82562560  -1.01755650
 H   -1.05244287   1.57913904  -2.04872691
 H   -2.40093131   0.68297638  -1.32154656
 H   -3.18723488   2.90252134  -1.88608775
 H   -3.13318260   2.76106030  -0.11598419
 N   -1.59545418   3.97573440  -0.84623502
 H   -1.14650676   4.18474681  -1.74506409
 H   -2.14640602   4.80884445  -0.61652052
 20
 Energy -2240.625703818  Dipole 4.494443 Gradient 0.00314148
 C    0.00000000   0.00000000   0.00000000
 C    1.34716069   0.00000000   0.00000000
 S    2.33819040  -1.48813623   0.08289819
 S    2.40839935  -1.66667715   2.16456375
 S    0.67969399  -2.76950395   2.78581335
 S   -1.07142431  -1.77166152   2.05906397
 S   -0.87776939  -1.59132203  -0.00895494
 H    1.89640010   0.94837692   0.00000000
 C   -0.83712164   1.24429456   0.07317636
 C   -1.70224294   1.50335513  -1.17106545
 H   -1.49535386   1.14787119   0.95807002
 H   -0.19523095   2.12446226   0.24188734
 C   -2.49761742   2.81117315  -1.05501882
 H   -1.05061247   1.54953424  -2.06349354
 H   -2.40221149   0.66446108  -1.32891510
 H   -3.18774085   2.87354454  -1.92456411
 H   -3.13327446   2.76236604  -0.15233616
 N   -1.59501832   3.96342916  -0.90388940
 H   -1.14689585   4.15722968  -1.80652109
 H   -2.14512420   4.80056276  -0.68726715
 20
 Energy -2240.623947446  Dipole 4.549695 Gradient 0.00354155
 C    0.00000000   0.00000000   0.00000000
 C    1.34714243   0.00000000   0.00000000
 S    2.32849778  -1.49502115   0.07724343
 S    2.43108091  -1.65977664   2.15633206
 S    0.68733922  -2.71482556   2.84128886
 S   -1.07514556  -1.76075542   2.06362133
 S   -0.86793666  -1.59749416  -0.00216929
 H    1.89984036   0.94631535   0.00000000
 C   -0.84158760   1.24164192   0.06364003
 C   -1.70388536   1.48674389  -1.18580864
 H   -1.50161766   1.14926593   0.94758369
 H   -0.20282319   2.12528471   0.22648089
 C   -2.49876015   2.79647522  -1.08919547
 H   -1.05012222   1.52135868  -2.07721064
 H   -2.40397601   0.64639262  -1.33498832
 H   -3.18902341   2.84565264  -1.95947294
 H   -3.13425999   2.76187196  -0.18573120
 N   -1.59564036   3.95043070  -0.95621093
 H   -1.14844468   4.13083021  -1.86204292
 H   -2.14497703   4.79095296  -0.75098186
 20
 Energy -2240.621950966  Dipole 4.611805 Gradient 0.00388801
 C    0.00000000   0.00000000   0.00000000
 C    1.34718170   0.00000000   0.00000000
 S    2.31959282  -1.50141169   0.07057450
 S    2.45236431  -1.65984850   2.14555545
 S    0.69406973  -2.66513382   2.89056640
 S   -1.07992786  -1.75671694   2.06461431
 S   -0.85924268  -1.60305349   0.00240521
 H    1.90302637   0.94435455   0.00000000
 C   -0.84546065   1.23917991   0.05532406
 C   -1.70556030   1.47193100  -1.19840643
 H   -1.50689569   1.15070296   0.93855132
 H   -0.20946658   2.12590198   0.21264874
 C   -2.49994123   2.78309905  -1.11836298
 H   -1.05013141   1.49651651  -2.08891470
 H   -2.40578419   0.63036605  -1.33991381
 H   -3.19034148   2.82109702  -1.98910539
 H   -3.13534257   2.76051918  -0.21448258
 N   -1.59625195   3.93817264  -1.00079894
 H   -1.15000640   4.10719522  -1.90928406
 H   -2.14482966   4.78141789  -0.80511230
 20
 Energy -2240.619715083  Dipole 4.679071 Gradient 0.00419683
 C    0.00000000   0.00000000   0.00000000
 C    1.34726991   0.00000000   0.00000000
 S    2.31142057  -1.50737552   0.06425452
 S    2.47195327  -1.66479235   2.13399833
 S    0.69963974  -2.61786713   2.93592764
 S   -1.08567345  -1.75730636   2.06368616
 S   -0.85175894  -1.60797247   0.00606902
 H    1.90599115   0.94263669   0.00000000
 C   -0.84877056   1.23700021   0.04736831
 C   -1.70703640   1.45816800  -1.21010959
 H   -1.51141220   1.15256572   0.93006618
 H   -0.21521729   2.12645850   0.19917533
 C   -2.50085334   2.77052291  -1.14492560
 H   -1.05021455   1.47356169  -2.09980279
 H   -2.40746521   0.61561797  -1.34437940
 H   -3.19126436   2.79872436  -2.01603286
 H   -3.13623858   2.75868588  -0.24084036
 N   -1.59648471   3.92628609  -1.04093940
 H   -1.15107962   4.08526033  -1.95161836
 H   -2.14428188   4.77194717  -0.85360360
 20
 Energy -2240.617284228  Dipole 4.749855 Gradient 0.00442023
 C    0.00000000   0.00000000   0.00000000
 C    1.34736585   0.00000000   0.00000000
 S    2.30420793  -1.51266499   0.05800054
 S    2.49013415  -1.67421040   2.12161625
 S    0.70463683  -2.57309825   2.97696030
 S   -1.09173057  -1.76271663   2.06091160
 S   -0.84520019  -1.61252108   0.00870750
 H    1.90851392   0.94111342   0.00000000
 C   -0.85171591   1.23495323   0.04011908
 C   -1.70854243   1.44538342  -1.22051302
 H   -1.51544223   1.15364647   0.92224326
 H   -0.22053114   2.12695319   0.18693064
 C   -2.50190177   2.75859343  -1.16835758
 H   -1.05077309   1.45253210  -2.10960805
 H   -2.40913538   0.60191755  -1.34800614
 H   -3.19226378   2.77834206  -2.03972250
 H   -3.13729549   2.75616623  -0.26422011
 N   -1.59693522   3.91480729  -1.07601461
 H   -1.15230357   4.06514598  -1.98853848
 H   -2.14404806   4.76240434  -0.89580289
 20
 Energy -2240.614696167  Dipole 4.822565 Gradient 0.00456520
 C    0.00000000   0.00000000   0.00000000
 C    1.34747250   0.00000000   0.00000000
 S    2.29782146  -1.51747587   0.05187056
 S    2.50660313  -1.68792891   2.10861114
 S    0.70873182  -2.53053376   3.01356556
 S   -1.09811527  -1.77242484   2.05639387
 S   -0.83965416  -1.61663454   0.01026718
 H    1.91071238   0.93985569   0.00000000
 C   -0.85417901   1.23308072   0.03351139
 C   -1.70980464   1.43382152  -1.22983757
 H   -1.51892533   1.15488957   0.91514170
 H   -0.22507911   2.12736170   0.17562268
 C   -2.50270503   2.74770523  -1.18897103
 H   -1.05130143   1.43366046  -2.11842029
 H   -2.41060004   0.58965366  -1.35121799
 H   -3.19298038   2.76026787  -2.06053152
 H   -3.13817123   2.75309292  -0.28490759
 N   -1.59707298   3.90407085  -1.10649999
 H   -1.15306344   4.04705789  -2.02047868
 H   -2.14336590   4.75345442  -0.93223615
 20
 Energy -2240.611995748  Dipole 4.894696 Gradient 0.00461222
 C    0.00000000   0.00000000   0.00000000
 C    1.34759981   0.00000000   0.00000000
 S    2.29227244  -1.52184325   0.04565722
 S    2.52142516  -1.70579110   2.09492664
 S    0.71211472  -2.49006470   3.04552004
 S   -1.10449376  -1.78610852   2.05034173
 S   -0.83509855  -1.62028661   0.01079142
 H    1.91251299   0.93877307   0.00000000
 C   -0.85617931   1.23140356   0.02764078
 C   -1.71080340   1.42359560  -1.23796585
 H   -1.52166195   1.15629127   0.90895281
 H   -0.22885226   2.12763013   0.16531908
 C   -2.50317664   2.73802531  -1.20664616
 H   -1.05160808   1.41725531  -2.12600584
 H   -2.41177854   0.57883479  -1.35414278
 H   -3.19328493   2.74468970  -2.07839348
 H   -3.13875334   2.75013158  -0.30273195
 N   -1.59678148   3.89429432  -1.13236860
 H   -1.15325723   4.03111972  -2.04752421
 H   -2.14221833   4.74516460  -0.96299570
 20
 Energy -2240.60924315  Dipole 4.964662 Gradient 0.00454059
 C    0.00000000   0.00000000   0.00000000
 C    1.34769990   0.00000000   0.00000000
 S    2.28736036  -1.52581271   0.03956033
 S    2.53444161  -1.72735748   2.08100440
 S    0.71471249  -2.45117736   3.07301128
 S   -1.11081227  -1.80318293   2.04317373
 S   -0.83161922  -1.62342529   0.01056661
 H    1.91401944   0.93794604   0.00000000
 C   -0.85778142   1.22989369   0.02252245
 C   -1.71146249   1.41469258  -1.24503077
 H   -1.52407067   1.15765098   0.90351100
 H   -0.23196062   2.12778445   0.15642575
 C   -2.50327133   2.72960251  -1.22175243
 H   -1.05164367   1.40308453  -2.13256059
 H   -2.41258427   0.56950045  -1.35673550
 H   -3.19315672   2.73155951  -2.09365807
 H   -3.13896777   2.74771928  -0.31802951
 N   -1.59601021   3.88554781  -1.15414355
 H   -1.15289640   4.01724262  -2.07023056
 H   -2.14070391   4.73773940  -0.98888679
 20
 Energy -2240.606489815  Dipole 5.029228 Gradient 0.00435772
 C    0.00000000   0.00000000   0.00000000
 C    1.34780464   0.00000000   0.00000000
 S    2.28313623  -1.52934880   0.03359021
 S    2.54549264  -1.75222109   2.06707635
 S    0.71639979  -2.41364161   3.09591607
 S   -1.11704218  -1.82328029   2.03494292
 S   -0.82915483  -1.62607980   0.00940942
 H    1.91514520   0.93728492   0.00000000
 C   -0.85902064   1.22858042   0.01801490
 C   -1.71170531   1.40708109  -1.25129189
 H   -1.52619137   1.15863069   0.89849864
 H   -0.23452521   2.12784227   0.14883912
 C   -2.50286744   2.72244117  -1.23474669
 H   -1.05128882   1.39091269  -2.13830967
 H   -2.41306569   0.56159921  -1.35926601
 H   -3.19252957   2.72054286  -2.10681670
 H   -3.13872859   2.74534741  -0.33127377
 N   -1.59475092   3.87795018  -1.17249477
 H   -1.15183989   4.00536283  -2.08929921
 H   -2.13864840   4.73124347  -1.01058980
 20
 Energy -2240.603812994  Dipole 5.086075 Gradient 0.00404559
 C    0.00000000   0.00000000   0.00000000
 C    1.34788775   0.00000000   0.00000000
 S    2.27977892  -1.53235533   0.02733882
 S    2.55481771  -1.78013982   2.05289691
 S    0.71765588  -2.37762111   3.11386899
 S   -1.12277204  -1.84633138   2.02572813
 S   -0.82757259  -1.62827139   0.00727217
 H    1.91583572   0.93694111   0.00000000
 C   -0.85989823   1.22745840   0.01421658
 C   -1.71170298   1.40078307  -1.25655058
 H   -1.52807538   1.15951969   0.89413456
 H   -0.23664207   2.12797839   0.14250268
 C   -2.50215237   2.71653662  -1.24529154
 H   -1.05073788   1.38089401  -2.14308501
 H   -2.41336609   0.55520991  -1.36148423
 H   -3.19154233   2.71189389  -2.11755947
 H   -3.13828028   2.74299828  -0.34211280
 N   -1.59318114   3.87155387  -1.18708537
 H   -1.15030707   3.99563665  -2.10433640
 H   -2.13624901   4.72588029  -1.02773861
 20
 Energy -2240.601285591  Dipole 5.133409 Gradient 0.00360254
 C    0.00000000   0.00000000   0.00000000
 C    1.34794427   0.00000000   0.00000000
 S    2.27723377  -1.53481373   0.02073213
 S    2.56255477  -1.81078978   2.03854025
 S    0.71870307  -2.34312350   3.12682229
 S   -1.12785121  -1.87204374   2.01572197
 S   -0.82677055  -1.62999554   0.00425885
 H    1.91616701   0.93671213   0.00000000
 C   -0.86044385   1.22653356   0.01116790
 C   -1.71148774   1.39579101  -1.26076285
 H   -1.52948297   1.16017147   0.89051378
 H   -0.23815281   2.12801522   0.13738029
 C   -2.50123082   2.71193495  -1.25343177
 H   -1.05010997   1.37305478  -2.14691679
 H   -2.41344028   0.55015723  -1.36340999
 H   -3.19030073   2.70540552  -2.12593138
 H   -3.13760380   2.74099848  -0.35050139
 N   -1.59133609   3.86632476  -1.19784315
 H   -1.14833919   3.98793800  -2.11537645
 H   -2.13356220   4.72147788  -1.04030473
 20
 Energy -2240.598986659  Dipole 5.169923 Gradient 0.00303819
 C    0.00000000   0.00000000   0.00000000
 C    1.34799716   0.00000000   0.00000000
 S    2.27544488  -1.53664698   0.01392407
 S    2.56870776  -1.84344648   2.02438844
 S    0.71952063  -2.30953947   3.13510979
 S   -1.13227372  -1.89963438   2.00529295
 S   -0.82668750  -1.63115953   0.00051598
 H    1.91606821   0.93682096   0.00000000
 C   -0.86066196   1.22586904   0.00859378
 C   -1.71098027   1.39196505  -1.26430526
 H   -1.53048581   1.16093544   0.88748359
 H   -0.23912729   2.12812127   0.13324511
 C   -2.50000789   2.70846923  -1.25978051
 H   -1.04914043   1.36718797  -2.15006896
 H   -2.41311323   0.54633302  -1.36528667
 H   -3.18863734   2.70105752  -2.13259138
 H   -3.13676595   2.73982213  -0.35721607
 N   -1.58918473   3.86219150  -1.20581637
 H   -1.14599558   3.98214855  -2.12345841
 H   -2.13083433   4.71799704  -1.04963694
 20
 Energy -2240.596990912  Dipole 5.193045 Gradient 0.00236615
 C    0.00000000   0.00000000   0.00000000
 C    1.34804408   0.00000000   0.00000000
 S    2.27441700  -1.53781075   0.00654041
 S    2.57337860  -1.87792098   2.01020243
 S    0.72031057  -2.27714745   3.13850011
 S   -1.13591993  -1.92894464   1.99433542
 S   -0.82724182  -1.63178359  -0.00417751
 H    1.91571232   0.93700042   0.00000000
 C   -0.86057675   1.22543383   0.00665060
 C   -1.71017170   1.38942900  -1.26705462
 H   -1.53133009   1.16159861   0.88487654
 H   -0.23944551   2.12810434   0.13021867
 C   -2.49854149   2.70625879  -1.26421534
 H   -1.04799101   1.36322470  -2.15253189
 H   -2.41253614   0.54386099  -1.36702321
 H   -3.18684498   2.69860644  -2.13727387
 H   -3.13559987   2.73875287  -0.36193284
 N   -1.58688692   3.85934637  -1.21091145
 H   -1.14327033   3.97812296  -2.12851327
 H   -2.12780274   4.71571682  -1.05550563
 20
 Energy -2240.59536282  Dipole 5.202402 Gradient 0.00161342
 C    0.00000000   0.00000000   0.00000000
 C    1.34810090   0.00000000   0.00000000
 S    2.27414488  -1.53828323  -0.00059816
 S    2.57660402  -1.91283124   1.99701065
 S    0.72113267  -2.24425498   3.13829032
 S   -1.13879984  -1.95850199   1.98397970
 S   -0.82834693  -1.63183400  -0.00893360
 H    1.91489753   0.93754443   0.00000000
 C   -0.86012675   1.22530432   0.00461926
 C   -1.70907743   1.38751243  -1.26980312
 H   -1.53191550   1.16301282   0.88219293
 H   -0.23935172   2.12837821   0.12710173
 C   -2.49675181   2.70470664  -1.26828622
 H   -1.04648678   1.36019561  -2.15494298
 H   -2.41167224   0.54207809  -1.36893546
 H   -3.18472626   2.69677059  -2.14158507
 H   -3.13406621   2.73823706  -0.36619941
 N   -1.58430477   3.85716137  -1.21533724
 H   -1.13983557   3.97485092  -2.13266240
 H   -2.12474976   4.71411032  -1.06123913
 20
 Energy -2240.594165625  Dipole 5.198770 Gradient 0.00081038
 C    0.00000000   0.00000000   0.00000000
 C    1.34818244   0.00000000   0.00000000
 S    2.27464135  -1.53786202  -0.00912053
 S    2.57850859  -1.94959640   1.98298802
 S    0.72209705  -2.21375856   3.13233754
 S   -1.14086135  -1.98987974   1.97227020
 S   -0.82986220  -1.63131705  -0.01548583
 H    1.91392913   0.93813351   0.00000000
 C   -0.85950123   1.22536866   0.00343981
 C   -1.70770900   1.38734025  -1.27156281
 H   -1.53225480   1.16386507   0.88026759
 H   -0.23869476   2.12846076   0.12556220
 C   -2.49473015   2.70488470  -1.26976984
 H   -1.04477545   1.35985382  -2.15644658
 H   -2.41056851   0.54215155  -1.37088815
 H   -3.18239491   2.69783307  -2.14330490
 H   -3.13232638   2.73827827  -0.36786570
 N   -1.58160987   3.85676479  -1.21577690
 H   -1.13653532   3.97447413  -2.13284359
 H   -2.12164091   4.71398059  -1.06183389
 20
 Energy -2240.593443079  Dipole 5.182771 Gradient 0.00002851
 C    0.00000000   0.00000000   0.00000000
 C    1.34832074   0.00000000   0.00000000
 S    2.27604827  -1.53657266  -0.01695774
 S    2.57932454  -1.98508072   1.97100298
 S    0.72378689  -2.18091330   3.12436479
 S   -1.14170461  -2.01957664   1.96278475
 S   -0.83188333  -1.63021832  -0.02098763
 H    1.91249643   0.93907698   0.00000000
 C   -0.85840605   1.22592132   0.00176939
 C   -1.70602988   1.38730070  -1.27373693
 H   -1.53206804   1.16601868   0.87799438
 H   -0.23707197   2.12876247   0.12318719
 C   -2.49235155   2.70522927  -1.27215482
 H   -1.04271146   1.35941739  -2.15831419
 H   -2.40909783   0.54229360  -1.37290990
 H   -3.17974298   2.69879198  -2.14589351
 H   -3.13020044   2.73887229  -0.37044243
 N   -1.57849383   3.85651420  -1.21768772
 H   -1.13424673   3.97521396  -2.13501154
 H   -2.11785470   4.71385214  -1.06204344
 20
 Energy -2240.593197043  Dipole 5.155011  ZPE 0.137507  G(298.15) 59.48
 C    0.00000000   0.00000000   0.00000000
 C    1.34851021   0.00000000   0.00000000
 S    2.27840539  -1.53425204  -0.02589576
 S    2.57906624  -2.02124232   1.95873973
 S    0.72616454  -2.14936386   3.11197446
 S   -1.14143710  -2.04963830   1.95300453
 S   -0.83424148  -1.62847460  -0.02749046
 H    1.91085601   0.94018178   0.00000000
 C   -0.85690076   1.22688050   0.00076694
 C   -1.70419442   1.38849596  -1.27501012
 H   -1.53125693   1.16854505   0.87650767
 H   -0.23460722   2.12913562   0.12156643
 C   -2.48978157   2.70684323  -1.27276308
 H   -1.04075241   1.36058836  -2.15949543
 H   -2.40755693   0.54376698  -1.37427234
 H   -3.17708105   2.70148524  -2.14656959
 H   -3.12770625   2.74018367  -0.37109400
 N   -1.57519684   3.85748454  -1.21727783
 H   -1.13169125   3.97753660  -2.13475128
 H   -2.11373466   4.71490187  -1.05930720
 20
 Energy -2240.593438977  Dipole 5.117083 Gradient 0.00002851
 C    0.00000000   0.00000000   0.00000000
 C    1.34877026   0.00000000   0.00000000
 S    2.28170479  -1.53086257  -0.03557863
 S    2.57758186  -2.05667305   1.94679108
 S    0.72877396  -2.11811894   3.09570106
 S   -1.14032577  -2.07974008   1.94253192
 S   -0.83669912  -1.62623512  -0.03532219
 H    1.90900226   0.94144753   0.00000000
 C   -0.85550900   1.22787588  -0.00097631
 C   -1.70243334   1.38979333  -1.27703262
 H   -1.53064440   1.17135396   0.87420589
 H   -0.23226654   2.12956555   0.11917814
 C   -2.48747499   2.70847814  -1.27389028
 H   -1.03893408   1.36199440  -2.16147976
 H   -2.40608738   0.54534578  -1.37643583
 H   -3.17465833   2.70416547  -2.14778635
 H   -3.12550519   2.74129283  -0.37227205
 N   -1.57239854   3.85868528  -1.21721494
 H   -1.12867777   3.97926362  -2.13452272
 H   -2.11058512   4.71621888  -1.05868697
 20
 Energy -2240.594134587  Dipole 5.069941 Gradient 0.00079528
 C    0.00000000   0.00000000   0.00000000
 C    1.34911591   0.00000000   0.00000000
 S    2.28596452  -1.52655883  -0.04482877
 S    2.57540961  -2.08962285   1.93663145
 S    0.73265078  -2.08422728   3.07809118
 S   -1.13765172  -2.10751505   1.93424038
 S   -0.83934401  -1.62362549  -0.04209910
 H    1.90687971   0.94296551   0.00000000
 C   -0.85387265   1.22919328  -0.00349888
 C   -1.70054242   1.39052701  -1.27994050
 H   -1.52987524   1.17523678   0.87108918
 H   -0.22957675   2.13036576   0.11548598
 C   -2.48523171   2.70943951  -1.27687893
 H   -1.03697393   1.36236200  -2.16431367
 H   -2.40430364   0.54614935  -1.37888454
 H   -3.17228791   2.70541284  -2.15087566
 H   -3.12339053   2.74231902  -0.37535286
 N   -1.56985825   3.85942042  -1.21996748
 H   -1.12599519   3.97999678  -2.13720148
 H   -2.10789323   4.71706835  -1.06146117
 20
 Energy -2240.595239707  Dipole 5.015638 Gradient 0.00151703
 C    0.00000000   0.00000000   0.00000000
 C    1.34952089   0.00000000   0.00000000
 S    2.29117483  -1.52121223  -0.05503642
 S    2.57214325  -2.12223467   1.92628030
 S    0.73741272  -2.05078273   3.05744084
 S   -1.13379391  -2.13429780   1.92597838
 S   -0.84222802  -1.62057323  -0.04942545
 H    1.90468910   0.94453088   0.00000000
 C   -0.85187340   1.23089489  -0.00555665
 C   -1.69816548   1.39233687  -1.28240774
 H   -1.52864179   1.17945453   0.86847479
 H   -0.22602885   2.13109651   0.11238508
 C   -2.48255837   2.71145522  -1.27910188
 H   -1.03449538   1.36399700  -2.16669748
 H   -2.40208345   0.54808645  -1.38128101
 H   -3.16949792   2.70784953  -2.15319132
 H   -3.12082939   2.74409385  -0.37764083
 N   -1.56700500   3.86127025  -1.22158962
 H   -1.12296360   3.98201959  -2.13872512
 H   -2.10490687   4.71896503  -1.06294589
 20
 Energy -2240.596683921  Dipole 4.955733 Gradient 0.00215110
 C    0.00000000   0.00000000   0.00000000
 C    1.35000684   0.00000000   0.00000000
 S    2.29752529  -1.51486657  -0.06428444
 S    2.56754363  -2.15177347   1.91842351
 S    0.74263333  -2.01406124   3.03643158
 S   -1.12890075  -2.15782462   1.91982406
 S   -0.84523197  -1.61724473  -0.05577609
 H    1.90209610   0.94643720   0.00000000
 C   -0.84962887   1.23286646  -0.00916276
 C   -1.69537847   1.39334557  -1.28669987
 H   -1.52729948   1.18532670   0.86429887
 H   -0.22203237   2.13211213   0.10691986
 C   -2.47954416   2.71266179  -1.28452316
 H   -1.03136339   1.36418192  -2.17069367
 H   -2.39938953   0.54914120  -1.38491283
 H   -3.16618321   2.70855720  -2.15885454
 H   -3.11816007   2.74596340  -0.38332465
 N   -1.56395158   3.86247951  -1.22746962
 H   -1.11957416   3.98262130  -2.14451107
 H   -2.10192706   4.72030186  -1.06963669
 20
 Energy -2240.598414933  Dipole 4.891050 Gradient 0.00266893
 C    0.00000000   0.00000000   0.00000000
 C    1.35054301   0.00000000   0.00000000
 S    2.30499553  -1.50753430  -0.07432190
 S    2.56228524  -2.17975294   1.91041590
 S    0.74934211  -1.97658493   3.01365552
 S   -1.12225701  -2.17955334   1.91460894
 S   -0.84838159  -1.61366941  -0.06194528
 H    1.89943679   0.94834826   0.00000000
 C   -0.84712595   1.23513533  -0.01263723
 C   -1.69254248   1.39457481  -1.29079705
 H   -1.52551146   1.19167451   0.86034667
 H   -0.21739604   2.13316355   0.10123130
 C   -2.47660027   2.71403911  -1.28989196
 H   -1.02847310   1.36419217  -2.17467056
 H   -2.39675476   0.55038982  -1.38785385
 H   -3.16314817   2.70911921  -2.16429555
 H   -3.11533412   2.74805310  -0.38880227
 N   -1.56113635   3.86401142  -1.23369045
 H   -1.11664869   3.98332122  -2.15080404
 H   -2.09923062   4.72190583  -1.07677590
 20
 Energy -2240.600323236  Dipole 4.822832 Gradient 0.00305629
 C    0.00000000   0.00000000   0.00000000
 C    1.35115657   0.00000000   0.00000000
 S    2.31350917  -1.49940568  -0.08405237
 S    2.55610843  -2.20485129   1.90372068
 S    0.75703136  -1.93627895   2.99062313
 S   -1.11414836  -2.19793083   1.91161340
 S   -0.85177547  -1.60984184  -0.06698810
 H    1.89652132   0.95055240   0.00000000
 C   -0.84431179   1.23771792  -0.01701153
 C   -1.68954388   1.39517399  -1.29583590
 H   -1.52319713   1.19964200   0.85574261
 H   -0.21217049   2.13447774   0.09336110
 C   -2.47344773   2.71483195  -1.29739195
 H   -1.02538656   1.36284487  -2.17955841
 H   -2.39401103   0.55104075  -1.39108776
 H   -3.15995860   2.70823778  -2.17183030
 H   -3.11228718   2.75045628  -0.39643200
 N   -1.55819800   3.86508034  -1.24327759
 H   -1.11367603   3.98279842  -2.16056003
 H   -2.09653908   4.72316544  -1.08804562
 20
 Energy -2240.602345728  Dipole 4.751875 Gradient 0.00329737
 C    0.00000000   0.00000000   0.00000000
 C    1.35182156   0.00000000   0.00000000
 S    2.32306835  -1.49056160  -0.09301344
 S    2.54868613  -2.22696098   1.89862694
 S    0.76487404  -1.89306881   2.96765304
 S   -1.10490636  -2.21287301   1.91053688
 S   -0.85535109  -1.60587420  -0.07113468
 H    1.89356720   0.95270629   0.00000000
 C   -0.84124614   1.24050219  -0.02244812
 C   -1.68599758   1.39509738  -1.30224424
 H   -1.52080153   1.20846958   0.84990995
 H   -0.20650911   2.13584294   0.08441870
 C   -2.46983875   2.71487074  -1.30775000
 H   -1.02151085   1.36023362  -2.18562576
 H   -2.39060298   0.55082195  -1.39546189
 H   -3.15598708   2.70553402  -2.18243879
 H   -3.10923525   2.75300353  -0.40729366
 N   -1.55493554   3.86557539  -1.25670284
 H   -1.10997036   3.98038553  -2.17418362
 H   -2.09377690   4.72391828  -1.10487833
 20
 Energy -2240.604382582  Dipole 4.678837 Gradient 0.00340792
 C    0.00000000   0.00000000   0.00000000
 C    1.35250968   0.00000000   0.00000000
 S    2.33348362  -1.48114888  -0.10203110
 S    2.54068885  -2.24635064   1.89378626
 S    0.77379689  -1.84734524   2.94463303
 S   -1.09378245  -2.22441267   1.91191109
 S   -0.85924041  -1.60172986  -0.07398283
 H    1.89047035   0.95501844   0.00000000
 C   -0.83807788   1.24344978  -0.02792398
 C   -1.68234260   1.39461454  -1.30881159
 H   -1.51837713   1.21755157   0.84399276
 H   -0.20074486   2.13739493   0.07517296
 C   -2.46624093   2.71442889  -1.31920141
 H   -1.01754572   1.35658034  -2.19181674
 H   -2.38708833   0.55018775  -1.39927921
 H   -3.15231907   2.70179373  -2.19396506
 H   -3.10573577   2.75577683  -0.41895841
 N   -1.55175427   3.86567691  -1.27247817
 H   -1.10620268   3.97652883  -2.19014919
 H   -2.09119981   4.72446967  -1.12510588
 20
 Energy -2240.60637201  Dipole 4.606459 Gradient 0.00337874
 C    0.00000000   0.00000000   0.00000000
 C    1.35321618   0.00000000   0.00000000
 S    2.34469547  -1.47127701  -0.11071960
 S    2.53225742  -2.26223554   1.88968583
 S    0.78376852  -1.79799122   2.92222079
 S   -1.08062650  -2.23152203   1.91667021
 S   -0.86347833  -1.59740951  -0.07492756
 H    1.88721965   0.95734575   0.00000000
 C   -0.83472563   1.24654109  -0.03382942
 C   -1.67863123   1.39327120  -1.31583390
 H   -1.51544266   1.22773722   0.83779253
 H   -0.19443758   2.13888061   0.06437669
 C   -2.46254117   2.71314886  -1.33245922
 H   -1.01370692   1.35104516  -2.19853994
 H   -2.38366731   0.54867419  -1.40266216
 H   -3.14911313   2.69569594  -2.20678450
 H   -3.10153736   2.75886392  -0.43207169
 N   -1.54847664   3.86492832  -1.29204779
 H   -1.10306466   3.97099030  -2.21034492
 H   -2.08814406   4.72429377  -1.14904971
 20
 Energy -2240.608241485  Dipole 4.536082 Gradient 0.00323294
 C    0.00000000   0.00000000   0.00000000
 C    1.35394529   0.00000000   0.00000000
 S    2.35645812  -1.46118522  -0.11819087
 S    2.52277248  -2.27438627   1.88708000
 S    0.79358912  -1.74460233   2.90082382
 S   -1.06613970  -2.23366822   1.92479664
 S   -0.86816646  -1.59285385  -0.07407462
 H    1.88394366   0.95977403   0.00000000
 C   -0.83113302   1.24974380  -0.04050774
 C   -1.67441099   1.39093342  -1.32388391
 H   -1.51231640   1.23896841   0.83078765
 H   -0.18781019   2.14050960   0.05206572
 C   -2.45818139   2.71087898  -1.34852701
 H   -1.00903474   1.34363309  -2.20601644
 H   -2.37975142   0.54619241  -1.40653627
 H   -3.14531703   2.68733089  -2.22229917
 H   -3.09668235   2.76242072  -0.44809853
 N   -1.54447509   3.86316512  -1.31639477
 H   -1.09981599   3.96340915  -2.23568679
 H   -2.08430449   4.72329360  -1.17852730
 20
 Energy -2240.609934748  Dipole 4.467749 Gradient 0.00298852
 C    0.00000000   0.00000000   0.00000000
 C    1.35466411   0.00000000   0.00000000
 S    2.36841347  -1.45117894  -0.12458477
 S    2.51221479  -2.28319417   1.88546629
 S    0.80325039  -1.68767918   2.88033874
 S   -1.05034626  -2.23071209   1.93641363
 S   -0.87349421  -1.58795499  -0.07130776
 H    1.88072103   0.96205288   0.00000000
 C   -0.82735912   1.25301862  -0.04716636
 C   -1.66966117   1.38806759  -1.33217506
 H   -1.50906757   1.25043409   0.82367567
 H   -0.18092530   2.14205786   0.03967845
 C   -2.45308941   2.70803454  -1.36635495
 H   -1.00363365   1.33467026  -2.21346267
 H   -2.37538327   0.54311314  -1.41007648
 H   -3.14094700   2.67746721  -2.23937977
 H   -3.09091047   2.76665018  -0.46588652
 N   -1.53949472   3.86062432  -1.34417036
 H   -1.09555717   3.95352471  -2.26457266
 H   -2.07939132   4.72172150  -1.21284164
 20
 Energy -2240.611419599  Dipole 4.402083 Gradient 0.00265942
 C    0.00000000   0.00000000   0.00000000
 C    1.35535611   0.00000000   0.00000000
 S    2.38052009  -1.44117842  -0.12955532
 S    2.50057839  -2.28815599   1.88527197
 S    0.81265636  -1.62693054   2.86102164
 S   -1.03335319  -2.22217965   1.95161276
 S   -0.87932248  -1.58285622  -0.06654268
 H    1.87739897   0.96443145   0.00000000
 C   -0.82352763   1.25621020  -0.05371229
 C   -1.66448428   1.38416153  -1.34057325
 H   -1.50580109   1.26195308   0.81659615
 H   -0.17391639   2.14348825   0.02715657
 C   -2.44719924   2.70423946  -1.38611964
 H   -0.99763109   1.32343017  -2.22075695
 H   -2.37096359   0.53938115  -1.41288138
 H   -3.13574142   2.66560321  -2.25832045
 H   -3.08446699   2.77143257  -0.48584670
 N   -1.53355903   3.85691837  -1.37561684
 H   -1.09009261   3.94073517  -2.29712415
 H   -2.07345841   4.71927502  -1.25262531
 20
 Energy -2240.612647678  Dipole 4.339988 Gradient 0.00226999
 C    0.00000000   0.00000000   0.00000000
 C    1.35600734   0.00000000   0.00000000
 S    2.39257131  -1.43140990  -0.13242447
 S    2.48695662  -2.28937448   1.88719538
 S    0.82089366  -1.56248330   2.84301283
 S   -1.01643551  -2.20735506   1.96988179
 S   -0.88565155  -1.57746688  -0.06009630
 H    1.87407581   0.96670789   0.00000000
 C   -0.81954511   1.25929988  -0.06000912
 C   -1.65832834   1.37957100  -1.34918833
 H   -1.50267004   1.27330085   0.80942479
 H   -0.16693000   2.14488355   0.01487898
 C   -2.43959782   2.69991425  -1.40812191
 H   -0.99004449   1.31026995  -2.22766680
 H   -2.36588979   0.53518071  -1.41570835
 H   -3.12859950   2.65232120  -2.27955573
 H   -3.07649363   2.77728632  -0.50839696
 N   -1.52535289   3.85212396  -1.41073790
 H   -1.08181828   3.92488551  -2.33316296
 H   -2.06492604   4.71605995  -1.29790105
 20
 Energy -2240.613601884  Dipole 4.281438 Gradient 0.00181990
 C    0.00000000   0.00000000   0.00000000
 C    1.35658124   0.00000000   0.00000000
 S    2.40426375  -1.42210236  -0.13261924
 S    2.47028515  -2.28730207   1.89184282
 S    0.82710428  -1.49479527   2.82675316
 S   -1.00123036  -2.18497590   1.99104888
 S   -0.89246043  -1.57180543  -0.05232304
 H    1.87090512   0.96886240   0.00000000
 C   -0.81553459   1.26220224  -0.06537175
 C   -1.65048261   1.37526764  -1.35771655
 H   -1.50053534   1.28321759   0.80234239
 H   -0.16013439   2.14608669   0.00522576
 C   -2.42913909   2.69620359  -1.43157121
 H   -0.97972549   1.29678405  -2.23353501
 H   -2.35948235   0.53167920  -1.41910297
 H   -3.11834824   2.63937043  -2.30233191
 H   -3.06587609   2.78538354  -0.53280880
 N   -1.51293123   3.84666313  -1.44816789
 H   -1.06840411   3.90655605  -2.37104124
 H   -2.05126000   4.71288425  -1.34732065
 20
 Energy -2240.614274763  Dipole 4.228929 Gradient 0.00135807
 C    0.00000000   0.00000000   0.00000000
 C    1.35703735   0.00000000   0.00000000
 S    2.41548677  -1.41322484  -0.12923850
 S    2.44863583  -2.28267509   1.90009906
 S    0.82982178  -1.42529187   2.81333104
 S   -0.99150742  -2.15334931   2.01385085
 S   -0.89883018  -1.56651055  -0.04378777
 H    1.86772332   0.97091091   0.00000000
 C   -0.81176578   1.26466114  -0.06871008
 C   -1.64039198   1.37240120  -1.36546437
 H   -1.49982882   1.29033841   0.79632594
 H   -0.15419629   2.14704542   0.00029626
 C   -2.41382927   2.69510495  -1.45496789
 H   -0.96558812   1.28434503  -2.23727607
 H   -2.35194558   0.53073255  -1.42368207
 H   -3.10253238   2.63055028  -2.32563560
 H   -3.05103537   2.79739586  -0.55791621
 N   -1.49319798   3.84172308  -1.48468688
 H   -1.04636392   3.88731281  -2.40727491
 H   -2.02867029   4.71117532  -1.39721609
 20
 Energy -2240.614701195  Dipole 4.184405 Gradient 0.00090033
 C    0.00000000   0.00000000   0.00000000
 C    1.35729818   0.00000000   0.00000000
 S    2.42575157  -1.40525525  -0.12042760
 S    2.41723488  -2.27965411   1.91255221
 S    0.82394525  -1.36276941   2.80500232
 S   -0.99691077  -2.11206960   2.03315447
 S   -0.90300765  -1.56299514  -0.03729725
 H    1.86484581   0.97267394   0.00000000
 C   -0.80868082   1.26646463  -0.06831916
 C   -1.62689187   1.37492376  -1.37138164
 H   -1.50241914   1.29159907   0.79210878
 H   -0.14994977   2.14759117   0.00566713
 C   -2.38995000   2.70225062  -1.47458031
 H   -0.94588682   1.27781617  -2.23738377
 H   -2.34347388   0.53765760  -1.43112472
 H   -3.07558558   2.63549194  -2.34753174
 H   -3.02996470   2.81714314  -0.58104269
 N   -1.46019683   3.84128330  -1.51049612
 H   -1.00553347   3.87173181  -2.42992648
 H   -1.98980511   4.71580257  -1.43878313
 20
 Energy -2240.61500695  Dipole 4.157397 Gradient 0.00058454
 C    0.00000000   0.00000000   0.00000000
 C    1.35734510   0.00000000   0.00000000
 S    2.43395789  -1.39888619  -0.10748411
 S    2.37551582  -2.28473157   1.92524693
 S    0.80676470  -1.32247610   2.80352791
 S   -1.02327457  -2.06801099   2.04237075
 S   -0.90288999  -1.56284695  -0.03576217
 H    1.86279929   0.97384492   0.00000000
 C   -0.80695097   1.26733371  -0.06306744
 C   -1.61171331   1.38589911  -1.37337689
 H   -1.50817357   1.28592402   0.79136372
 H   -0.14811379   2.14725336   0.02354607
 C   -2.35883797   2.72149649  -1.48325483
 H   -0.92320067   1.28307230  -2.23285386
 H   -2.33577840   0.55584450  -1.44156721
 H   -3.03812203   2.66202830  -2.36168906
 H   -3.00460459   2.84486167  -0.59499813
 N   -1.41515107   3.84927484  -1.51275127
 H   -0.94963700   3.87021112  -2.42704175
 H   -1.93507768   4.73035124  -1.45102272
 20
 Energy -2240.615298759  Dipole 4.149157 Gradient 0.00048858
 C    0.00000000   0.00000000   0.00000000
 C    1.35727089   0.00000000   0.00000000
 S    2.44036493  -1.39360128  -0.09367624
 S    2.32818675  -2.29986244   1.93336913
 S    0.78269584  -1.30679931   2.80705931
 S   -1.06333055  -2.02906906   2.04076984
 S   -0.89930514  -1.56533667  -0.03824556
 H    1.86153805   0.97452598   0.00000000
 C   -0.80638094   1.26749340  -0.05495875
 C   -1.59782216   1.40289468  -1.37150944
 H   -1.51492806   1.27627764   0.79358841
 H   -0.14806159   2.14615097   0.04764217
 C   -2.32685112   2.74864576  -1.47927487
 H   -0.90232284   1.29794932  -2.22508286
 H   -2.33054010   0.58174816  -1.45237143
 H   -2.99893682   2.70397869  -2.36404911
 H   -2.97878801   2.87516197  -0.59597623
 N   -1.36777121   3.86370917  -1.49332981
 H   -0.89563548   3.88569902  -2.40415965
 H   -1.87569565   4.75142408  -1.42738803
 20
 Energy -2240.6156047  Dipole 4.140538 Gradient 0.00049929
 C    0.00000000   0.00000000   0.00000000
 C    1.35717480   0.00000000   0.00000000
 S    2.44655779  -1.38819250  -0.08004422
 S    2.27873461  -2.32161266   1.93615857
 S    0.75725741  -1.30448839   2.81228354
 S   -1.10680661  -1.99463195   2.03389267
 S   -0.89494216  -1.56835926  -0.04210370
 H    1.86056164   0.97502441   0.00000000
 C   -0.80616691   1.26748403  -0.04604740
 C   -1.58564634   1.42177492  -1.36749624
 H   -1.52149537   1.26572263   0.79686671
 H   -0.14851431   2.14458575   0.07318125
 C   -2.29740904   2.77736905  -1.46855648
 H   -0.88431788   1.31697384  -2.21628968
 H   -2.32669567   0.60969755  -1.46196327
 H   -2.96294241   2.74964004  -2.35890422
 H   -2.95462190   2.90411382  -0.58920278
 N   -1.32416242   3.88035685  -1.46470457
 H   -0.84666755   3.90678566  -2.37260807
 H   -1.82112605   4.77365178  -1.39118153
 20
 Energy -2240.615931583  Dipole 4.124133 Gradient 0.00052761
 C    0.00000000   0.00000000   0.00000000
 C    1.35709049   0.00000000   0.00000000
 S    2.45295947  -1.38242535  -0.06710521
 S    2.22884405  -2.34728440   1.93378788
 S    0.73318620  -1.30846136   2.81770263
 S   -1.14941741  -1.96234763   2.02524966
 S   -0.89077690  -1.57108396  -0.04551309
 H    1.85968005   0.97549203   0.00000000
 C   -0.80596200   1.26753210  -0.03676979
 C   -1.57495145   1.44081822  -1.36185073
 H   -1.52702137   1.25573101   0.80122152
 H   -0.14879068   2.14268423   0.09858311
 C   -2.27120081   2.80515647  -1.45452988
 H   -0.86880336   1.33711040  -2.20677908
 H   -2.32346020   0.63733725  -1.46950977
 H   -2.93052995   2.79392908  -2.34979100
 H   -2.93317255   2.93064750  -0.57858682
 N   -1.28553443   3.89698820  -1.43279169
 H   -0.80135105   3.92704771  -2.33702347
 H   -1.77275946   4.79513119  -1.35355027
 20
 Energy -2240.616292779  Dipole 4.104709 Gradient 0.00056006
 C    0.00000000   0.00000000   0.00000000
 C    1.35699008   0.00000000   0.00000000
 S    2.45962562  -1.37627316  -0.05445364
 S    2.17936736  -2.37531211   1.92663996
 S    0.71106394  -1.31746389   2.82356339
 S   -1.18982806  -1.93215074   2.01561765
 S   -0.88684891  -1.57358465  -0.04820456
 H    1.85886830   0.97588073   0.00000000
 C   -0.80577390   1.26759622  -0.02777371
 C   -1.56498318   1.45898543  -1.35581041
 H   -1.53186203   1.24654630   0.80572076
 H   -0.14893828   2.14065389   0.12194993
 C   -2.24810156   2.83078732  -1.43951167
 H   -0.85431796   1.35734002  -2.19723654
 H   -2.31978699   0.66334493  -1.47631318
 H   -2.89982238   2.83587349  -2.34033988
 H   -2.91614725   2.95294327  -0.56768857
 N   -1.25227917   3.91289010  -1.39690421
 H   -0.75994456   3.94840705  -2.29658604
 H   -1.73152370   4.81476989  -1.31176720
 20
 Energy -2240.616640405  Dipole 4.081240 Gradient 0.00060129
 C    0.00000000   0.00000000   0.00000000
 C    1.35685372   0.00000000   0.00000000
 S    2.46632200  -1.36992736  -0.04186666
 S    2.13025761  -2.40519252   1.91510935
 S    0.69061982  -1.33104010   2.82984433
 S   -1.22806909  -1.90355470   2.00548296
 S   -0.88334358  -1.57566201  -0.05019843
 H    1.85816065   0.97624245   0.00000000
 C   -0.80566017   1.26752907  -0.01867377
 C   -1.55618051   1.47704312  -1.34872543
 H   -1.53648742   1.23698297   0.81045663
 H   -0.14943701   2.13837522   0.14619770
 C   -2.22711755   2.85541951  -1.42177347
 H   -0.84182005   1.37826213  -2.18733032
 H   -2.31661456   0.68881279  -1.48169969
 H   -2.87227550   2.87636307  -2.32706911
 H   -2.90024862   2.97375033  -0.55337785
 N   -1.22238393   3.92844056  -1.36023288
 H   -0.72311797   3.96969135  -2.25579389
 H   -1.69456560   4.83340538  -1.26857114
 20
 Energy -2240.617036705  Dipole 4.054242 Gradient 0.00063765
 C    0.00000000   0.00000000   0.00000000
 C    1.35670741   0.00000000   0.00000000
 S    2.47300359  -1.36353385  -0.02920763
 S    2.08174086  -2.43620671   1.89956707
 S    0.67205368  -1.34814354   2.83642379
 S   -1.26402035  -1.87628289   1.99533274
 S   -0.88022516  -1.57742637  -0.05134546
 H    1.85765995   0.97642632   0.00000000
 C   -0.80564234   1.26737617  -0.00911195
 C   -1.54931308   1.49491645  -1.33979118
 H   -1.54005991   1.22740756   0.81649489
 H   -0.14989814   2.13580462   0.16966536
 C   -2.20852439   2.87962229  -1.40095434
 H   -0.83261133   1.39905382  -2.17671796
 H   -2.31560533   0.71437775  -1.48376187
 H   -2.85050763   2.91561876  -2.30802401
 H   -2.88338313   2.99480963  -0.53344399
 N   -1.19479186   3.94331772  -1.32507451
 H   -0.69221861   3.98948727  -2.21855127
 H   -1.65939934   4.85135272  -1.22543978
 20
 Energy -2240.617453393  Dipole 4.026158 Gradient 0.00067849
 C    0.00000000   0.00000000   0.00000000
 C    1.35652577   0.00000000   0.00000000
 S    2.47980207  -1.35694432  -0.01638909
 S    2.03432466  -2.46779222   1.87999782
 S    0.65534625  -1.36909163   2.84315515
 S   -1.29727632  -1.85097358   1.98499071
 S   -0.87736674  -1.57893836  -0.05199454
 H    1.85718296   0.97664269   0.00000000
 C   -0.80541369   1.26742164   0.00051968
 C   -1.54386486   1.51228428  -1.32973239
 H   -1.54209978   1.21914816   0.82376936
 H   -0.14939375   2.13320576   0.19100184
 C   -2.19233621   2.90267694  -1.37855292
 H   -0.82543201   1.41976633  -2.16556552
 H   -2.31533900   0.73890663  -1.48416868
 H   -2.83116606   2.95351404  -2.28708406
 H   -2.86885201   3.01413824  -0.51185111
 N   -1.17040638   3.95751808  -1.28830013
 H   -0.66511841   4.00957886  -2.17991108
 H   -1.62813884   4.86799715  -1.17980553
 20
 Energy -2240.617898036  Dipole 3.996362 Gradient 0.00071684
 C    0.00000000   0.00000000   0.00000000
 C    1.35631649   0.00000000   0.00000000
 S    2.48666656  -1.35015723  -0.00311688
 S    1.98804834  -2.49953522   1.85692271
 S    0.64015053  -1.39373213   2.84990427
 S   -1.32807969  -1.82772949   1.97457157
 S   -0.87489223  -1.58025516  -0.05228987
 H    1.85663200   0.97683892   0.00000000
 C   -0.80529351   1.26734176   0.01003461
 C   -1.53945624   1.52917782  -1.31905422
 H   -1.54408135   1.21042015   0.83097994
 H   -0.14950174   2.13046426   0.21276773
 C   -2.17830487   2.92449180  -1.35468950
 H   -0.82003999   1.44051212  -2.15446121
 H   -2.31567212   0.76256213  -1.48301335
 H   -2.81432624   2.98988008  -2.26425712
 H   -2.85628659   3.03153894  -0.48855912
 N   -1.14909395   3.97105341  -1.25037370
 H   -0.64127311   4.02940883  -2.14015847
 H   -1.60057858   4.88353515  -1.13272030
 20
 Energy -2240.618365544  Dipole 3.966536 Gradient 0.00075984
 C    0.00000000   0.00000000   0.00000000
 C    1.35608096   0.00000000   0.00000000
 S    2.49346992  -1.34340725   0.01073481
 S    1.94287130  -2.53098961   1.83071430
 S    0.62623863  -1.42163410   2.85657975
 S   -1.35673646  -1.80615683   1.96432570
 S   -0.87294986  -1.58124915  -0.05223518
 H    1.85630531   0.97696067   0.00000000
 C   -0.80509511   1.26725888   0.01944904
 C   -1.53583210   1.54573635  -1.30784904
 H   -1.54522135   1.20278017   0.83876604
 H   -0.14903862   2.12765511   0.23292802
 C   -2.16585792   2.94546153  -1.32977459
 H   -0.81583025   1.46126682  -2.14318842
 H   -2.31657137   0.78571623  -1.48086725
 H   -2.79943555   3.02527013  -2.23986334
 H   -2.84495825   3.04730458  -0.46391196
 N   -1.13006691   3.98415713  -1.21152789
 H   -0.62020805   4.04939951  -2.09966088
 H   -1.57585729   4.89812581  -1.08427210
 20
 Energy -2240.618861499  Dipole 3.937725 Gradient 0.00079567
 C    0.00000000   0.00000000   0.00000000
 C    1.35576807   0.00000000   0.00000000
 S    2.50015289  -1.33654924   0.02492523
 S    1.89939860  -2.56195166   1.80124623
 S    0.61414048  -1.45291211   2.86307786
 S   -1.38275156  -1.78653601   1.95453843
 S   -0.87152513  -1.58189979  -0.05175835
 H    1.85585082   0.97705355   0.00000000
 C   -0.80495710   1.26730476   0.02905692
 C   -1.53325275   1.56183134  -1.29581914
 H   -1.54603114   1.19425358   0.84708260
 H   -0.14889901   2.12498836   0.25291204
 C   -2.15532130   2.96534548  -1.30343464
 H   -0.81314385   1.48211271  -2.13155503
 H   -2.31809087   0.80804511  -1.47739527
 H   -2.78642102   3.05922825  -2.21385184
 H   -2.83573362   3.06157590  -0.43793853
 N   -1.11368539   3.99665887  -1.17135629
 H   -0.60190800   4.06931555  -2.05782025
 H   -1.55435485   4.91168287  -1.03405624
 20
 Energy -2240.619357638  Dipole 3.908920 Gradient 0.00083186
 C    0.00000000   0.00000000   0.00000000
 C    1.35549108   0.00000000   0.00000000
 S    2.50652954  -1.33005686   0.03881727
 S    1.85800977  -2.59235814   1.76851655
 S    0.60448328  -1.48767828   2.86927952
 S   -1.40586829  -1.76868528   1.94558308
 S   -0.87059557  -1.58236639  -0.05068294
 H    1.85566957   0.97710693   0.00000000
 C   -0.80496823   1.26689655   0.03905433
 C   -1.53155420   1.57783104  -1.28260420
 H   -1.54646549   1.18547466   0.85586513
 H   -0.14882700   2.12169543   0.27359103
 C   -2.14672893   2.98445584  -1.27496539
 H   -0.81176559   1.50355936  -2.11910875
 H   -2.32006388   0.82993010  -1.47246097
 H   -2.77644839   3.09245279  -2.18476734
 H   -2.82727293   3.07408500  -0.40887869
 N   -1.09982658   4.00876256  -1.12966704
 H   -0.58659480   4.08900777  -2.01462880
 H   -1.53592471   4.92438925  -0.98234562
 20
 Energy -2240.619874962  Dipole 3.882369 Gradient 0.00085839
 C    0.00000000   0.00000000   0.00000000
 C    1.35515622   0.00000000   0.00000000
 S    2.51246022  -1.32382398   0.05293603
 S    1.81836295  -2.62149842   1.73380534
 S    0.59653969  -1.52520155   2.87515018
 S   -1.42680870  -1.75191105   1.93744449
 S   -0.87023413  -1.58264299  -0.04913173
 H    1.85555517   0.97702542   0.00000000
 C   -0.80480166   1.26660053   0.04862658
 C   -1.53072063   1.59328611  -1.26920653
 H   -1.54627908   1.17761859   0.86480434
 H   -0.14833744   2.11847931   0.29250643
 C   -2.13986171   3.00243627  -1.24561535
 H   -0.81178698   1.52507992  -2.10696587
 H   -2.32255716   0.85090592  -1.46674344
 H   -2.76892293   3.12411765  -2.15416196
 H   -2.82000339   3.08507348  -0.37852428
 N   -1.08829198   4.02026433  -1.08812030
 H   -0.57438866   4.10842614  -1.97195559
 H   -1.52022794   4.93613296  -0.93025369
 20
 Energy -2240.620425111  Dipole 3.859288 Gradient 0.00086525
 C    0.00000000   0.00000000   0.00000000
 C    1.35474849   0.00000000   0.00000000
 S    2.51839125  -1.31739949   0.06655867
 S    1.78122125  -2.64953636   1.69661818
 S    0.59089488  -1.56614805   2.88057395
 S   -1.44523167  -1.73733061   1.93004670
 S   -0.87044044  -1.58273864  -0.04733698
 H    1.85521876   0.97709255   0.00000000
 C   -0.80452574   1.26640226   0.05818782
 C   -1.53120819   1.60791098  -1.25506442
 H   -1.54503901   1.17017630   0.87458122
 H   -0.14745796   2.11550745   0.31003963
 C   -2.13520990   3.01900271  -1.21521965
 H   -0.81387217   1.54601999  -2.09469496
 H   -2.32612532   0.87059474  -1.45925382
 H   -2.76394706   3.15392210  -2.12206105
 H   -2.81476724   3.09414309  -0.34699728
 N   -1.07964021   4.03095113  -1.04595494
 H   -0.56587809   4.12782809  -1.92894850
 H   -1.50805635   4.94642270  -0.87681837
 20
 Energy -2240.620916731  Dipole 3.839534 Gradient 0.00089617
 C    0.00000000   0.00000000   0.00000000
 C    1.35438854   0.00000000   0.00000000
 S    2.52354336  -1.31165710   0.08066287
 S    1.74644102  -2.67595271   1.65836640
 S    0.58645917  -1.60980206   2.88562751
 S   -1.46166890  -1.72369462   1.92406114
 S   -0.87149911  -1.58257720  -0.04474683
 H    1.85483522   0.97714576   0.00000000
 C   -0.80434437   1.26605279   0.06699732
 C   -1.53282536   1.62134611  -1.24117144
 H   -1.54342200   1.16309881   0.88399788
 H   -0.14682757   2.11259600   0.32604777
 C   -2.13260807   3.03376581  -1.18498516
 H   -0.81761147   1.56598023  -2.08306417
 H   -2.33042563   0.88853373  -1.45106842
 H   -2.76195851   3.18136380  -2.08941021
 H   -2.81081632   3.10101979  -0.31505085
 N   -1.07363335   4.04043403  -1.00501743
 H   -0.56056292   4.14618611  -1.88740757
 H   -1.49898719   4.95517388  -0.82448765
 20
 Energy -2240.621429808  Dipole 3.823419 Gradient 0.00086347
 C    0.00000000   0.00000000   0.00000000
 C    1.35401844   0.00000000   0.00000000
 S    2.52835772  -1.30616167   0.09389305
 S    1.71465777  -2.70235077   1.61717678
 S    0.58369204  -1.65863771   2.88847628
 S   -1.47555134  -1.71305870   1.91794316
 S   -0.87287491  -1.58223001  -0.04298216
 H    1.85478257   0.97710779   0.00000000
 C   -0.80432424   1.26552024   0.07635931
 C   -1.53564527   1.63431101  -1.22611247
 H   -1.54144785   1.15542367   0.89438996
 H   -0.14649915   2.10973736   0.34218698
 C   -2.13267181   3.04718279  -1.15241697
 H   -0.82301705   1.58669963  -2.07067021
 H   -2.33530238   0.90529817  -1.44151901
 H   -2.76299456   3.20720182  -2.05397640
 H   -2.80927232   3.10535331  -0.28056288
 N   -1.07118905   4.04938374  -0.96181155
 H   -0.55951784   4.16508440  -1.84375813
 H   -1.49429883   4.96266754  -0.76911662
 20
 Energy -2240.621935026  Dipole 3.810375 Gradient 0.00084551
 C    0.00000000   0.00000000   0.00000000
 C    1.35363461   0.00000000   0.00000000
 S    2.53311288  -1.30077658   0.10605706
 S    1.68598683  -2.72805897   1.57442808
 S    0.58318816  -1.71109787   2.89003288
 S   -1.48677439  -1.70509479   1.91261420
 S   -0.87478068  -1.58168948  -0.04141835
 H    1.85455410   0.97708673   0.00000000
 C   -0.80427817   1.26493862   0.08556551
 C   -1.53981547   1.64585592  -1.21058048
 H   -1.53859380   1.14841793   0.90536605
 H   -0.14589747   2.10698656   0.35670544
 C   -2.13548606   3.05837873  -1.11975817
 H   -0.83027975   1.60633961  -2.05816172
 H   -2.34089477   0.91975450  -1.43052647
 H   -2.76700544   3.22990655  -2.01832125
 H   -2.81055381   3.10675258  -0.24608165
 N   -1.07258037   4.05719084  -0.91879799
 H   -0.56244180   4.18326167  -1.80020786
 H   -1.49439566   4.96846258  -0.71406596
 20
 Energy -2240.622408951  Dipole 3.800490 Gradient 0.00081216
 C    0.00000000   0.00000000   0.00000000
 C    1.35323485   0.00000000   0.00000000
 S    2.53731907  -1.29578404   0.11741649
 S    1.66058618  -2.75219289   1.53187595
 S    0.58472337  -1.76515262   2.89053247
 S   -1.49554222  -1.69817209   1.90911231
 S   -0.87757499  -1.58074745  -0.03909193
 H    1.85417435   0.97721653   0.00000000
 C   -0.80410495   1.26449378   0.09323992
 C   -1.54545549   1.65511105  -1.19630819
 H   -1.53484342   1.14280485   0.91569507
 H   -0.14504010   2.10493247   0.36765089
 C   -2.14116446   3.06658628  -1.08945997
 H   -0.83989230   1.62343053  -2.04754893
 H   -2.34749874   0.93082179  -1.41896735
 H   -2.77479229   3.24791960  -1.98457262
 H   -2.81417888   3.10551956  -0.21373236
 N   -1.07783106   4.06327719  -0.87987032
 H   -0.56983604   4.19930342  -1.76103684
 H   -1.49929074   4.97211989  -0.66394427
 20
 Energy -2240.622860595  Dipole 3.793216 Gradient 0.00076774
 C    0.00000000   0.00000000   0.00000000
 C    1.35283772   0.00000000   0.00000000
 S    2.54142988  -1.29103232   0.12691851
 S    1.63890724  -2.77612545   1.48746445
 S    0.58817363  -1.82350183   2.88813345
 S   -1.50145054  -1.69480383   1.90588978
 S   -0.88072944  -1.57962606  -0.03763368
 H    1.85383391   0.97726500   0.00000000
 C   -0.80391076   1.26400499   0.10076320
 C   -1.55237003   1.66307662  -1.18164795
 H   -1.53027234   1.13785742   0.92657651
 H   -0.14407732   2.10313570   0.37715924
 C   -2.14979278   3.07254957  -1.05868636
 H   -0.85129412   1.63992894  -2.03684911
 H   -2.35452858   0.93952257  -1.40628049
 H   -2.78627189   3.26259204  -1.94995844
 H   -2.82019912   3.10125346  -0.18056824
 N   -1.08717851   4.06849803  -0.84143775
 H   -0.58214333   4.21501832  -1.72263875
 H   -1.50928851   4.97427750  -0.61421917
 20
 Energy -2240.623281579  Dipole 3.790400 Gradient 0.00073707
 C    0.00000000   0.00000000   0.00000000
 C    1.35246697   0.00000000   0.00000000
 S    2.54523411  -1.28663539   0.13465015
 S    1.62106177  -2.79913320   1.44303947
 S    0.59347316  -1.88375831   2.88375829
 S   -1.50422136  -1.69388032   1.90407585
 S   -0.88454723  -1.57826414  -0.03625283
 H    1.85333078   0.97748084   0.00000000
 C   -0.80397018   1.26343910   0.10722432
 C   -1.56063040   1.66845444  -1.16815248
 H   -1.52537758   1.13345967   0.93697226
 H   -0.14346956   2.10196237   0.38388513
 C   -2.16157238   3.07516504  -1.03043400
 H   -0.86441430   1.65378211  -2.02752467
 H   -2.36209366   0.94427876  -1.39354599
 H   -2.80163315   3.27198487  -1.91760362
 H   -2.82894477   3.09378967  -0.14974384
 N   -1.10086014   4.07198115  -0.80739032
 H   -0.60107847   4.23020761  -1.68954473
 H   -1.52450575   4.97369925  -0.56731544
 20
 Energy -2240.623714979  Dipole 3.788135 Gradient 0.00069233
 C    0.00000000   0.00000000   0.00000000
 C    1.35211598   0.00000000   0.00000000
 S    2.54888229  -1.28263478   0.14005033
 S    1.60725156  -2.82156036   1.39826238
 S    0.60102971  -1.94517955   2.87671948
 S   -1.50398340  -1.69592488   1.90290640
 S   -0.88841419  -1.57683628  -0.03542799
 H    1.85293822   0.97759097   0.00000000
 C   -0.80402109   1.26286991   0.11198200
 C   -1.57028873   1.67063461  -1.15613587
 H   -1.51951689   1.13108619   0.94675508
 H   -0.14267540   2.10143051   0.38631065
 C   -2.17651236   3.07383545  -1.00561572
 H   -0.87959958   1.66401857  -2.02006431
 H   -2.37017410   0.94439810  -1.38054041
 H   -2.82090543   3.27505405  -1.88865062
 H   -2.84042223   3.08281641  -0.12217520
 N   -1.11917182   4.07352880  -0.77865468
 H   -0.62351561   4.24089282  -1.66147139
 H   -1.54616168   4.97146380  -0.53036567
 20
 Energy -2240.624073281  Dipole 3.783509 Gradient 0.00066264
 C    0.00000000   0.00000000   0.00000000
 C    1.35177260   0.00000000   0.00000000
 S    2.55253135  -1.27865039   0.14431653
 S    1.59671320  -2.84321938   1.35397353
 S    0.60968419  -2.00718817   2.86721836
 S   -1.50139694  -1.70078039   1.90211198
 S   -0.89193999  -1.57539255  -0.03507651
 H    1.85249859   0.97779512   0.00000000
 C   -0.80412835   1.26246987   0.11639756
 C   -1.58071736   1.67073232  -1.14531622
 H   -1.51355936   1.12946415   0.95629662
 H   -0.14208452   2.10161509   0.38706696
 C   -2.19418265   3.06953127  -0.98440897
 H   -0.89571929   1.67148768  -2.01379966
 H   -2.37803320   0.94089415  -1.36733885
 H   -2.84292252   3.27248713  -1.86384536
 H   -2.85487428   3.06944993  -0.09849651
 N   -1.14165017   4.07378237  -0.75505396
 H   -0.64859699   4.24751847  -1.63811420
 H   -1.57300291   4.96837391  -0.50226607
 20
 Energy -2240.624429607  Dipole 3.780349 Gradient 0.00062168
 C    0.00000000   0.00000000   0.00000000
 C    1.35147757   0.00000000   0.00000000
 S    2.55619110  -1.27488421   0.14719366
 S    1.58917066  -2.86442993   1.30985755
 S    0.61932747  -2.06952246   2.85511291
 S   -1.49657421  -1.70828611   1.90171788
 S   -0.89548109  -1.57398967  -0.03511958
 H    1.85208784   0.97795623   0.00000000
 C   -0.80459587   1.26196058   0.12012166
 C   -1.59153073   1.66894656  -1.13539461
 H   -1.50781781   1.12822838   0.96528928
 H   -0.14210856   2.10206604   0.38656947
 C   -2.21389029   3.06275770  -0.96585994
 H   -0.91193927   1.67705972  -2.00808570
 H   -2.38526002   0.93440779  -1.35483078
 H   -2.86764963   3.26529847  -1.84169132
 H   -2.87090010   3.05399988  -0.07726207
 N   -1.16730658   4.07313764  -0.73602043
 H   -0.67901339   4.25434179  -1.62023146
 H   -1.60381428   4.96360180  -0.47749459
 20
 Energy -2240.624775984  Dipole 3.778309 Gradient 0.00058731
 C    0.00000000   0.00000000   0.00000000
 C    1.35117887   0.00000000   0.00000000
 S    2.55967282  -1.27132891   0.14900413
 S    1.58399066  -2.88467658   1.26644744
 S    0.62950806  -2.13091935   2.84092852
 S   -1.49000604  -1.71785572   1.90153607
 S   -0.89895298  -1.57250099  -0.03559104
 H    1.85171721   0.97816475   0.00000000
 C   -0.80510761   1.26151396   0.12203778
 C   -1.60254420   1.66489955  -1.12784341
 H   -1.50210412   1.12831448   0.97260963
 H   -0.14239676   2.10319778   0.38272277
 C   -2.23495697   3.05329826  -0.95139073
 H   -0.92841487   1.67984920  -2.00468123
 H   -2.39200588   0.92467965  -1.34379291
 H   -2.89401305   3.25353694  -1.82376036
 H   -2.88809119   3.03642750  -0.06005153
 N   -1.19544030   4.07119420  -0.72247882
 H   -0.71215830   4.25898487  -1.60807493
 H   -1.63808509   4.95736707  -0.45967265
 20
 Energy -2240.625105293  Dipole 3.776125 Gradient 0.00055565
 C    0.00000000   0.00000000   0.00000000
 C    1.35090939   0.00000000   0.00000000
 S    2.56307198  -1.26802947   0.14981270
 S    1.58022459  -2.90431278   1.22294505
 S    0.64006763  -2.19215154   2.82443747
 S   -1.48235952  -1.72961972   1.90076681
 S   -0.90197116  -1.57117741  -0.03673210
 H    1.85136195   0.97832043   0.00000000
 C   -0.80583303   1.26099464   0.12334678
 C   -1.61330978   1.65951846  -1.12149302
 H   -1.49686389   1.12884835   0.97905884
 H   -0.14301744   2.10443360   0.37800604
 C   -2.25682744   3.04203863  -0.93971351
 H   -0.94437596   1.68089891  -2.00215469
 H   -2.39779611   0.91287067  -1.33361554
 H   -2.92120544   3.23844096  -1.80895128
 H   -2.90615560   3.01753442  -0.04577025
 N   -1.22528522   4.06841712  -0.71263938
 H   -0.74699000   4.26214867  -1.59967065
 H   -1.67464242   4.95022539  -0.44651021
 20
 Energy -2240.625417356  Dipole 3.773201 Gradient 0.00052788
 C    0.00000000   0.00000000   0.00000000
 C    1.35063936   0.00000000   0.00000000
 S    2.56614061  -1.26499244   0.15008813
 S    1.57745377  -2.92293008   1.18027638
 S    0.65066869  -2.25200504   2.80650950
 S   -1.47377728  -1.74219899   1.90025682
 S   -0.90519734  -1.56980782  -0.03801952
 H    1.85093464   0.97856377   0.00000000
 C   -0.80646722   1.26078274   0.12367818
 C   -1.62425528   1.65275746  -1.11642015
 H   -1.49135819   1.13050796   0.98474545
 H   -0.14358986   2.10624429   0.37116762
 C   -2.27914313   3.02934100  -0.93092180
 H   -0.96081191   1.67945526  -2.00108391
 H   -2.40353354   0.89922993  -1.32348785
 H   -2.94895706   3.22037013  -1.79717111
 H   -2.92452488   2.99813464  -0.03432267
 N   -1.25617521   4.06495809  -0.70710541
 H   -0.78300174   4.26345312  -1.59584076
 H   -1.71274655   4.94249058  -0.43911162
 20
 Energy -2240.625713083  Dipole 3.770446 Gradient 0.00050357
 C    0.00000000   0.00000000   0.00000000
 C    1.35040001   0.00000000   0.00000000
 S    2.56940279  -1.26189651   0.14951541
 S    1.57649063  -2.94071734   1.13772068
 S    0.66216632  -2.31065780   2.78674928
 S   -1.46363563  -1.75614390   1.89991907
 S   -0.90817219  -1.56841569  -0.03944567
 H    1.85060528   0.97872455   0.00000000
 C   -0.80716428   1.26049817   0.12333548
 C   -1.63493112   1.64488533  -1.11238373
 H   -1.48589964   1.13293407   0.98977707
 H   -0.14426091   2.10818380   0.36294549
 C   -2.30214416   3.01510465  -0.92434854
 H   -0.97630396   1.67718932  -2.00048986
 H   -2.40832480   0.88415241  -1.31528836
 H   -2.97753097   3.19947579  -1.78777509
 H   -2.94337639   2.97763523  -0.02499833
 N   -1.28835929   4.06060389  -0.70483990
 H   -0.82053746   4.26321286  -1.59548289
 H   -1.75244980   4.93384973  -0.43571687
 20
 Energy -2240.625987011  Dipole 3.766841 Gradient 0.00047791
 C    0.00000000   0.00000000   0.00000000
 C    1.35015759   0.00000000   0.00000000
 S    2.57238851  -1.25912048   0.14824236
 S    1.57586946  -2.95781587   1.09512332
 S    0.67370640  -2.36831961   2.76519417
 S   -1.45300537  -1.77075354   1.89935363
 S   -0.91105047  -1.56710890  -0.04098679
 H    1.85026188   0.97892808   0.00000000
 C   -0.80814431   1.26023063   0.12241536
 C   -1.64480747   1.63656493  -1.10980848
 H   -1.48151799   1.13530644   0.99349663
 H   -0.14551967   2.11015654   0.35461915
 C   -2.32467916   3.00021001  -0.92013634
 H   -0.99049057   1.67405501  -2.00090198
 H   -2.41191427   0.86831341  -1.30848147
 H   -3.00558632   3.17706494  -1.78080474
 H   -2.96171193   2.95692612  -0.01805569
 N   -1.32056382   4.05600474  -0.70567724
 H   -0.85803619   4.26184497  -1.59836058
 H   -1.79247678   4.92503396  -0.43645310
 20
 Energy -2240.626249956  Dipole 3.764226 Gradient 0.00045302
 C    0.00000000   0.00000000   0.00000000
 C    1.34992528   0.00000000   0.00000000
 S    2.57533496  -1.25636637   0.14715514
 S    1.57589002  -2.97379855   1.05360867
 S    0.68497056  -2.42461500   2.74297096
 S   -1.44185661  -1.78564688   1.89887010
 S   -0.91377791  -1.56586513  -0.04237776
 H    1.84985159   0.97915519   0.00000000
 C   -0.80906069   1.26005424   0.12049157
 C   -1.65434076   1.62724921  -1.10860227
 H   -1.47716072   1.13881721   0.99620161
 H   -0.14666954   2.11232480   0.34462125
 C   -2.34646266   2.98458880  -0.91891905
 H   -1.00431265   1.66862730  -2.00266647
 H   -2.41532086   0.85161645  -1.30226538
 H   -3.03249770   3.15306201  -1.77723692
 H   -2.97954781   2.93672472  -0.01428840
 N   -1.35201943   4.05059648  -0.71029443
 H   -0.89443880   4.25866291  -1.60501008
 H   -1.83166827   4.91566076  -0.44193839
 20
 Energy -2240.626493562  Dipole 3.764687 Gradient 0.00042738
 C    0.00000000   0.00000000   0.00000000
 C    1.34969722   0.00000000   0.00000000
 S    2.57816425  -1.25369792   0.14565056
 S    1.57645984  -2.98939793   1.01132710
 S    0.69609551  -2.48088414   2.71855552
 S   -1.43024853  -1.80167232   1.89752331
 S   -0.91637642  -1.56453380  -0.04462237
 H    1.84953502   0.97934017   0.00000000
 C   -0.80995708   1.25993387   0.11823944
 C   -1.66340423   1.61780298  -1.10797762
 H   -1.47306582   1.14245996   0.99829976
 H   -0.14786100   2.11454242   0.33408521
 C   -2.36727526   2.96904998  -0.91856676
 H   -1.01750822   1.66272697  -2.00485545
 H   -2.41830062   0.83494186  -1.29659868
 H   -3.05866144   3.12898429  -1.77423369
 H   -2.99599013   2.91727710  -0.01110560
 N   -1.38212177   4.04488047  -0.71674984
 H   -0.93249793   4.25727482  -1.61447028
 H   -1.86832488   4.90526754  -0.44519929
 20
 Energy -2240.626698854  Dipole 3.764384 Gradient 0.00039883
 C    0.00000000   0.00000000   0.00000000
 C    1.34948921   0.00000000   0.00000000
 S    2.58105146  -1.25102407   0.14339513
 S    1.57770706  -3.00446597   0.96828856
 S    0.70818397  -2.53688165   2.69238323
 S   -1.41750075  -1.81873814   1.89648155
 S   -0.91891487  -1.56337820  -0.04621804
 H    1.84922097   0.97952368   0.00000000
 C   -0.81066180   1.25991193   0.11621074
 C   -1.67278511   1.60839797  -1.10661429
 H   -1.46829372   1.14671468   1.00097160
 H   -0.14835491   2.11644889   0.32296235
 C   -2.38766793   2.95375776  -0.91736974
 H   -1.03167163   1.65622103  -2.00675949
 H   -2.42192957   0.81865535  -1.28942377
 H   -3.08489834   3.10511618  -1.76988074
 H   -3.01124962   2.89870838  -0.00659969
 N   -1.41142648   4.03909143  -0.72342698
 H   -0.96995752   4.25484665  -1.62435824
 H   -1.90398817   4.89506790  -0.44942502
 20
 Energy -2240.6269452  Dipole 3.761284 Gradient 0.00037801
 C    0.00000000   0.00000000   0.00000000
 C    1.34928094   0.00000000   0.00000000
 S    2.58383772  -1.24843699   0.14167296
 S    1.57889874  -3.01884038   0.92490659
 S    0.71917652  -2.59332179   2.66447780
 S   -1.40509773  -1.83709534   1.89431456
 S   -0.92139845  -1.56222305  -0.04858949
 H    1.84905496   0.97963020   0.00000000
 C   -0.81155772   1.25985334   0.11406834
 C   -1.68141012   1.59940055  -1.10587450
 H   -1.46455689   1.15024888   1.00276084
 H   -0.14986010   2.11873692   0.31344994
 C   -2.40675716   2.93915610  -0.91762591
 H   -1.04463528   1.64949184  -2.00897956
 H   -2.42525475   0.80333539  -1.28311154
 H   -3.10841498   3.08199179  -1.76802581
 H   -3.02656674   2.88128585  -0.00443813
 N   -1.43925628   4.03334273  -0.73023708
 H   -0.99981288   4.24733674  -1.63262369
 H   -1.93886214   4.88696231  -0.46156761
 20
 Energy -2240.627147842  Dipole 3.759767 Gradient 0.00034859
 C    0.00000000   0.00000000   0.00000000
 C    1.34910793   0.00000000   0.00000000
 S    2.58641543  -1.24606167   0.13990170
 S    1.58012755  -3.03239893   0.88218822
 S    0.72992783  -2.64826310   2.63573418
 S   -1.39233086  -1.85519267   1.89224659
 S   -0.92383247  -1.56095190  -0.05074277
 H    1.84865925   0.97985922   0.00000000
 C   -0.81253132   1.25978289   0.11125455
 C   -1.68930958   1.59014008  -1.10628614
 H   -1.46138177   1.15421735   1.00349208
 H   -0.15125135   2.12072722   0.30292577
 C   -2.42315168   2.92551038  -0.92129658
 H   -1.05691197   1.63961930  -2.01247156
 H   -2.42929314   0.78906572  -1.27727814
 H   -3.12820306   3.05960251  -1.77031142
 H   -3.04018071   2.86664523  -0.00623127
 N   -1.46336613   4.02747146  -0.74081695
 H   -1.02611054   4.23936560  -1.64476232
 H   -1.96895632   4.87905205  -0.47685923
 20
 Energy -2240.627337649  Dipole 3.760646 Gradient 0.00032342
 C    0.00000000   0.00000000   0.00000000
 C    1.34892116   0.00000000   0.00000000
 S    2.58902799  -1.24363479   0.13758578
 S    1.58218319  -3.04510510   0.83947395
 S    0.74170140  -2.70136895   2.60587175
 S   -1.37827461  -1.87329328   1.89062319
 S   -0.92629451  -1.55981310  -0.05249725
 H    1.84837367   0.98004642   0.00000000
 C   -0.81312847   1.26003331   0.10775951
 C   -1.69541466   1.58116344  -1.10841981
 H   -1.45849223   1.15921607   1.00308637
 H   -0.15203645   2.12281088   0.29168358
 C   -2.43781231   2.91216758  -0.92646887
 H   -1.06543025   1.63200360  -2.01626350
 H   -2.43000163   0.77412289  -1.27452325
 H   -3.14704020   3.03772214  -1.77336000
 H   -3.05090926   2.85319588  -0.00878142
 N   -1.48475714   4.02134826  -0.75457184
 H   -1.05202062   4.23167954  -1.66106083
 H   -1.99519218   4.87084301  -0.49318864
 20
 Energy -2240.627509508  Dipole 3.760800 Gradient 0.00029770
 C    0.00000000   0.00000000   0.00000000
 C    1.34875898   0.00000000   0.00000000
 S    2.59150358  -1.24136400   0.13492014
 S    1.58428998  -3.05698250   0.79658896
 S    0.75335674  -2.75371463   2.57466638
 S   -1.36402250  -1.89186569   1.88865990
 S   -0.92891582  -1.55854876  -0.05436944
 H    1.84808140   0.98021956   0.00000000
 C   -0.81381598   1.26023482   0.10380897
 C   -1.69975516   1.57290488  -1.11200602
 H   -1.45711612   1.16358083   1.00107664
 H   -0.15318051   2.12461223   0.28172699
 C   -2.45091032   2.89929178  -0.93337825
 H   -1.07138234   1.62495746  -2.02090146
 H   -2.42932508   0.76059502  -1.27463116
 H   -3.16372263   3.01612951  -1.77855034
 H   -3.06060884   2.84000979  -0.01347588
 N   -1.50500363   4.01571292  -0.76945460
 H   -1.07588872   4.22408925  -1.67813714
 H   -2.02061034   4.86314778  -0.51152089
 20
 Energy -2240.627672386  Dipole 3.763656 Gradient 0.00027130
 C    0.00000000   0.00000000   0.00000000
 C    1.34858191   0.00000000   0.00000000
 S    2.59387539  -1.23916101   0.13238068
 S    1.58634682  -3.06804208   0.75397260
 S    0.76461511  -2.80521471   2.54262327
 S   -1.34957040  -1.91053767   1.88657157
 S   -0.93152610  -1.55731395  -0.05602264
 H    1.84778029   0.98039937   0.00000000
 C   -0.81447110   1.26050326   0.09938504
 C   -1.70371747   1.56474598  -1.11631020
 H   -1.45579338   1.16857835   0.99852015
 H   -0.15410830   2.12643164   0.27070859
 C   -2.46166648   2.88784430  -0.94277674
 H   -1.07694664   1.61567070  -2.02637890
 H   -2.42969480   0.74826726  -1.27428178
 H   -3.17633679   2.99647015  -1.78750756
 H   -3.06984787   2.82944338  -0.02180009
 N   -1.52202519   4.01041694  -0.78557511
 H   -1.09516397   4.21666150  -1.69579725
 H   -2.04226983   4.85615496  -0.53140196
 20
 Energy -2240.627810823  Dipole 3.768640 Gradient 0.00025162
 C    0.00000000   0.00000000   0.00000000
 C    1.34845358   0.00000000   0.00000000
 S    2.59621822  -1.23704563   0.12956617
 S    1.58869350  -3.07856563   0.71029693
 S    0.77586430  -2.85671183   2.50845594
 S   -1.33514477  -1.93062732   1.88305508
 S   -0.93388205  -1.55608846  -0.05833234
 H    1.84765440   0.98047613   0.00000000
 C   -0.81476952   1.26100966   0.09487137
 C   -1.70594708   1.55759555  -1.12142536
 H   -1.45531116   1.17381127   0.99501948
 H   -0.15448510   2.12802944   0.26078957
 C   -2.46932585   2.87813412  -0.95318354
 H   -1.08004385   1.60698570  -2.03217627
 H   -2.42889336   0.73763262  -1.27528669
 H   -3.18538180   2.97974914  -1.79762947
 H   -3.07622733   2.82138518  -0.03124674
 N   -1.53423014   4.00532331  -0.80223408
 H   -1.10864168   4.20846097  -1.71375927
 H   -2.05788936   4.85027578  -0.55244526
 20
 Energy -2240.627956586  Dipole 3.773530 Gradient 0.00022969
 C    0.00000000   0.00000000   0.00000000
 C    1.34830073   0.00000000   0.00000000
 S    2.59835888  -1.23500279   0.12665377
 S    1.59072691  -3.08782745   0.66817685
 S    0.78689854  -2.90568726   2.47471692
 S   -1.32011640  -1.94915013   1.88081154
 S   -0.93657424  -1.55481937  -0.05974172
 H    1.84732416   0.98067161   0.00000000
 C   -0.81504022   1.26149828   0.08981755
 C   -1.70710437   1.55069436  -1.12774927
 H   -1.45509205   1.17879976   0.99064672
 H   -0.15509686   2.12971160   0.25074846
 C   -2.47433725   2.86978767  -0.96628265
 H   -1.08132249   1.59723105  -2.03873660
 H   -2.42789076   0.72808025  -1.27774149
 H   -3.19142603   2.96425746  -1.81068944
 H   -3.08047153   2.81628958  -0.04361570
 N   -1.54279754   4.00076252  -0.82251853
 H   -1.11821233   4.19971400  -1.73543458
 H   -2.06902066   4.84555151  -0.57762416
 20
 Energy -2240.628079079  Dipole 3.779384 Gradient 0.00021300
 C    0.00000000   0.00000000   0.00000000
 C    1.34816481   0.00000000   0.00000000
 S    2.60056724  -1.23295243   0.12392827
 S    1.59290984  -3.09613315   0.62655868
 S    0.79797831  -2.95307715   2.44049895
 S   -1.30445057  -1.96677882   1.87894995
 S   -0.93943280  -1.55344564  -0.06062183
 H    1.84694839   0.98087402   0.00000000
 C   -0.81519816   1.26214391   0.08471347
 C   -1.70705759   1.54467833  -1.13471028
 H   -1.45544886   1.18383928   0.98572385
 H   -0.15510123   2.13111906   0.24104027
 C   -2.47692433   2.86307506  -0.98068297
 H   -1.08061075   1.58776887  -2.04542656
 H   -2.42639524   0.72017098  -1.28140266
 H   -3.19443932   2.95100651  -1.82544656
 H   -3.08272924   2.81377208  -0.05755607
 N   -1.54770060   3.99679778  -0.84395204
 H   -1.12345171   4.19075679  -1.75810885
 H   -2.07572593   4.84206735  -0.60459837
 20
 Energy -2240.6281909  Dipole 3.786845 Gradient 0.00019304
 C    0.00000000   0.00000000   0.00000000
 C    1.34805183   0.00000000   0.00000000
 S    2.60258815  -1.23108410   0.12100197
 S    1.59550612  -3.10387289   0.58524332
 S    0.80914001  -2.99900307   2.40555236
 S   -1.28853599  -1.98537244   1.87675199
 S   -0.94219990  -1.55207546  -0.06161173
 H    1.84657757   0.98109989   0.00000000
 C   -0.81505307   1.26292795   0.07873249
 C   -1.70582039   1.53891062  -1.14313868
 H   -1.45621977   1.18998262   0.97946669
 H   -0.15481277   2.13261499   0.23058220
 C   -2.47677697   2.85753599  -0.99751631
 H   -1.07840257   1.57725583  -2.05339405
 H   -2.42462511   0.71326890  -1.28615950
 H   -3.19349074   2.94013701  -1.84353031
 H   -3.08364004   2.81319174  -0.07484195
 N   -1.54864482   3.99280772  -0.86663513
 H   -1.12322803   4.18116150  -1.78141246
 H   -2.07772979   4.83917025  -0.63360914
 20
 Energy -2240.628306488  Dipole 3.793916 Gradient 0.00017631
 C    0.00000000   0.00000000   0.00000000
 C    1.34790765   0.00000000   0.00000000
 S    2.60436990  -1.22935438   0.11819203
 S    1.59777024  -3.11061187   0.54519738
 S    0.81987276  -3.04269134   2.37097745
 S   -1.27256981  -2.00292090   1.87499228
 S   -0.94528878  -1.55054026  -0.06201201
 H    1.84625269   0.98124908   0.00000000
 C   -0.81529073   1.26346090   0.07210084
 C   -1.69835913   1.53614395  -1.15624424
 H   -1.46199117   1.19280650   0.96893798
 H   -0.15585484   2.13348237   0.22539046
 C   -2.47528420   2.85203907  -1.01664050
 H   -1.06327519   1.58242359  -2.06073064
 H   -2.41186249   0.70721919  -1.30660484
 H   -3.19025438   2.92877462  -1.86466407
 H   -3.08398549   2.80949881  -0.09508515
 N   -1.55040385   3.99033593  -0.88859235
 H   -1.12305714   4.17523204  -1.80319654
 H   -2.08211125   4.83658854  -0.66111548
 20
 Energy -2240.628380225  Dipole 3.802510 Gradient 0.00015621
 C    0.00000000   0.00000000   0.00000000
 C    1.34782767   0.00000000   0.00000000
 S    2.60621366  -1.22766472   0.11490635
 S    1.60017938  -3.11662209   0.50517283
 S    0.83028417  -3.08531826   2.33538934
 S   -1.25711882  -2.02102783   1.87177357
 S   -0.94788569  -1.54927382  -0.06318440
 H    1.84596975   0.98143599   0.00000000
 C   -0.81469234   1.26455926   0.06555933
 C   -1.69378725   1.53190379  -1.16697745
 H   -1.46420821   1.19896645   0.96062310
 H   -0.15470287   2.13460251   0.21652081
 C   -2.47123341   2.84831481  -1.03771498
 H   -1.05678990   1.56725948  -2.07067469
 H   -2.40827304   0.70297302  -1.31309033
 H   -3.18228033   2.92047710  -1.88946005
 H   -3.08446489   2.80910454  -0.11900669
 N   -1.54864544   3.98830332  -0.90984631
 H   -1.11735524   4.17048256  -1.82311807
 H   -2.08269750   4.83453157  -0.68792040
 20
 Energy -2240.628462505  Dipole 3.815609 Gradient 0.00014847
 C    0.00000000   0.00000000   0.00000000
 C    1.34775063   0.00000000   0.00000000
 S    2.60788534  -1.22614596   0.11196715
 S    1.60243868  -3.12194125   0.46574761
 S    0.83980371  -3.12683252   2.29935158
 S   -1.24218000  -2.03983641   1.86764340
 S   -0.95039685  -1.54802003  -0.06469158
 H    1.84563012   0.98163016   0.00000000
 C   -0.81419403   1.26547893   0.05948451
 C   -1.69332640   1.52564436  -1.17474265
 H   -1.46354384   1.20614104   0.95500996
 H   -0.15343756   2.13602342   0.20428125
 C   -2.46498961   2.84663772  -1.05731873
 H   -1.05679706   1.54970535  -2.07915024
 H   -2.41171957   0.69870074  -1.31276525
 H   -3.17424908   2.91494650  -1.91086320
 H   -3.08000424   2.81762345  -0.13942484
 N   -1.53786374   3.98377688  -0.93709342
 H   -1.10453852   4.15720402  -1.85110823
 H   -2.06872824   4.83386205  -0.72234352
 20
 Energy -2240.62853342  Dipole 3.825068 Gradient 0.00013018
 C    0.00000000   0.00000000   0.00000000
 C    1.34763346   0.00000000   0.00000000
 S    2.60956460  -1.22439764   0.10901866
 S    1.60481092  -3.12630472   0.42831077
 S    0.84992868  -3.16523169   2.26486173
 S   -1.22660875  -2.05672165   1.86501107
 S   -0.95293036  -1.54682873  -0.06493978
 H    1.84502328   0.98192845   0.00000000
 C   -0.81401254   1.26607923   0.05325051
 C   -1.68942198   1.52131478  -1.18480161
 H   -1.46601582   1.21092203   0.94700459
 H   -0.15317859   2.13707220   0.19534793
 C   -2.45609329   2.84605451  -1.07843276
 H   -1.05053363   1.53727503  -2.08772570
 H   -2.41040661   0.69604160  -1.31925633
 H   -3.16616506   2.90936037  -1.93167102
 H   -3.06993487   2.82808731  -0.15945675
 N   -1.52393196   3.98023151  -0.97008968
 H   -1.09057157   4.14258722  -1.88611599
 H   -2.05079322   4.83477366  -0.76336321
 20
 Energy -2240.628597269  Dipole 3.836585 Gradient 0.00011463
 C    0.00000000   0.00000000   0.00000000
 C    1.34758028   0.00000000   0.00000000
 S    2.61097309  -1.22321322   0.10629349
 S    1.60675960  -3.13031785   0.39086883
 S    0.85882259  -3.20304187   2.22940890
 S   -1.21129896  -2.07384640   1.86151980
 S   -0.95599096  -1.54525668  -0.06564980
 H    1.84496155   0.98197426   0.00000000
 C   -0.81301665   1.26730510   0.04659392
 C   -1.68473831   1.51745533  -1.19527408
 H   -1.46725383   1.21770054   0.93892472
 H   -0.15117304   2.13813606   0.18513895
 C   -2.44447458   2.84720978  -1.10175920
 H   -1.04389619   1.52249106  -2.09695209
 H   -2.41000131   0.69510399  -1.32460324
 H   -3.15271353   2.90669316  -1.95678094
 H   -3.06009098   2.84074483  -0.18381065
 N   -1.50653090   3.97739929  -1.00200117
 H   -1.07124942   4.12970330  -1.91883495
 H   -2.02911372   4.83641212  -0.80308698
 20
 Energy -2240.628654383  Dipole 3.848401 Gradient 0.00010125
 C    0.00000000   0.00000000   0.00000000
 C    1.34750109   0.00000000   0.00000000
 S    2.61230416  -1.22197150   0.10373391
 S    1.60840376  -3.13347107   0.35339394
 S    0.86750154  -3.24063037   2.19329686
 S   -1.19577611  -2.09054148   1.85849564
 S   -0.95910517  -1.54368340  -0.06581911
 H    1.84477861   0.98206061   0.00000000
 C   -0.81226439   1.26824022   0.04008496
 C   -1.67906584   1.51434708  -1.20618329
 H   -1.46974846   1.22309512   0.93015269
 H   -0.14989203   2.13902125   0.17666617
 C   -2.43226664   2.84853300  -1.12421873
 H   -1.03524792   1.51050933  -2.10574069
 H   -2.40779776   0.69460915  -1.33257930
 H   -3.13914878   2.90477159  -1.98058031
 H   -3.04897562   2.85286562  -0.20699909
 N   -1.48824114   3.97432497  -1.03269648
 H   -1.05088091   4.11639812  -1.95018263
 H   -2.00621053   4.83790582  -0.84169538
 20
 Energy -2240.628691944  Dipole 3.860471 Gradient 0.00008719
 C    0.00000000   0.00000000   0.00000000
 C    1.34745973   0.00000000   0.00000000
 S    2.61371445  -1.22061291   0.10063804
 S    1.61007972  -3.13603495   0.31536691
 S    0.87672569  -3.27729535   2.15613017
 S   -1.17985312  -2.10773822   1.85479963
 S   -0.96196623  -1.54225251  -0.06602035
 H    1.84421536   0.98235296   0.00000000
 C   -0.81116438   1.26942528   0.03362285
 C   -1.67525285   1.51035663  -1.21571596
 H   -1.47000910   1.23051413   0.92282673
 H   -0.14716877   2.13985139   0.16498196
 C   -2.42054597   2.84974193  -1.14620564
 H   -1.03023955   1.49519623  -2.11431861
 H   -2.40881313   0.69407506  -1.33643734
 H   -3.12606872   2.90267116  -2.00387532
 H   -3.03834196   2.86577019  -0.22983758
 N   -1.47005863   3.97073396  -1.06341457
 H   -1.03128011   4.10269484  -1.98171047
 H   -1.98307537   4.83886243  -0.87980408
 20
 Energy -2240.628744602  Dipole 3.872653 Gradient 0.00007495
 C    0.00000000   0.00000000   0.00000000
 C    1.34739855   0.00000000   0.00000000
 S    2.61476064  -1.21970496   0.09769679
 S    1.61150459  -3.13816860   0.27956334
 S    0.88515689  -3.31125173   2.12063556
 S   -1.16427181  -2.12340365   1.85184762
 S   -0.96491849  -1.54070138  -0.06573966
 H    1.84396518   0.98247545   0.00000000
 C   -0.81045881   1.27021892   0.02737413
 C   -1.66955397   1.50750273  -1.22623670
 H   -1.47275613   1.23511410   0.91409777
 H   -0.14633805   2.14072025   0.15779273
 C   -2.40583127   2.85245972  -1.16913941
 H   -1.02228956   1.48131540  -2.12294744
 H   -2.40826547   0.69527471  -1.34288378
 H   -3.11064781   2.90248395  -2.02757145
 H   -3.02372016   2.88116047  -0.25316482
 N   -1.44733710   3.96724374  -1.09628943
 H   -1.00767266   4.08805071  -2.01568390
 H   -1.95370865   4.84066226  -0.91959443
 20
 Energy -2240.628769783  Dipole 3.885514 Gradient 0.00005696
 C    0.00000000   0.00000000   0.00000000
 C    1.34733323   0.00000000   0.00000000
 S    2.61580778  -1.21879529   0.09464065
 S    1.61302785  -3.13951778   0.24622613
 S    0.89282892  -3.34230613   2.08699524
 S   -1.14947741  -2.13820520   1.84865114
 S   -0.96791059  -1.53917231  -0.06552212
 H    1.84362168   0.98263072   0.00000000
 C   -0.80982864   1.27102979   0.01930601
 C   -1.65768187   1.50549139  -1.24263680
 H   -1.47941775   1.23903494   0.90046555
 H   -0.14563155   2.14119095   0.15200521
 C   -2.38580390   2.85544269  -1.20107140
 H   -1.00307313   1.46948853  -2.13367140
 H   -2.40030646   0.69697787  -1.36033242
 H   -3.08438303   2.90302371  -2.06472275
 H   -3.00991904   2.89560904  -0.28976282
 N   -1.42062780   3.96462262  -1.13074957
 H   -0.97386686   4.07486024  -2.04805188
 H   -1.92267074   4.84272745  -0.96521311
 20
 Energy -2240.628792424  Dipole 3.898151 Gradient 0.00004804
 C    0.00000000   0.00000000   0.00000000
 C    1.34727736   0.00000000   0.00000000
 S    2.61686573  -1.21788024   0.09081076
 S    1.61453675  -3.14042064   0.21035137
 S    0.90147102  -3.37427744   2.05052900
 S   -1.13359438  -2.15461695   1.84494613
 S   -0.97116536  -1.53748505  -0.06511577
 H    1.84327634   0.98278894   0.00000000
 C   -0.80869911   1.27204530   0.01144326
 C   -1.64818364   1.50285949  -1.25701663
 H   -1.48370284   1.24458989   0.88846300
 H   -0.14389627   2.14183853   0.14388989
 C   -2.36901616   2.85705894  -1.22896958
 H   -0.98840370   1.45769177  -2.14380912
 H   -2.39443031   0.69758117  -1.37408238
 H   -3.06261437   2.90223761  -2.09672538
 H   -2.99776334   2.90760042  -0.32135799
 N   -1.39771699   3.96104086  -1.16171030
 H   -0.94530108   4.06170741  -2.07734817
 H   -1.89533029   4.84334009  -1.00539541
 20
 Energy -2240.628801744  Dipole 3.908887 Gradient 0.00003187
 C    0.00000000   0.00000000   0.00000000
 C    1.34725158   0.00000000   0.00000000
 S    2.61784896  -1.21700327   0.08823986
 S    1.61555977  -3.14074102   0.17347511
 S    0.90912369  -3.40756226   2.01211973
 S   -1.11683801  -2.17038478   1.84151271
 S   -0.97470703  -1.53559645  -0.06422393
 H    1.84285723   0.98300259   0.00000000
 C   -0.80745424   1.27321361   0.00573444
 C   -1.64306112   1.50078523  -1.26602615
 H   -1.48492344   1.25028420   0.88084409
 H   -0.14148501   2.14249884   0.13591923
 C   -2.35477924   2.86003079  -1.24875411
 H   -0.98190033   1.44527096  -2.15120530
 H   -2.39445168   0.69973540  -1.37909021
 H   -3.04756989   2.90330717  -2.11720948
 H   -2.98355438   2.92198218  -0.34185261
 N   -1.37580056   3.95767443  -1.18959059
 H   -0.92246804   4.04827244  -2.10580858
 H   -1.86714148   4.84461187  -1.03988456
 20
 Energy -2240.628808456  Dipole 3.916603 Gradient 0.00001919
 C    0.00000000   0.00000000   0.00000000
 C    1.34719873   0.00000000   0.00000000
 S    2.61881122  -1.21613337   0.08584772
 S    1.61784024  -3.14083266   0.14670036
 S    0.91534412  -3.43054908   1.98371351
 S   -1.10365621  -2.18246824   1.83851069
 S   -0.97703419  -1.53447562  -0.06388382
 H    1.84259727   0.98309701   0.00000000
 C   -0.80711515   1.27349718   0.00011974
 C   -1.63844222   1.49693489  -1.27532387
 H   -1.48718138   1.25391434   0.87318969
 H   -0.14099855   2.14298440   0.12860608
 C   -2.34390674   2.85952144  -1.26883253
 H   -0.97500183   1.43304507  -2.15822663
 H   -2.39303825   0.69851372  -1.38571312
 H   -3.03510278   2.89977424  -2.13871683
 H   -2.97388949   2.93098477  -0.36348100
 N   -1.35973033   3.95280355  -1.21605100
 H   -0.90444814   4.03451990  -2.13213473
 H   -1.84695600   4.84318933  -1.07356938
 20
 Energy -2240.628809062  Dipole 3.921368 Gradient 0.00001215
 C    0.00000000   0.00000000   0.00000000
 C    1.34717376   0.00000000   0.00000000
 S    2.61895443  -1.21608138   0.08386073
 S    1.61763897  -3.14079580   0.13364821
 S    0.91909440  -3.44181204   1.97048349
 S   -1.09755129  -2.18838963   1.83720288
 S   -0.97796887  -1.53406673  -0.06338576
 H    1.84248843   0.98313346   0.00000000
 C   -0.80677594   1.27377251  -0.00327394
 C   -1.63517741   1.49493309  -1.28112568
 H   -1.48863035   1.25640418   0.86837941
 H   -0.14034848   2.14317394   0.12431035
 C   -2.33563108   2.86011069  -1.28178955
 H   -0.97029676   1.42512489  -2.16251277
 H   -2.39234586   0.69872625  -1.38974936
 H   -3.02547526   2.89891011  -2.15279088
 H   -2.96646741   2.93834133  -0.37757871
 N   -1.34724871   3.94978010  -1.23296250
 H   -0.88943497   4.02418186  -2.14843771
 H   -1.83124854   4.84294665  -1.09705231
 20
 Energy -2240.628809275  Dipole 3.924246 Gradient 0.00000281
 C    0.00000000   0.00000000   0.00000000
 C    1.34718371   0.00000000   0.00000000
 S    2.61886725  -1.21615485   0.08438949
 S    1.61728616  -3.14075082   0.13272324
 S    0.91832381  -3.44296030   1.96922092
 S   -1.09792683  -2.18890274   1.83661473
 S   -0.97825042  -1.53385424  -0.06376137
 H    1.84251217   0.98312504   0.00000000
 C   -0.80652647   1.27394536  -0.00397154
 C   -1.63241038   1.49614458  -1.28327236
 H   -1.48998895   1.25621890   0.86642535
 H   -0.14016074   2.14311595   0.12539025
 C   -2.33185143   2.86186315  -1.28459875
 H   -0.96590450   1.42626991  -2.16341974
 H   -2.38995081   0.70052769  -1.39367814
 H   -3.02018229   2.90158927  -2.15674500
 H   -2.96416219   2.94017887  -0.38143428
 N   -1.34275010   3.95077900  -1.23361192
 H   -0.88438999   4.02640648  -2.14868012
 H   -1.82613385   4.84405819  -1.09627779
 20
 Energy -2240.628808561  Dipole 3.934021 Gradient 0.00006808
 C    0.00000000   0.00000000   0.00000000
 C    1.34722216   0.00000000   0.00000000
 S    2.61906861  -1.21573492   0.08454958
 S    1.61812115  -3.14048723   0.14052134
 S    0.91713849  -3.43511766   1.97741727
 S   -1.10231575  -2.18671417   1.83601933
 S   -0.97762122  -1.53410441  -0.06496019
 H    1.84237030   0.98321785   0.00000000
 C   -0.80509249   1.27476571  -0.00373014
 C   -1.62928586   1.50025649  -1.28357636
 H   -1.48888589   1.25808663   0.86638206
 H   -0.13687737   2.14263198   0.12557221
 C   -2.30767838   2.87663055  -1.29235672
 H   -0.96484795   1.41575849  -2.16400782
 H   -2.39836362   0.71511805  -1.38863758
 H   -2.99813421   2.92117429  -2.16258255
 H   -2.93573693   2.97136840  -0.38781908
 N   -1.30108501   3.94992345  -1.25242354
 H   -0.84523620   4.01229012  -2.16972615
 H   -1.76932740   4.85175835  -1.11869879
 20
 Energy -2240.628779703  Dipole 3.951557 Gradient 0.00010876
 C    0.00000000   0.00000000   0.00000000
 C    1.34730418   0.00000000   0.00000000
 S    2.61963718  -1.21478429   0.08481131
 S    1.62080072  -3.14033224   0.15718562
 S    0.91463415  -3.41819884   1.99453851
 S   -1.11075613  -2.18175300   1.83524758
 S   -0.97611975  -1.53468179  -0.06714161
 H    1.84209376   0.98339958   0.00000000
 C   -0.80242820   1.27629258  -0.00453355
 C   -1.62121377   1.50746267  -1.28699630
 H   -1.48794477   1.26200714   0.86415291
 H   -0.13077384   2.14169700   0.12467063
 C   -2.25719131   2.90393221  -1.31348361
 H   -0.95965848   1.39337241  -2.16624566
 H   -2.41263384   0.74375836  -1.38248528
 H   -2.94884033   2.95767226  -2.18213584
 H   -2.87852097   3.03196346  -0.40839759
 N   -1.21666812   3.94503597  -1.29277470
 H   -0.76217565   3.97902032  -2.21223225
 H   -1.65497352   4.86339837  -1.17071526
 20
 Energy -2240.628752118  Dipole 3.973194 Gradient 0.00015560
 C    0.00000000   0.00000000   0.00000000
 C    1.34737857   0.00000000   0.00000000
 S    2.62005862  -1.21422235   0.08411043
 S    1.62232727  -3.13954531   0.17434004
 S    0.91236681  -3.40084940   2.01251939
 S   -1.11998533  -2.17720000   1.83343699
 S   -0.97423915  -1.53555898  -0.06987620
 H    1.84196780   0.98351805   0.00000000
 C   -0.79968447   1.27778795  -0.00588622
 C   -1.60990738   1.51592954  -1.29274978
 H   -1.48908695   1.26526815   0.85958250
 H   -0.12461109   2.14034798   0.12591595
 C   -2.20380585   2.93062653  -1.33609780
 H   -0.94999287   1.37413241  -2.16920084
 H   -2.42222748   0.77390639  -1.38219274
 H   -2.89451479   2.99482306  -2.20472317
 H   -2.81951832   3.08907452  -0.43199645
 N   -1.13111766   3.93885130  -1.32997840
 H   -0.67734341   3.94707654  -2.25037652
 H   -1.53967702   4.87208906  -1.21823844
 20
 Energy -2240.628644656  Dipole 3.991920 Gradient 0.00019881
 C    0.00000000   0.00000000   0.00000000
 C    1.34742919   0.00000000   0.00000000
 S    2.61972863  -1.21392426   0.08476985
 S    1.62275075  -3.13858805   0.19479208
 S    0.90871575  -3.37998795   2.03408388
 S   -1.13121683  -2.17097432   1.83290908
 S   -0.97302657  -1.53597704  -0.07195569
 H    1.84181530   0.98361794   0.00000000
 C   -0.79709939   1.27923594  -0.00554767
 C   -1.60054812   1.52485602  -1.29547874
 H   -1.48895955   1.26759536   0.85783414
 H   -0.11851727   2.13882034   0.12863285
 C   -2.15102311   2.95655345  -1.35501728
 H   -0.94455084   1.35510715  -2.16992546
 H   -2.43377810   0.80573565  -1.37786860
 H   -2.84053078   3.03216773  -2.22359367
 H   -2.75989299   3.14586079  -0.45222443
 N   -1.04672927   3.93018918  -1.36243948
 H   -0.59382781   3.91241617  -2.28312167
 H   -1.42511087   4.87730412  -1.26177355
 20
 Energy -2240.628538388  Dipole 4.008318 Gradient 0.00024004
 C    0.00000000   0.00000000   0.00000000
 C    1.34749955   0.00000000   0.00000000
 S    2.61947918  -1.21379052   0.08486763
 S    1.62285131  -3.13741506   0.21666883
 S    0.90440529  -3.35742822   2.05673035
 S   -1.14272773  -2.16256438   1.83299220
 S   -0.97134888  -1.53674209  -0.07392490
 H    1.84172266   0.98369645   0.00000000
 C   -0.79480142   1.28048522  -0.00543123
 C   -1.59118940   1.53293904  -1.29875522
 H   -1.48936851   1.26931802   0.85558468
 H   -0.11293117   2.13723371   0.13141867
 C   -2.09770739   2.98011161  -1.37564685
 H   -0.94003408   1.33470725  -2.17077941
 H   -2.44480199   0.83751488  -1.37403256
 H   -2.78614510   3.06620989  -2.24400962
 H   -2.69823678   3.20029881  -0.47425460
 N   -0.96294532   3.91791377  -1.39778903
 H   -0.51215014   3.87288342  -2.31857640
 H   -1.31044939   4.87798070  -1.30943385
 20
 Energy -2240.628406001  Dipole 4.022787 Gradient 0.00028072
 C    0.00000000   0.00000000   0.00000000
 C    1.34756013   0.00000000   0.00000000
 S    2.61900406  -1.21399793   0.08448423
 S    1.62292580  -3.13646251   0.23895858
 S    0.89934322  -3.33435872   2.07933936
 S   -1.15564997  -2.15559323   1.83100251
 S   -0.96895791  -1.53775781  -0.07718167
 H    1.84184694   0.98365187   0.00000000
 C   -0.79259620   1.28166060  -0.00639129
 C   -1.58101164   1.53943612  -1.30398171
 H   -1.49053660   1.27204957   0.85175770
 H   -0.10744859   2.13555094   0.13281024
 C   -2.04411970   3.00004445  -1.40015740
 H   -0.93477112   1.31244413  -2.17267466
 H   -2.45391817   0.86785648  -1.37242513
 H   -2.73082226   3.09524988  -2.26889841
 H   -2.63618051   3.25131595  -0.50127929
 N   -0.88078063   3.90168293  -1.43664926
 H   -0.43188147   3.82845467  -2.35654857
 H   -1.19783064   4.87341912  -1.36268447
 20
 Energy -2240.628236001  Dipole 4.033101 Gradient 0.00034265
 C    0.00000000   0.00000000   0.00000000
 C    1.34767733   0.00000000   0.00000000
 S    2.61883775  -1.21392743   0.08392923
 S    1.62489113  -3.13554714   0.26283629
 S    0.89386526  -3.30924618   2.10258920
 S   -1.17010941  -2.15150138   1.82613666
 S   -0.96582701  -1.53923979  -0.08232058
 H    1.84180733   0.98373460   0.00000000
 C   -0.79064823   1.28277120  -0.00946465
 C   -1.56972650   1.54311965  -1.31264924
 H   -1.49270318   1.27541815   0.84511211
 H   -0.10246895   2.13397891   0.13187048
 C   -1.99162029   3.01462425  -1.43106929
 H   -0.92792605   1.28725067  -2.17655322
 H   -2.46016115   0.89449726  -1.37457441
 H   -2.67540478   3.11612020  -2.30139525
 H   -2.57594783   3.29683829  -0.53633069
 N   -0.80256670   3.88142958  -1.48140566
 H   -0.35526487   3.77951432  -2.39936027
 H   -1.09107854   4.86311570  -1.42400938
 20
 Energy -2240.628063034  Dipole 4.034595 Gradient 0.00045097
 C    0.00000000   0.00000000   0.00000000
 C    1.34775384   0.00000000   0.00000000
 S    2.61872503  -1.21390465   0.08153602
 S    1.62977428  -3.13553006   0.28755947
 S    0.88927319  -3.28193603   2.12599344
 S   -1.18576672  -2.15423688   1.81678278
 S   -0.96221951  -1.54098092  -0.08972883
 H    1.84192880   0.98372113   0.00000000
 C   -0.78893368   1.28390845  -0.01526899
 C   -1.55590498   1.54364010  -1.32636322
 H   -1.49716205   1.27967799   0.83400066
 H   -0.09857457   2.13300495   0.12881692
 C   -1.94244402   3.02262146  -1.47013564
 H   -0.91578824   1.26075229  -2.18304388
 H   -2.46048886   0.91467553  -1.38414737
 H   -2.62295402   3.12536518  -2.34287252
 H   -2.52040297   3.33455985  -0.58112404
 N   -0.73262065   3.85915342  -1.53452959
 H   -0.28639148   3.72865733  -2.44938369
 H   -0.99717042   4.84850818  -1.49655143
 20
 Energy -2240.627825479  Dipole 4.024930 Gradient 0.00062993
 C    0.00000000   0.00000000   0.00000000
 C    1.34788797   0.00000000   0.00000000
 S    2.61983009  -1.21275281   0.07678580
 S    1.64208025  -3.13671484   0.31256536
 S    0.88846964  -3.25252740   2.14822638
 S   -1.20006175  -2.16720678   1.80112740
 S   -0.95601342  -1.54436213  -0.10066460
 H    1.84200326   0.98379133   0.00000000
 C   -0.78678273   1.28553791  -0.02635369
 C   -1.53779399   1.53942161  -1.34849744
 H   -1.50393303   1.28735466   0.81516829
 H   -0.09455497   2.13274408   0.12037751
 C   -1.90038637   3.02155116  -1.52020553
 H   -0.89421669   1.23411598  -2.19481495
 H   -2.45114145   0.92329969  -1.40595674
 H   -2.57785375   3.11827687  -2.39604018
 H   -2.47481442   3.35960591  -0.63847789
 N   -0.67734505   3.83729275  -1.59869295
 H   -0.23126280   3.68057466  -2.50950770
 H   -0.92629260   4.83129775  -1.58219998
 20
 Energy -2240.627509574  Dipole 4.001639 Gradient 0.00086426
 C    0.00000000   0.00000000   0.00000000
 C    1.34811441   0.00000000   0.00000000
 S    2.62253657  -1.21019432   0.06955158
 S    1.66268699  -3.13898632   0.33388043
 S    0.89286364  -3.22323249   2.16541822
 S   -1.20942993  -2.19151355   1.78075275
 S   -0.94943563  -1.54788275  -0.11349124
 H    1.84198303   0.98398266   0.00000000
 C   -0.78362822   1.28786466  -0.04060413
 C   -1.51752160   1.53217963  -1.37468968
 H   -1.51046190   1.29828204   0.79229878
 H   -0.08953639   2.13337003   0.10750056
 C   -1.86890902   3.01366903  -1.57354258
 H   -0.86647088   1.21084847  -2.20927315
 H   -2.43414645   0.92119706  -1.43462394
 H   -2.54452421   3.09824292  -2.45214425
 H   -2.44253437   3.37204234  -0.69933455
 N   -0.64045689   3.81961471  -1.66601028
 H   -0.19333806   3.64038247  -2.57214118
 H   -0.88325702   4.81527772  -1.67190840
 20
 Energy -2240.627062103  Dipole 3.972115 Gradient 0.00114003
 C    0.00000000   0.00000000   0.00000000
 C    1.34842405   0.00000000   0.00000000
 S    2.62754923  -1.20527379   0.06326644
 S    1.69154522  -3.14131058   0.35063231
 S    0.90127167  -3.19554977   2.17621181
 S   -1.21316133  -2.22605612   1.75622824
 S   -0.94359963  -1.55093682  -0.12807066
 H    1.84142614   0.98452492   0.00000000
 C   -0.78030910   1.29026524  -0.05626332
 C   -1.49715209   1.52249063  -1.40226934
 H   -1.51713358   1.30977046   0.76744257
 H   -0.08528250   2.13479792   0.09324333
 C   -1.84813985   3.00067214  -1.62529651
 H   -0.83562531   1.19163284  -2.22480108
 H   -2.41250551   0.90995509  -1.46644622
 H   -2.52206604   3.07003478  -2.50663764
 H   -2.42422120   3.37310145  -0.75862190
 N   -0.62042764   3.80623062  -1.72882714
 H   -0.17133145   3.61191890  -2.63088651
 H   -0.86466829   4.80128795  -1.75285448
 20
 Energy -2240.626468449  Dipole 3.940199 Gradient 0.00142268
 C    0.00000000   0.00000000   0.00000000
 C    1.34879142   0.00000000   0.00000000
 S    2.63467134  -1.19802394   0.05845149
 S    1.72670420  -3.14312086   0.36228843
 S    0.91233805  -3.17002574   2.18007683
 S   -1.21149823  -2.26766954   1.72884554
 S   -0.93953609  -1.55274567  -0.14342255
 H    1.84015770   0.98548894   0.00000000
 C   -0.77620986   1.29294865  -0.07196405
 C   -1.47909286   1.51211562  -1.42780784
 H   -1.52112839   1.32272975   0.74398140
 H   -0.07980442   2.13653967   0.07626855
 C   -1.83606175   2.98568216  -1.67126225
 H   -0.80721550   1.17622492  -2.23984609
 H   -2.39059047   0.89419830  -1.49598895
 H   -2.50794101   3.03930130  -2.55531077
 H   -2.41674072   3.36698640  -0.81150785
 N   -0.61245174   3.79635574  -1.78278472
 H   -0.16070403   3.59264904  -2.68140878
 H   -0.86224002   4.78963511  -1.82051445
 20
 Energy -2240.625701603  Dipole 3.905652 Gradient 0.00171782
 C    0.00000000   0.00000000   0.00000000
 C    1.34925713   0.00000000   0.00000000
 S    2.64349977  -1.18880962   0.05540224
 S    1.76591218  -3.14399142   0.36915912
 S    0.92500841  -3.14674919   2.17774485
 S   -1.20528578  -2.31414481   1.69958427
 S   -0.93761037  -1.55297194  -0.15884547
 H    1.83863512   0.98662105   0.00000000
 C   -0.77162448   1.29571327  -0.08675449
 C   -1.46395490   1.50209981  -1.45016957
 H   -1.52256871   1.33627599   0.72304654
 H   -0.07346264   2.13840021   0.05850772
 C   -1.83020638   2.97060290  -1.70969730
 H   -0.78293614   1.16423176  -2.25376074
 H   -2.37050370   0.87714968  -1.52106497
 H   -2.49952396   3.00971815  -2.59652871
 H   -2.41694261   3.35655404  -0.85618757
 N   -0.61261176   3.78951070  -1.82609339
 H   -0.15640880   3.57954198  -2.72104270
 H   -0.87009567   4.78029113  -1.87555472
 20
 Energy -2240.624766499  Dipole 3.872791 Gradient 0.00200919
 C    0.00000000   0.00000000   0.00000000
 C    1.34974908   0.00000000   0.00000000
 S    2.65338382  -1.17837982   0.05389658
 S    1.80691478  -3.14396020   0.37166172
 S    0.93813337  -3.12558100   2.17025361
 S   -1.19551459  -2.36389985   1.66908939
 S   -0.93815845  -1.55149244  -0.17360274
 H    1.83652626   0.98810150   0.00000000
 C   -0.76695301   1.29837637  -0.10015659
 C   -1.45149322   1.49294637  -1.46931138
 H   -1.52236181   1.34920320   0.70481654
 H   -0.06706331   2.14027954   0.04093743
 C   -1.82887844   2.95642408  -1.74069573
 H   -0.76255370   1.15553614  -2.26632684
 H   -2.35255316   0.86022543  -1.54218724
 H   -2.49521525   2.98317788  -2.63025048
 H   -2.42236528   3.34332754  -0.89225742
 N   -0.61826586   3.78534044  -1.85861755
 H   -0.15753198   3.57379604  -2.75080684
 H   -0.88448276   4.77345574  -1.91528740
 20
 Energy -2240.623648433  Dipole 3.841785 Gradient 0.00228290
 C    0.00000000   0.00000000   0.00000000
 C    1.35028123   0.00000000   0.00000000
 S    2.66381503  -1.16738880   0.05386875
 S    1.84798781  -3.14308314   0.36998454
 S    0.95055958  -3.10680971   2.15818130
 S   -1.18308491  -2.41586723   1.63727544
 S   -0.94118230  -1.54820836  -0.18772843
 H    1.83423491   0.98963709   0.00000000
 C   -0.76223318   1.30099572  -0.11185447
 C   -1.44143731   1.48521059  -1.48512423
 H   -1.52064702   1.36141084   0.68949418
 H   -0.06043808   2.14208385   0.02453486
 C   -1.83055489   2.94404934  -1.76448140
 H   -0.74596086   1.14994651  -2.27740061
 H   -2.33698437   0.84473453  -1.55934427
 H   -2.49354422   2.96081280  -2.65681146
 H   -2.43102142   3.32902297  -0.92014427
 N   -0.62734000   3.78374807  -1.88115050
 H   -0.16193397   3.57405732  -2.77140181
 H   -0.90258457   4.76914558  -1.94144847
 20
 Energy -2240.62234913  Dipole 3.812639 Gradient 0.00253435
 C    0.00000000   0.00000000   0.00000000
 C    1.35082407   0.00000000   0.00000000
 S    2.67448506  -1.15608397   0.05589172
 S    1.88812575  -3.14127114   0.36531467
 S    0.96139584  -3.09019207   2.14288253
 S   -1.16871898  -2.46917759   1.60412344
 S   -0.94651978  -1.54326655  -0.20121597
 H    1.83179550   0.99128544   0.00000000
 C   -0.75781225   1.30337088  -0.12207091
 C   -1.43324316   1.47888014  -1.49834465
 H   -1.51847936   1.37218715   0.67649646
 H   -0.05432958   2.14367546   0.00986180
 C   -1.83421319   2.93353863  -1.78245508
 H   -0.73220102   1.14716702  -2.28718085
 H   -2.32328873   0.83082317  -1.57366753
 H   -2.49331454   2.94247403  -2.67775863
 H   -2.44212103   3.31442207  -0.94155181
 N   -0.63846925   3.78429510  -1.89527679
 H   -0.16833912   3.57914428  -2.78401555
 H   -0.92269574   4.76712044  -1.95628876
 20
 Energy -2240.620913834  Dipole 3.784990 Gradient 0.00273985
 C    0.00000000   0.00000000   0.00000000
 C    1.35135302   0.00000000   0.00000000
 S    2.68498649  -1.14492037   0.05965135
 S    1.92633101  -3.13871763   0.35788987
 S    0.97020235  -3.07577203   2.12512099
 S   -1.15288301  -2.52306711   1.56995269
 S   -0.95424148  -1.53653197  -0.21368300
 H    1.82923126   0.99290102   0.00000000
 C   -0.75370895   1.30559324  -0.13052049
 C   -1.42667066   1.47440117  -1.50881045
 H   -1.51591786   1.38106582   0.66584585
 H   -0.04883488   2.14533158  -0.00248637
 C   -1.83919116   2.92539173  -1.79465298
 H   -0.72104663   1.14730060  -2.29554423
 H   -2.31154604   0.81931771  -1.58542850
 H   -2.49432842   2.92872465  -2.69291881
 H   -2.45425399   3.30040036  -0.95639877
 N   -0.65073199   3.78705510  -1.90168688
 H   -0.17592139   3.58830563  -2.78947739
 H   -0.94355048   4.76740067  -1.96130907
 20
 Energy -2240.619330843  Dipole 3.758801 Gradient 0.00289303
 C    0.00000000   0.00000000   0.00000000
 C    1.35182742   0.00000000   0.00000000
 S    2.69512978  -1.13397669   0.06500258
 S    1.96225934  -3.13538313   0.34833064
 S    0.97697796  -3.06333284   2.10588822
 S   -1.13583394  -2.57695065   1.53515616
 S   -0.96417035  -1.52809172  -0.22481180
 H    1.82664470   0.99453664   0.00000000
 C   -0.74996433   1.30764682  -0.13736888
 C   -1.42172549   1.47154010  -1.51681930
 H   -1.51319799   1.38865818   0.65754356
 H   -0.04390110   2.14678484  -0.01272012
 C   -1.84520811   2.91946060  -1.80176649
 H   -0.71251180   1.14984153  -2.30250385
 H   -2.30179653   0.81008195  -1.59467418
 H   -2.49640533   2.91921573  -2.70284918
 H   -2.46715791   3.28726360  -0.96533060
 N   -0.66377429   3.79159849  -1.90156995
 H   -0.18449007   3.60057666  -2.78853792
 H   -0.96493080   4.76963844  -1.95825647
 20
 Energy -2240.617638117  Dipole 3.733981 Gradient 0.00298478
 C    0.00000000   0.00000000   0.00000000
 C    1.35229581   0.00000000   0.00000000
 S    2.70464080  -1.12389265   0.07125120
 S    1.99513858  -3.13167960   0.33629997
 S    0.98147685  -3.05330111   2.08532376
 S   -1.11808325  -2.63025445   1.49968499
 S   -0.97656622  -1.51760108  -0.23446699
 H    1.82417061   0.99604036   0.00000000
 C   -0.74636940   1.30980031  -0.14223482
 C   -1.41797482   1.47093991  -1.52206054
 H   -1.50987990   1.39487527   0.65184415
 H   -0.03891091   2.14820964  -0.02037263
 C   -1.85158884   2.91646527  -1.80354856
 H   -0.70618027   1.15525066  -2.30788427
 H   -2.29375967   0.80380445  -1.60117390
 H   -2.49916360   2.91463287  -2.70726807
 H   -2.47969488   3.27600111  -0.96823336
 N   -0.67672360   3.79829843  -1.89494446
 H   -0.19316703   3.61601289  -2.78154835
 H   -0.98526503   4.77422892  -1.94712982
 20
 Energy -2240.615876372  Dipole 3.710031 Gradient 0.00300077
 C    0.00000000   0.00000000   0.00000000
 C    1.35267823   0.00000000   0.00000000
 S    2.71355127  -1.11437943   0.07864450
 S    2.02533539  -3.12754983   0.32202531
 S    0.98373999  -3.04604006   2.06350839
 S   -1.09991924  -2.68310516   1.46266549
 S   -0.99108495  -1.50532427  -0.24307241
 H    1.82173294   0.99749780   0.00000000
 C   -0.74312752   1.31188286  -0.14520552
 C   -1.41513681   1.47249645  -1.52489049
 H   -1.50679941   1.39949843   0.64853996
 H   -0.03469039   2.14956211  -0.02487853
 C   -1.85821645   2.91620249  -1.80048051
 H   -0.70117131   1.16372954  -2.31142240
 H   -2.28701628   0.80046241  -1.60606700
 H   -2.50219483   2.91478385  -2.70670256
 H   -2.49223471   3.26631590  -0.96553828
 N   -0.68949939   3.80707373  -1.88211591
 H   -0.20188280   3.63452687  -2.76829847
 H   -1.00490109   4.78115624  -1.92822973
 20
 Energy -2240.614078371  Dipole 3.686584 Gradient 0.00294864
 C    0.00000000   0.00000000   0.00000000
 C    1.35302081   0.00000000   0.00000000
 S    2.72178242  -1.10539817   0.08783853
 S    2.05275778  -3.12284118   0.30777049
 S    0.98367301  -3.04032423   2.04265474
 S   -1.08175508  -2.73415520   1.42555668
 S   -1.00764831  -1.49135754  -0.24970245
 H    1.81934305   0.99882638   0.00000000
 C   -0.74008801   1.31399056  -0.14731535
 C   -1.41304590   1.47532450  -1.52642054
 H   -1.50340775   1.40326408   0.64641448
 H   -0.03057487   2.15094668  -0.02823293
 C   -1.86475001   2.91767093  -1.79489291
 H   -0.69742283   1.17368346  -2.31429382
 H   -2.28138799   0.79891979  -1.61009707
 H   -2.50534179   2.91782211  -2.70353683
 H   -2.50404861   3.25807889  -0.96007999
 N   -0.70168341   3.81671467  -1.86605096
 H   -0.21003041   3.65426276  -2.75204746
 H   -1.02304193   4.78907686  -1.90552259
 20
 Energy -2240.612293794  Dipole 3.662043 Gradient 0.00282350
 C    0.00000000   0.00000000   0.00000000
 C    1.35327256   0.00000000   0.00000000
 S    2.72922288  -1.09731671   0.09671199
 S    2.07728038  -3.11800135   0.29106257
 S    0.98232460  -3.03745943   2.02094219
 S   -1.06331856  -2.78385825   1.38762178
 S   -1.02645835  -1.47549779  -0.25415645
 H    1.81688479   1.00017628   0.00000000
 C   -0.73711456   1.31635567  -0.14726202
 C   -1.41240304   1.48049354  -1.52484399
 H   -1.49935265   1.40630382   0.64753803
 H   -0.02632922   2.15220376  -0.02886757
 C   -1.87177699   2.92204805  -1.78399049
 H   -0.69620329   1.18634775  -2.31494242
 H   -2.27776277   0.80048810  -1.61086848
 H   -2.50943170   2.92559009  -2.69461356
 H   -2.51573876   3.25213001  -0.94851339
 N   -0.71372937   3.82831248  -1.84437832
 H   -0.21868074   3.67631052  -2.73016921
 H   -1.04051672   4.79918423  -1.87605909
 20
 Energy -2240.610560588  Dipole 3.635574 Gradient 0.00263568
 C    0.00000000   0.00000000   0.00000000
 C    1.35345629   0.00000000   0.00000000
 S    2.73585912  -1.08998463   0.10553889
 S    2.09904611  -3.11301266   0.27233064
 S    0.97963632  -3.03756796   1.99839462
 S   -1.04506920  -2.83204216   1.34810545
 S   -1.04726818  -1.45790151  -0.25654893
 H    1.81446756   1.00133686   0.00000000
 C   -0.73420105   1.31898586  -0.14513852
 C   -1.41271766   1.48794682  -1.52046979
 H   -1.49472487   1.40821966   0.65119869
 H   -0.02174565   2.15342073  -0.02695750
 C   -1.87887579   2.92925652  -1.76830329
 H   -0.69695156   1.20150875  -2.31383484
 H   -2.27579861   0.80525009  -1.60895296
 H   -2.51420231   2.93787088  -2.68052708
 H   -2.52651885   3.24863776  -0.93162726
 N   -0.72532662   3.84188387  -1.81737666
 H   -0.22734927   3.70074938  -2.70347704
 H   -1.05675532   4.81137018  -1.84071301
 20
 Energy -2240.608929218  Dipole 3.608615 Gradient 0.00238629
 C    0.00000000   0.00000000   0.00000000
 C    1.35357684   0.00000000   0.00000000
 S    2.74165623  -1.08343421   0.11508349
 S    2.11801033  -3.10786943   0.25282962
 S    0.97500643  -3.04035857   1.97574430
 S   -1.02786050  -2.87812362   1.30672667
 S   -1.06979245  -1.43867453  -0.25697843
 H    1.81197431   1.00253786   0.00000000
 C   -0.73111625   1.32190138  -0.14196071
 C   -1.41339207   1.49731976  -1.51446501
 H   -1.48940379   1.41016350   0.65675356
 H   -0.01672880   2.15449199  -0.02328918
 C   -1.88519880   2.93897793  -1.74943549
 H   -0.69852447   1.21884596  -2.31137036
 H   -2.27480226   0.81282201  -1.60574842
 H   -2.51870898   2.95378378  -2.66278119
 H   -2.53577267   3.24721699  -0.91076370
 N   -0.73549229   3.85691434  -1.78685307
 H   -0.23512454   3.72741391  -2.67322636
 H   -1.07100711   4.82520638  -1.80024208
 20
 Energy -2240.607405417  Dipole 3.581207 Gradient 0.00210873
 C    0.00000000   0.00000000   0.00000000
 C    1.35361942   0.00000000   0.00000000
 S    2.74664646  -1.07768833   0.12436251
 S    2.13423370  -3.10280440   0.23145199
 S    0.96922321  -3.04678011   1.95152070
 S   -1.01154062  -2.92243716   1.26219575
 S   -1.09379125  -1.41792308  -0.25536479
 H    1.80971050   1.00349908   0.00000000
 C   -0.72803699   1.32509955  -0.13684566
 C   -1.41468605   1.50918871  -1.50586080
 H   -1.48356848   1.41177371   0.66443916
 H   -0.01115282   2.15547770  -0.01773668
 C   -1.89106759   2.95167699  -1.72577506
 H   -0.70155378   1.23907587  -2.30723109
 H   -2.27507242   0.82377605  -1.60064839
 H   -2.52319259   2.97458449  -2.63993572
 H   -2.54405969   3.24806191  -0.88482135
 N   -0.74457471   3.87396468  -1.75072108
 H   -0.24276690   3.75715162  -2.63817792
 H   -1.08311613   4.84124209  -1.75239657
 20
 Energy -2240.606065811  Dipole 3.553854 Gradient 0.00179675
 C    0.00000000   0.00000000   0.00000000
 C    1.35360144   0.00000000   0.00000000
 S    2.75080986  -1.07262544   0.13408352
 S    2.14794062  -3.09761064   0.20987969
 S    0.96243339  -3.05578281   1.92694790
 S   -0.99632164  -2.96434795   1.21544014
 S   -1.11883385  -1.39609913  -0.25108297
 H    1.80730046   1.00452745   0.00000000
 C   -0.72495632   1.32850496  -0.13069389
 C   -1.41648232   1.52269662  -1.49562950
 H   -1.47735045   1.41289193   0.67392979
 H   -0.00555246   2.15632224  -0.00994684
 C   -1.89643400   2.96642126  -1.69910982
 H   -0.70535638   1.26119196  -2.30152843
 H   -2.27626700   0.83699478  -1.59404978
 H   -2.52718995   2.99877580  -2.61385613
 H   -2.55149952   3.25065507  -0.85548660
 N   -0.75249816   3.89210286  -1.71087839
 H   -0.24916278   3.78846147  -2.59894309
 H   -1.09376073   4.85837049  -1.69965919
 20
 Energy -2240.604896075  Dipole 3.529397 Gradient 0.00145954
 C    0.00000000   0.00000000   0.00000000
 C    1.35352296   0.00000000   0.00000000
 S    2.75425354  -1.06834225   0.14276117
 S    2.15957771  -3.09243848   0.18458410
 S    0.95515168  -3.06913779   1.89873347
 S   -0.98208990  -3.00508877   1.16347804
 S   -1.14437517  -1.37337964  -0.24518910
 H    1.80515414   1.00530377   0.00000000
 C   -0.72209462   1.33209462  -0.12176652
 C   -1.41885239   1.53918260  -1.48185411
 H   -1.47073349   1.41267557   0.68652723
 H    0.00009280   2.15708757   0.00135095
 C   -1.90166289   2.98457586  -1.66612408
 H   -0.71044163   1.28735690  -2.29322169
 H   -2.27854974   0.85400800  -1.58509855
 H   -2.53130335   3.02834195  -2.58114829
 H   -2.55819659   3.25565332  -0.81941502
 N   -0.75975744   3.91278342  -1.66326207
 H   -0.25568981   3.82365871  -2.55260314
 H   -1.10278310   4.87810861  -1.63762328
 20
 Energy -2240.603922627  Dipole 3.507686 Gradient 0.00110583
 C    0.00000000   0.00000000   0.00000000
 C    1.35338651   0.00000000   0.00000000
 S    2.75678201  -1.06470670   0.15269927
 S    2.16888835  -3.08716223   0.16167011
 S    0.94682021  -3.08343562   1.87214356
 S   -0.96947071  -3.04210407   1.11104111
 S   -1.17009626  -1.35034095  -0.23545278
 H    1.80288052   1.00614944   0.00000000
 C   -0.71909523   1.33580357  -0.11302239
 C   -1.42159055   1.55608818  -1.46771979
 H   -1.46375407   1.41271607   0.69939490
 H    0.00609814   2.15755544   0.01318459
 C   -1.90615260   3.00326102  -1.63266876
 H   -0.71607775   1.31349858  -2.28431181
 H   -2.28160600   0.87198699  -1.57533205
 H   -2.53486804   3.05895564  -2.54765399
 H   -2.56401387   3.26141955  -0.78293571
 N   -0.76568852   3.93294524  -1.61544776
 H   -0.26051814   3.85810619  -2.50534007
 H   -1.10991039   4.89732727  -1.57467892
 20
 Energy -2240.603149746  Dipole 3.492099 Gradient 0.00073984
 C    0.00000000   0.00000000   0.00000000
 C    1.35323081   0.00000000   0.00000000
 S    2.75871691  -1.06186046   0.15995053
 S    2.17675409  -3.08200888   0.13245367
 S    0.93866967  -3.10330603   1.83872382
 S   -0.95756821  -3.07833143   1.05044636
 S   -1.19536137  -1.32692469  -0.22525397
 H    1.80097146   1.00673205   0.00000000
 C   -0.71587056   1.33991795  -0.10078195
 C   -1.42474537   1.57672817  -1.44893463
 H   -1.45542647   1.41226680   0.71651829
 H    0.01325649   2.15755754   0.02871408
 C   -1.91041741   3.02603394  -1.59081307
 H   -0.72323229   1.34483988  -2.27203887
 H   -2.28565037   0.89461424  -1.56188844
 H   -2.53834877   3.09622822  -2.50529779
 H   -2.56923823   3.26953073  -0.73752845
 N   -0.77107880   3.95661573  -1.55692978
 H   -0.26568189   3.89812436  -2.44800270
 H   -1.11628176   4.91974232  -1.49923958
 20
 Energy -2240.602596023  Dipole 3.481494 Gradient 0.00037141
 C    0.00000000   0.00000000   0.00000000
 C    1.35306981   0.00000000   0.00000000
 S    2.76001788  -1.05938354   0.16856965
 S    2.18287486  -3.07656030   0.10945851
 S    0.93074635  -3.12121021   1.81105770
 S   -0.94657338  -3.10918655   0.99470894
 S   -1.21999694  -1.30427394  -0.20830761
 H    1.79885226   1.00744219   0.00000000
 C   -0.71283673   1.34379874  -0.08984220
 C   -1.42849212   1.59556039  -1.43123039
 H   -1.44720467   1.41254390   0.73247990
 H    0.02001765   2.15753016   0.04217341
 C   -1.91456307   3.04673868  -1.55169630
 H   -0.73101074   1.37329377  -2.26032725
 H   -2.29039752   0.91552804  -1.54863309
 H   -2.54218222   3.13044952  -2.46519674
 H   -2.57369343   3.27678103  -0.69489825
 N   -0.77585428   3.97742755  -1.50324958
 H   -0.27014588   3.93377061  -2.39490153
 H   -1.12151304   4.93925760  -1.42933324
 20
 Energy -2240.602267534  Dipole 3.478224 Gradient 0.00004522
 C    0.00000000   0.00000000   0.00000000
 C    1.35291218   0.00000000   0.00000000
 S    2.76049683  -1.05794773   0.17551784
 S    2.18774895  -3.07149469   0.07842337
 S    0.92120707  -3.14622007   1.77308492
 S   -0.93738176  -3.13991945   0.92612733
 S   -1.24311222  -1.28187679  -0.19361573
 H    1.79723950   1.00788565   0.00000000
 C   -0.71007940   1.34764515  -0.07453301
 C   -1.43121652   1.61990264  -1.40842040
 H   -1.43940018   1.41007271   0.75268092
 H    0.02674274   2.15664850   0.06356390
 C   -1.91708484   3.07314506  -1.50208149
 H   -0.73733293   1.41041497  -2.24382184
 H   -2.29424764   0.94278672  -1.53368767
 H   -2.54428596   3.17407640  -2.41413467
 H   -2.57659851   3.28706880  -0.64145671
 N   -0.77866450   4.00307531  -1.43532200
 H   -0.27266022   3.97679003  -2.32751380
 H   -1.12455998   4.96322216  -1.34303369
 20
 Energy -2240.602154561  Dipole 3.483154  ZPE 0.137410  G(298.15) 59.45
 C    0.00000000   0.00000000   0.00000000
 C    1.35276678   0.00000000   0.00000000
 S    2.76060590  -1.05666890   0.18335643
 S    2.19236199  -3.06627502   0.05153601
 S    0.91203021  -3.16999112   1.73827041
 S   -0.92840910  -3.16609216   0.85957169
 S   -1.26450552  -1.26104306  -0.17448293
 H    1.79557251   1.00837485   0.00000000
 C   -0.70768954   1.35109859  -0.05990878
 C   -1.43344528   1.64267503  -1.38657381
 H   -1.43273075   1.40679131   0.77153878
 H    0.03239347   2.15581561   0.08490041
 C   -1.91911264   3.09742603  -1.45484374
 H   -0.74244561   1.44563941  -2.22733480
 H   -2.29729370   0.96823313  -1.51973635
 H   -2.54553295   3.21461927  -2.36542501
 H   -2.57949757   3.29564256  -0.59109594
 N   -0.78105732   4.02630001  -1.37014592
 H   -0.27466177   4.01745378  -2.26243514
 H   -1.12715611   4.98435898  -1.25908863
 20
 Energy -2240.602259121  Dipole 3.495780 Gradient 0.00004522
 C    0.00000000   0.00000000   0.00000000
 C    1.35265327   0.00000000   0.00000000
 S    2.76076742  -1.05563636   0.18876938
 S    2.19678533  -3.06096410   0.02496637
 S    0.90493822  -3.19382797   1.70383966
 S   -0.91867503  -3.18837990   0.79386671
 S   -1.28397205  -1.24203739  -0.15107193
 H    1.79418169   1.00875474   0.00000000
 C   -0.70554469   1.35415595  -0.04532715
 C   -1.43612795   1.66480864  -1.36436529
 H   -1.42622989   1.40332108   0.79032432
 H    0.03764219   2.15455677   0.10648150
 C   -1.92138061   3.12072168  -1.40679970
 H   -0.74830582   1.48042808  -2.21054012
 H   -2.30076447   0.99305121  -1.50499008
 H   -2.54810331   3.25464466  -2.31484038
 H   -2.58126600   3.30331836  -0.53924546
 N   -0.78318667   4.04785100  -1.30559443
 H   -0.27849830   4.05721456  -2.19879902
 H   -1.12889507   5.00339168  -1.17386293
 20
 Energy -2240.602575903  Dipole 3.510953 Gradient 0.00035047
 C    0.00000000   0.00000000   0.00000000
 C    1.35259581   0.00000000   0.00000000
 S    2.76043406  -1.05487132   0.19437338
 S    2.20132600  -3.05567378  -0.00339208
 S    0.89699180  -3.22085710   1.66492368
 S   -0.90992183  -3.20818724   0.72222181
 S   -1.30094629  -1.22487218  -0.12787655
 H    1.79304842   1.00909115   0.00000000
 C   -0.70321594   1.35714701  -0.02893988
 C   -1.43773054   1.68886020  -1.33997267
 H   -1.41972772   1.39907281   0.81070454
 H    0.04334768   2.15259936   0.13115586
 C   -1.92214109   3.14557390  -1.35502775
 H   -0.75271947   1.51817741  -2.19127095
 H   -2.30319965   1.02024467  -1.48947535
 H   -2.54837181   3.29723074  -2.26060654
 H   -2.58233771   3.31175323  -0.48443388
 N   -0.78379789   4.07046959  -1.23526144
 H   -0.27821077   4.09621327  -2.12772320
 H   -1.12984251   5.02349622  -1.08704046
 20
 Energy -2240.603086649  Dipole 3.530244 Gradient 0.00069013
 C    0.00000000   0.00000000   0.00000000
 C    1.35258822   0.00000000   0.00000000
 S    2.75989310  -1.05400121   0.20144888
 S    2.20655225  -3.05052788  -0.02718007
 S    0.88965726  -3.24703204   1.62908118
 S   -0.90118422  -3.22391168   0.65382227
 S   -1.31553954  -1.21028212  -0.10090391
 H    1.79185352   1.00945666   0.00000000
 C   -0.70146739   1.35945398  -0.01309357
 C   -1.43947719   1.71079045  -1.31632102
 H   -1.41440974   1.39390479   0.83005578
 H    0.04756011   2.15053417   0.15592522
 C   -1.92330052   3.16773728  -1.30606941
 H   -0.75673737   1.55335235  -2.17194166
 H   -2.30539119   1.04490325  -1.47414802
 H   -2.54846862   3.33571507  -2.20943226
 H   -2.58440412   3.31850994  -0.43330393
 N   -0.78494815   4.09017979  -1.16827739
 H   -0.27672049   4.13036136  -2.05862261
 H   -1.13110030   5.04073976  -1.00520873
 20
 Energy -2240.603776083  Dipole 3.558255 Gradient 0.00100340
 C    0.00000000   0.00000000   0.00000000
 C    1.35265862   0.00000000   0.00000000
 S    2.75944893  -1.05362136   0.20562677
 S    2.21249370  -3.04547142  -0.05655523
 S    0.88352962  -3.27704328   1.58607532
 S   -0.89192273  -3.23741094   0.57868787
 S   -1.32729038  -1.19825509  -0.07475379
 H    1.79106428   1.00976828   0.00000000
 C   -0.70015491   1.36109717   0.00473679
 C   -1.44109147   1.73424564  -1.28998042
 H   -1.40993278   1.38650071   0.85099108
 H    0.05106224   2.14764576   0.18421076
 C   -1.92450661   3.19087864  -1.25122115
 H   -0.76062049   1.59218293  -2.15009158
 H   -2.30729203   1.07131437  -1.45769531
 H   -2.54912015   3.37726396  -2.15138541
 H   -2.58600629   3.32442074  -0.37598891
 N   -0.78602006   4.11021729  -1.09414608
 H   -0.27736032   4.16807829  -1.98338616
 H   -1.13204430   5.05745656  -0.91253022
 20
 Energy -2240.604618992  Dipole 3.589448 Gradient 0.00128467
 C    0.00000000   0.00000000   0.00000000
 C    1.35273906   0.00000000   0.00000000
 S    2.75877549  -1.05274149   0.21283446
 S    2.21981428  -3.04051633  -0.07955256
 S    0.87729581  -3.30553295   1.54696050
 S   -0.88235208  -3.24702756   0.50642498
 S   -1.33609138  -1.18928500  -0.04757386
 H    1.79015982   1.01009781   0.00000000
 C   -0.69922382   1.36207036   0.01956275
 C   -1.44104724   1.75488271  -1.26802115
 H   -1.40765914   1.37908779   0.86742155
 H    0.05322896   2.14452250   0.21054480
 C   -1.92468073   3.21051063  -1.20338908
 H   -0.76119396   1.62749306  -2.13085459
 H   -2.30685325   1.09429524  -1.44593330
 H   -2.54788686   3.41368578  -2.10083829
 H   -2.58763441   3.32760300  -0.32685043
 N   -0.78668443   4.12716336  -1.02720635
 H   -0.27634977   4.20187493  -1.91411775
 H   -1.13348990   5.07068093  -0.82847726
 20
 Energy -2240.605599594  Dipole 3.623602 Gradient 0.00152825
 C    0.00000000   0.00000000   0.00000000
 C    1.35290120   0.00000000   0.00000000
 S    2.75812168  -1.05240095   0.21719995
 S    2.22799067  -3.03579019  -0.10727840
 S    0.87227844  -3.33715456   1.50131408
 S   -0.87226079  -3.25411677   0.42934692
 S   -1.34233702  -1.18274407  -0.02104364
 H    1.78960186   1.01041522   0.00000000
 C   -0.69851621   1.36247513   0.03704235
 C   -1.44042174   1.77692597  -1.24294688
 H   -1.40635536   1.36906186   0.88575801
 H    0.05456232   2.14080406   0.24163015
 C   -1.92480794   3.23084958  -1.15023231
 H   -0.76080141   1.66619841  -2.10826684
 H   -2.30553312   1.11886574  -1.43267909
 H   -2.54665269   3.45186441  -2.04440748
 H   -2.58915559   3.33012341  -0.27254626
 N   -0.78750973   4.14437204  -0.95355554
 H   -0.27597153   4.23743771  -1.83815098
 H   -1.13508908   5.08351377  -0.73637093
 20
 Energy -2240.606686285  Dipole 3.658967 Gradient 0.00172901
 C    0.00000000   0.00000000   0.00000000
 C    1.35305326   0.00000000   0.00000000
 S    2.75740173  -1.05194268   0.22282008
 S    2.23711866  -3.03143879  -0.13143864
 S    0.86750093  -3.36824524   1.45705273
 S   -0.86196485  -3.25768605   0.35463785
 S   -1.34615782  -1.17885663   0.00603766
 H    1.78896728   1.01069650   0.00000000
 C   -0.69820995   1.36225906   0.05261251
 C   -1.43900368   1.79701006  -1.22056840
 H   -1.40668122   1.35858004   0.90120352
 H    0.05468146   2.13671851   0.27142548
 C   -1.92449653   3.24869913  -1.10139906
 H   -0.75860208   1.70251292  -2.08713681
 H   -2.30305631   1.14131071  -1.42219867
 H   -2.54454047   3.48664823  -1.99241340
 H   -2.59078059   3.33058264  -0.22334921
 N   -0.78820946   4.15909765  -0.88452389
 H   -0.27473566   4.26958560  -1.76589129
 H   -1.13719559   5.09362506  -0.65022592
 20
 Energy -2240.60784832  Dipole 3.696780 Gradient 0.00188585
 C    0.00000000   0.00000000   0.00000000
 C    1.35326220   0.00000000   0.00000000
 S    2.75658633  -1.05148140   0.22906172
 S    2.24814697  -3.02714730  -0.15650319
 S    0.86293106  -3.40131133   1.40837220
 S   -0.85089368  -3.25889614   0.27608362
 S   -1.34734574  -1.17780577   0.03003657
 H    1.78857429   1.01103927   0.00000000
 C   -0.69847410   1.36127803   0.06795725
 C   -1.43598723   1.81682978  -1.19917294
 H   -1.40936196   1.34614284   0.91470082
 H    0.05328078   2.13200019   0.30292707
 C   -1.92358870   3.26547982  -1.05336855
 H   -0.75329862   1.73971689  -2.06567191
 H   -2.29820108   1.16325754  -1.41483316
 H   -2.54083303   3.52063256  -1.94156704
 H   -2.59289765   3.32931343  -0.17611940
 N   -0.78900801   4.17264487  -0.81421270
 H   -0.27285090   4.30171656  -1.69160762
 H   -1.13988469   5.10186888  -0.56235740
 20
 Energy -2240.609058443  Dipole 3.733405 Gradient 0.00199646
 C    0.00000000   0.00000000   0.00000000
 C    1.35356722   0.00000000   0.00000000
 S    2.75472232  -1.05227912   0.23763823
 S    2.25935449  -3.02396736  -0.17989977
 S    0.85654068  -3.43553335   1.35774616
 S   -0.84071925  -3.25704677   0.19641440
 S   -1.34681991  -1.17845184   0.05151365
 H    1.78827160   1.01114777   0.00000000
 C   -0.69880397   1.36000225   0.08225552
 C   -1.43037075   1.83653668  -1.17997278
 H   -1.41422426   1.33314240   0.92534965
 H    0.05094763   2.12668608   0.33583062
 C   -1.92056723   3.28160239  -1.00842014
 H   -0.74350099   1.77712041  -2.04450000
 H   -2.29004856   1.18513487  -1.41143000
 H   -2.53354641   3.55384570  -1.89443103
 H   -2.59435077   3.32731967  -0.13343599
 N   -0.78808856   4.18505328  -0.74543502
 H   -0.26768693   4.33184894  -1.61740653
 H   -1.14144749   5.10878068  -0.47724273
 20
 Energy -2240.61030949  Dipole 3.771429 Gradient 0.00206539
 C    0.00000000   0.00000000   0.00000000
 C    1.35369271   0.00000000   0.00000000
 S    2.75338654  -1.05218696   0.24485317
 S    2.27376594  -3.01998136  -0.20653738
 S    0.85300243  -3.47159836   1.30087382
 S   -0.82782887  -3.25350845   0.11330061
 S   -1.34349750  -1.18219655   0.07010798
 H    1.78829694   1.01141685   0.00000000
 C   -0.69998289   1.35771279   0.09699927
 C   -1.42470634   1.85556719  -1.16035153
 H   -1.42084217   1.31772514   0.93528823
 H    0.04689477   2.12045487   0.36998458
 C   -1.91907365   3.29594358  -0.96244376
 H   -0.73270056   1.81506701  -2.02188227
 H   -2.28107438   1.20624991  -1.40904091
 H   -2.52742666   3.58537288  -1.84620613
 H   -2.59794995   3.32237502  -0.09062247
 N   -0.78985617   4.19592099  -0.67400568
 H   -0.26437855   4.36127797  -1.53973486
 H   -1.14663294   5.11349977  -0.38971125
 20
 Energy -2240.611546679  Dipole 3.808869 Gradient 0.00207785
 C    0.00000000   0.00000000   0.00000000
 C    1.35377995   0.00000000   0.00000000
 S    2.75224938  -1.05192070   0.25097080
 S    2.29035407  -3.01590335  -0.23467720
 S    0.85122071  -3.50841136   1.23966156
 S   -0.81336857  -3.24759179   0.02906137
 S   -1.33816730  -1.18803282   0.08622342
 H    1.78801751   1.01158732   0.00000000
 C   -0.70145001   1.35507351   0.11083648
 C   -1.41844397   1.87371965  -1.14203750
 H   -1.42864455   1.30181734   0.94339497
 H    0.04160075   2.11408067   0.40366788
 C   -1.91786385   3.30874392  -0.91843192
 H   -0.72051657   1.85236522  -1.99943718
 H   -2.27095450   1.22653511  -1.40873124
 H   -2.52111505   3.61501777  -1.79998922
 H   -2.60292898   3.31550857  -0.05099063
 N   -0.79277823   4.20526370  -0.60366250
 H   -0.26197009   4.38972286  -1.46215535
 H   -1.15394748   5.11593296  -0.30307030
 20
 Energy -2240.612769194  Dipole 3.846175 Gradient 0.00205493
 C    0.00000000   0.00000000   0.00000000
 C    1.35395223   0.00000000   0.00000000
 S    2.75004374  -1.05305011   0.25935098
 S    2.30735275  -3.01278874  -0.26146998
 S    0.84795193  -3.54578438   1.17566291
 S   -0.79939845  -3.23902511  -0.05579738
 S   -1.33190605  -1.19489109   0.09867058
 H    1.78821071   1.01170397   0.00000000
 C   -0.70308059   1.35229043   0.12287548
 C   -1.40967414   1.89153855  -1.12684717
 H   -1.43846750   1.28591662   0.94763617
 H    0.03549537   2.10717214   0.43701361
 C   -1.91471682   3.32081674  -0.87940862
 H   -0.70416256   1.88877088  -1.97828358
 H   -2.25774266   1.24681878  -1.41287346
 H   -2.51061245   3.64355683  -1.76005456
 H   -2.60723546   3.30874361  -0.01800346
 N   -0.79454770   4.21337958  -0.53645254
 H   -0.25689057   4.41679993  -1.38647306
 H   -1.16065293   5.11686688  -0.22057928
 20
 Energy -2240.613952316  Dipole 3.883749 Gradient 0.00200371
 C    0.00000000   0.00000000   0.00000000
 C    1.35404234   0.00000000   0.00000000
 S    2.74735987  -1.05458496   0.26819324
 S    2.32610311  -3.00934251  -0.29045056
 S    0.84563054  -3.58424117   1.10558870
 S   -0.78416976  -3.22843912  -0.14319330
 S   -1.32416312  -1.20341090   0.10707521
 H    1.78853569   1.01159667   0.00000000
 C   -0.70537889   1.34900466   0.13478250
 C   -1.39984178   1.90904716  -1.11224637
 H   -1.45016254   1.26856574   0.95027091
 H    0.02779482   2.09936469   0.47149491
 C   -1.91159311   3.33193608  -0.84172657
 H   -0.68529235   1.92515444  -1.95593080
 H   -2.24257004   1.26701387  -1.41935285
 H   -2.49892244   3.67094802  -1.72196866
 H   -2.61312821   3.30052683   0.01188767
 N   -0.79752149   4.22023060  -0.46869447
 H   -0.25214596   4.44328245  -1.30872166
 H   -1.16966963   5.11576387  -0.13751716
 20
 Energy -2240.615083962  Dipole 3.921142 Gradient 0.00193315
 C    0.00000000   0.00000000   0.00000000
 C    1.35411936   0.00000000   0.00000000
 S    2.74391205  -1.05693830   0.27807469
 S    2.34597283  -3.00585729  -0.32016981
 S    0.84391752  -3.62281115   1.03145786
 S   -0.76820815  -3.21579262  -0.23085471
 S   -1.31539786  -1.21295321   0.11209042
 H    1.78918769   1.01141630   0.00000000
 C   -0.70798749   1.34551574   0.14557450
 C   -1.38871173   1.92587447  -1.09950829
 H   -1.46321767   1.25113757   0.95022600
 H    0.01891241   2.09134517   0.50529081
 C   -1.90802387   3.34196094  -0.80760766
 H   -0.66409209   1.96037388  -1.93399510
 H   -2.22541725   1.28682394  -1.42845997
 H   -2.48575643   3.69680003  -1.68796213
 H   -2.61974771   3.29171050   0.03660107
 N   -0.80119397   4.22580896  -0.40336380
 H   -0.24711933   4.46826847  -1.23233984
 H   -1.18012587   5.11301316  -0.05782789
 20
 Energy -2240.616165011  Dipole 3.958447 Gradient 0.00183672
 C    0.00000000   0.00000000   0.00000000
 C    1.35418828   0.00000000   0.00000000
 S    2.73981441  -1.06011588   0.28790958
 S    2.36692299  -3.00178608  -0.35250061
 S    0.84355477  -3.66142508   0.95160030
 S   -0.75135575  -3.20128945  -0.31948772
 S   -1.30562294  -1.22350669   0.11364531
 H    1.78980229   1.01118480   0.00000000
 C   -0.71088266   1.34181431   0.15590602
 C   -1.37701195   1.94224569  -1.08744056
 H   -1.47696083   1.23375436   0.94887190
 H    0.00929818   2.08269200   0.53853612
 C   -1.90471849   3.35108341  -0.77525653
 H   -0.64163622   1.99486331  -1.91149233
 H   -2.20702012   1.30638803  -1.43880475
 H   -2.47169497   3.72153355  -1.65612853
 H   -2.62746038   3.28216088   0.05818037
 N   -0.80616829   4.23012271  -0.33892934
 H   -0.24301103   4.49179665  -1.15574811
 H   -1.19241482   5.10860097   0.02055896
 20
 Energy -2240.617174186  Dipole 3.995026 Gradient 0.00173934
 C    0.00000000   0.00000000   0.00000000
 C    1.35426033   0.00000000   0.00000000
 S    2.73477621  -1.06436547   0.29821263
 S    2.38818334  -2.99718329  -0.38655684
 S    0.84400889  -3.69927223   0.86741410
 S   -0.73426940  -3.18479488  -0.40773560
 S   -1.29528574  -1.23451565   0.11213818
 H    1.79075249   1.01082634   0.00000000
 C   -0.71379211   1.33820710   0.16541339
 C   -1.36447965   1.95804713  -1.07655845
 H   -1.49096127   1.21725163   0.94585757
 H   -0.00039592   2.07388673   0.57018771
 C   -1.90109912   3.35949760  -0.74597079
 H   -0.61780332   2.02807917  -1.88908290
 H   -2.18719082   1.32560775  -1.45051750
 H   -2.45637621   3.74484611  -1.62791418
 H   -2.63572425   3.27279333   0.07531142
 N   -0.81190845   4.23343744  -0.27688959
 H   -0.23845286   4.51374959  -1.08034336
 H   -1.20668211   5.10304414   0.09465780
 20
 Energy -2240.618104328  Dipole 4.031743 Gradient 0.00164589
 C    0.00000000   0.00000000   0.00000000
 C    1.35428802   0.00000000   0.00000000
 S    2.72865579  -1.06970580   0.30954605
 S    2.40935532  -2.99202749  -0.42066096
 S    0.84542601  -3.73539648   0.78180901
 S   -0.71733231  -3.16688597  -0.49285280
 S   -1.28456291  -1.24580548   0.10894195
 H    1.79183528   1.01031140   0.00000000
 C   -0.71701808   1.33455310   0.17339546
 C   -1.35136007   1.97254691  -1.06782018
 H   -1.50553220   1.20080394   0.94056200
 H   -0.01132809   2.06500839   0.60044298
 C   -1.89749721   3.36664168  -0.72148046
 H   -0.59297616   2.05952876  -1.86771562
 H   -2.16591902   1.34339149  -1.46450594
 H   -2.43977862   3.76566383  -1.60539228
 H   -2.64481139   3.26360320   0.08633486
 N   -0.81873568   4.23562866  -0.21991343
 H   -0.23433721   4.53292509  -1.00916013
 H   -1.22259848   5.09677568   0.16148357
 20
 Energy -2240.619029312  Dipole 4.067343 Gradient 0.00154977
 C    0.00000000   0.00000000   0.00000000
 C    1.35434667   0.00000000   0.00000000
 S    2.72173107  -1.07611812   0.32015965
 S    2.43008531  -2.98570396  -0.45720685
 S    0.84840527  -3.76972377   0.69329979
 S   -0.70076609  -3.14773091  -0.57548454
 S   -1.27342597  -1.25739953   0.10442598
 H    1.79340210   1.00961568   0.00000000
 C   -0.72057099   1.33082931   0.18092205
 C   -1.33852025   1.98607800  -1.05961317
 H   -1.52038972   1.18475863   0.93413826
 H   -0.02286487   2.05609137   0.62945244
 C   -1.89461129   3.37287156  -0.69940888
 H   -0.56861886   2.08737133  -1.84676258
 H   -2.14508203   1.36047362  -1.47770552
 H   -2.42411526   3.78474375  -1.58519760
 H   -2.65445351   3.25413696   0.09443833
 N   -0.82705732   4.23686593  -0.16622522
 H   -0.23176662   4.55013954  -0.94109765
 H   -1.24001608   5.08970417   0.22394379
 20
 Energy -2240.619875098  Dipole 4.102625 Gradient 0.00145655
 C    0.00000000   0.00000000   0.00000000
 C    1.35438022   0.00000000   0.00000000
 S    2.71389661  -1.08366404   0.33014195
 S    2.44975092  -2.97829240  -0.49571986
 S    0.85242930  -3.80172981   0.60288762
 S   -0.68514106  -3.12748899  -0.65520295
 S   -1.26223634  -1.26891398   0.09863028
 H    1.79511576   1.00875576   0.00000000
 C   -0.72411178   1.32726794   0.18746651
 C   -1.32604267   1.99836092  -1.05259153
 H   -1.53468881   1.17009791   0.92699648
 H   -0.03417109   2.04742254   0.65579552
 C   -1.89197856   3.37825813  -0.68070367
 H   -0.54506744   2.11292930  -1.82693127
 H   -2.12449439   1.37617642  -1.49090959
 H   -2.40842909   3.80175101  -1.56871281
 H   -2.66426767   3.24526362   0.09874069
 N   -0.83623069   4.23746192  -0.11715206
 H   -0.23001456   4.56528291  -0.87732291
 H   -1.25862596   5.08244955   0.27995410
 20
 Energy -2240.620677615  Dipole 4.137241 Gradient 0.00137768
 C    0.00000000   0.00000000   0.00000000
 C    1.35443522   0.00000000   0.00000000
 S    2.70511324  -1.09234861   0.33976941
 S    2.46784753  -2.97018753  -0.53430132
 S    0.85714562  -3.83092318   0.51374508
 S   -0.67098625  -3.10691827  -0.72956194
 S   -1.25108159  -1.28015914   0.09285861
 H    1.79701718   1.00786968   0.00000000
 C   -0.72763290   1.32392527   0.19231640
 C   -1.31397861   2.00871724  -1.04788920
 H   -1.54838536   1.15702467   0.91843216
 H   -0.04545256   2.03955773   0.67862873
 C   -1.88969836   3.38229593  -0.66714713
 H   -0.52230884   2.13544859  -1.80937197
 H   -2.10396458   1.38944281  -1.50527703
 H   -2.39302299   3.81577367  -1.55789300
 H   -2.67406327   3.23702019   0.09787777
 N   -0.84594735   4.23728686  -0.07547812
 H   -0.22919757   4.57782391  -0.82151577
 H   -1.27763396   5.07517220   0.32661898
 20
 Energy -2240.621438344  Dipole 4.170877 Gradient 0.00130166
 C    0.00000000   0.00000000   0.00000000
 C    1.35446567   0.00000000   0.00000000
 S    2.69590904  -1.10169009   0.34817915
 S    2.48451140  -2.96068443  -0.57410776
 S    0.86297207  -3.85722952   0.42518586
 S   -0.65819950  -3.08614712  -0.79920169
 S   -1.23981064  -1.29124322   0.08740990
 H    1.79904066   1.00683628   0.00000000
 C   -0.73114719   1.32073836   0.19627441
 C   -1.30283108   2.01741307  -1.04436834
 H   -1.56138654   1.14498889   0.90947771
 H   -0.05645647   2.03230105   0.69875211
 C   -1.88823050   3.38511524  -0.65688964
 H   -0.50112828   2.15452638  -1.79346096
 H   -2.08452387   1.40057877  -1.51902660
 H   -2.37928911   3.82709802  -1.55029096
 H   -2.68375212   3.22881166   0.09429782
 N   -0.85652056   4.23655393  -0.03958233
 H   -0.23009902   4.58848680  -0.77207925
 H   -1.29733569   5.06785114   0.36628106
 20
 Energy -2240.622166736  Dipole 4.202960 Gradient 0.00123928
 C    0.00000000   0.00000000   0.00000000
 C    1.35449385   0.00000000   0.00000000
 S    2.68615302  -1.11195416   0.35485163
 S    2.49937882  -2.94951438  -0.61666946
 S    0.86929171  -3.88071164   0.33530439
 S   -0.64726549  -3.06468112  -0.86618372
 S   -1.22889349  -1.30193155   0.08148953
 H    1.80121196   1.00577477   0.00000000
 C   -0.73444148   1.31769665   0.19999341
 C   -1.29284042   2.02513303  -1.04079572
 H   -1.57259643   1.13437200   0.90193109
 H   -0.06645761   2.02546160   0.71659946
 C   -1.88734859   3.38742599  -0.64774098
 H   -0.48217137   2.17174434  -1.77846786
 H   -2.06661023   1.41072646  -1.53125928
 H   -2.36661484   3.83703423  -1.54377109
 H   -2.69334486   3.22126952   0.09002660
 N   -0.86746481   4.23558930  -0.00677019
 H   -0.23199233   4.59771574  -0.72644495
 H   -1.31696686   5.06086997   0.40180155
 20
 Energy -2240.622857317  Dipole 4.233099 Gradient 0.00118197
 C    0.00000000   0.00000000   0.00000000
 C    1.35454266   0.00000000   0.00000000
 S    2.67587089  -1.12288093   0.36068571
 S    2.51238253  -2.93746967  -0.65883977
 S    0.87581472  -3.90109961   0.24832607
 S   -0.63832705  -3.04360748  -0.92753200
 S   -1.21834417  -1.31212304   0.07648071
 H    1.80357737   1.00455635   0.00000000
 C   -0.73757296   1.31497872   0.20241865
 C   -1.28383556   2.03086961  -1.03921265
 H   -1.58337549   1.12451514   0.89317799
 H   -0.07620290   2.01971192   0.73150283
 C   -1.88715018   3.38845999  -0.64291045
 H   -0.46501322   2.18546917  -1.76608343
 H   -2.05004827   1.41789369  -1.54326500
 H   -2.35538718   3.84408343  -1.54174274
 H   -2.70269582   3.21417681   0.08239160
 N   -0.87865654   4.23427432   0.01883798
 H   -0.23477307   4.60460336  -0.68902444
 H   -1.33637237   5.05458429   0.42831480
 20
 Energy -2240.623527056  Dipole 4.261734 Gradient 0.00113227
 C    0.00000000   0.00000000   0.00000000
 C    1.35455396   0.00000000   0.00000000
 S    2.66538470  -1.13411671   0.36522532
 S    2.52373898  -2.92425472  -0.70123600
 S    0.88259906  -3.91857091   0.16338983
 S   -0.63106524  -3.02278746  -0.98449991
 S   -1.20804870  -1.32193675   0.07206516
 H    1.80593508   1.00337114   0.00000000
 C   -0.74092220   1.31228457   0.20379832
 C   -1.27557956   2.03508991  -1.03913635
 H   -1.59386401   1.11554972   0.88387970
 H   -0.08621618   2.01473504   0.74411451
 C   -1.88762127   3.38836166  -0.64126393
 H   -0.44906360   2.19685126  -1.75567821
 H   -2.03413090   1.42300754  -1.55570352
 H   -2.34577699   3.84847236  -1.54302048
 H   -2.71180724   3.20696563   0.07240900
 N   -0.89019034   4.23278816   0.03870584
 H   -0.23869382   4.61003296  -0.65851903
 H   -1.35562508   5.04881743   0.44800196
 20
 Energy -2240.624165321  Dipole 4.287938 Gradient 0.00108897
 C    0.00000000   0.00000000   0.00000000
 C    1.35457688   0.00000000   0.00000000
 S    2.65479995  -1.14579803   0.36820049
 S    2.53315829  -2.91011204  -0.74399905
 S    0.88909844  -3.93338813   0.08040821
 S   -0.62570835  -3.00207104  -1.03750884
 S   -1.19813820  -1.33121449   0.06828673
 H    1.80844376   1.00206539   0.00000000
 C   -0.74400307   1.30990598   0.20423561
 C   -1.26797146   2.03806366  -1.04026813
 H   -1.60324328   1.10818105   0.87483142
 H   -0.09525742   2.01055522   0.75399966
 C   -1.88830874   3.38756413  -0.64232323
 H   -0.43440539   2.20592543  -1.74722075
 H   -2.01908556   1.42653263  -1.56833408
 H   -2.33734248   3.85087574  -1.54704273
 H   -2.72019355   3.20013629   0.06077013
 N   -0.90143668   4.23143435   0.05348663
 H   -0.24310942   4.61437150  -0.63408900
 H   -1.37419289   5.04384731   0.46161262
 20
 Energy -2240.624783602  Dipole 4.311835 Gradient 0.00105027
 C    0.00000000   0.00000000   0.00000000
 C    1.35459961   0.00000000   0.00000000
 S    2.64423710  -1.15743582   0.37042655
 S    2.54128204  -2.89533497  -0.78538130
 S    0.89562050  -3.94557664   0.00128354
 S   -0.62180807  -2.98223921  -1.08566565
 S   -1.18850738  -1.34018867   0.06556036
 H    1.81091956   1.00080791   0.00000000
 C   -0.74688447   1.30779597   0.20337248
 C   -1.26140375   2.03897988  -1.04367740
 H   -1.61165853   1.10227210   0.86553516
 H   -0.10361741   2.00765265   0.76054667
 C   -1.88962287   3.38548040  -0.64769377
 H   -0.42157952   2.21122886  -1.74210011
 H   -2.00579470   1.42677956  -1.58037276
 H   -2.33036799   3.85032135  -1.55572998
 H   -2.72840326   3.19328713   0.04579622
 N   -0.91287224   4.23008262   0.06133455
 H   -0.24846158   4.61745601  -0.61789972
 H   -1.39254093   5.03960809   0.46709528
 20
 Energy -2240.625381404  Dipole 4.330380 Gradient 0.00101319
 C    0.00000000   0.00000000   0.00000000
 C    1.35459738   0.00000000   0.00000000
 S    2.63385701  -1.16893462   0.37132699
 S    2.54816415  -2.87982118  -0.82621777
 S    0.90201915  -3.95529019  -0.07506425
 S   -0.61942846  -2.96298110  -1.12982294
 S   -1.17916972  -1.34878225   0.06391397
 H    1.81337885   0.99949394   0.00000000
 C   -0.74953947   1.30595744   0.20186308
 C   -1.25628933   2.03821607  -1.04802611
 H   -1.61886257   1.09754896   0.85703577
 H   -0.11100167   2.00573919   0.76454160
 C   -1.89171153   3.38242591  -0.65569976
 H   -0.41130014   2.21359391  -1.73940829
 H   -1.99462308   1.42465977  -1.59150470
 H   -2.32492732   3.84732152  -1.56734914
 H   -2.73668906   3.18682401   0.02928793
 N   -0.92435201   4.22870306   0.06401889
 H   -0.25317529   4.61700810  -0.60798141
 H   -1.40979852   5.03761163   0.46412793
 20
 Energy -2240.625956174  Dipole 4.348718 Gradient 0.00097774
 C    0.00000000   0.00000000   0.00000000
 C    1.35457878   0.00000000   0.00000000
 S    2.62365540  -1.18053339   0.37057329
 S    2.55375468  -2.86338162  -0.86769043
 S    0.90806751  -3.96288595  -0.15065855
 S   -0.61834457  -2.94357716  -1.17203340
 S   -1.17014135  -1.35705266   0.06238404
 H    1.81588285   0.99819021   0.00000000
 C   -0.75223591   1.30412491   0.20005632
 C   -1.25186438   2.03666323  -1.05268119
 H   -1.62565717   1.09296991   0.84874674
 H   -0.11838589   2.00422957   0.76763162
 C   -1.89430831   3.37877208  -0.66473525
 H   -0.40209121   2.21531201  -1.73740024
 H   -1.98390866   1.42143356  -1.60281361
 H   -2.32093879   3.84283948  -1.57993734
 H   -2.74464687   3.18050504   0.01277199
 N   -0.93548668   4.22726457   0.06359919
 H   -0.25923514   4.61713648  -0.60239050
 H   -1.42625147   5.03493113   0.45967844
 20
 Energy -2240.626511399  Dipole 4.367694 Gradient 0.00094136
 C    0.00000000   0.00000000   0.00000000
 C    1.35455648   0.00000000   0.00000000
 S    2.61375554  -1.19168870   0.36955089
 S    2.55836457  -2.84684895  -0.90671775
 S    0.91381762  -3.96853542  -0.22157517
 S   -0.61820583  -2.92514432  -1.20981910
 S   -1.16132365  -1.36505026   0.06204665
 H    1.81828331   0.99690340   0.00000000
 C   -0.75474971   1.30261754   0.19658517
 C   -1.24822872   2.03303717  -1.06019275
 H   -1.63167740   1.09005940   0.83995568
 H   -0.12493994   2.00430257   0.76669859
 C   -1.89722162   3.37377100  -0.67836445
 H   -0.39424419   2.21296576  -1.73926919
 H   -1.97494968   1.41501062  -1.61420317
 H   -2.31841073   3.83542084  -1.59731178
 H   -2.75202260   3.17371135  -0.00705560
 N   -0.94651399   4.22601205   0.05603597
 H   -0.26774759   4.61906516  -0.60546852
 H   -1.44312309   5.03136869   0.44951546
 20
 Energy -2240.627046009  Dipole 4.381666 Gradient 0.00090702
 C    0.00000000   0.00000000   0.00000000
 C    1.35452109   0.00000000   0.00000000
 S    2.60422242  -1.20289128   0.36636578
 S    2.56209008  -2.82876649  -0.94794476
 S    0.91917369  -3.97195744  -0.29446480
 S   -0.61893499  -2.90567956  -1.24828473
 S   -1.15277038  -1.37280645   0.06065389
 H    1.82075064   0.99559623   0.00000000
 C   -0.75700119   1.30117941   0.19377162
 C   -1.24573310   2.02910830  -1.06658230
 H   -1.63652868   1.08750425   0.83304392
 H   -0.13045388   2.00438653   0.76563111
 C   -1.90073840   3.36858450  -0.69075586
 H   -0.38840990   2.21020783  -1.74113923
 H   -1.96765867   1.40821716  -1.62367162
 H   -2.31695726   3.82769955  -1.61326058
 H   -2.75958233   3.16698216  -0.02509981
 N   -0.95773794   4.22471933   0.04901763
 H   -0.27541509   4.61876077  -0.60827575
 H   -1.45972276   5.02940330   0.43704042
 20
 Energy -2240.627559171  Dipole 4.392684 Gradient 0.00087455
 C    0.00000000   0.00000000   0.00000000
 C    1.35447438   0.00000000   0.00000000
 S    2.59491620  -1.21356262   0.36349824
 S    2.56500400  -2.81087009  -0.98611918
 S    0.92403660  -3.97374406  -0.36240411
 S   -0.62042189  -2.88716044  -1.28256621
 S   -1.14459917  -1.38017421   0.06049432
 H    1.82299047   0.99437643   0.00000000
 C   -0.75923098   1.29998086   0.18953744
 C   -1.24381594   2.02338360  -1.07529588
 H   -1.64112611   1.08589739   0.82526382
 H   -0.13587873   2.00568816   0.76179870
 C   -1.90479327   3.36212205  -0.70757085
 H   -0.38346830   2.20475106  -1.74592090
 H   -1.96097117   1.39865452  -1.63426681
 H   -2.31652962   3.81695389  -1.63421353
 H   -2.76724022   3.16019602  -0.04670328
 N   -0.96900971   4.22342633   0.03526131
 H   -0.28321082   4.61666006  -0.61888671
 H   -1.47570690   5.02832866   0.41666180
 20
 Energy -2240.628054662  Dipole 4.401995 Gradient 0.00084006
 C    0.00000000   0.00000000   0.00000000
 C    1.35442244   0.00000000   0.00000000
 S    2.58619870  -1.22379415   0.35948350
 S    2.56698722  -2.79231577  -1.02369779
 S    0.92842438  -3.97398234  -0.42838972
 S   -0.62275673  -2.86873498  -1.31460413
 S   -1.13661099  -1.38728823   0.06092902
 H    1.82520079   0.99317406   0.00000000
 C   -0.76130354   1.29888176   0.18488549
 C   -1.24282957   2.01655807  -1.08465342
 H   -1.64501835   1.08512439   0.81806521
 H   -0.14060343   2.00757896   0.75638250
 C   -1.90949206   3.35479907  -0.72567888
 H   -0.38009330   2.19762183  -1.75228257
 H   -1.95566009   1.38730956  -1.64416728
 H   -2.31786150   3.80435367  -1.65642229
 H   -2.77471371   3.15307483  -0.06838674
 N   -0.98017221   4.22211125   0.01816499
 H   -0.29204326   4.61441421  -0.63411711
 H   -1.49122423   5.02724496   0.39323691
 20
 Energy -2240.628530064  Dipole 4.408738 Gradient 0.00081388
 C    0.00000000   0.00000000   0.00000000
 C    1.35435379   0.00000000   0.00000000
 S    2.57779970  -1.23375525   0.35449515
 S    2.56797445  -2.77366229  -1.06091173
 S    0.93201951  -3.97260886  -0.49313335
 S   -0.62609284  -2.85027736  -1.34524918
 S   -1.12890310  -1.39413898   0.06141911
 H    1.82728172   0.99203962   0.00000000
 C   -0.76336713   1.29781068   0.17971301
 C   -1.24222525   2.00904919  -1.09468479
 H   -1.64863226   1.08455460   0.81075260
 H   -0.14557200   2.00989833   0.75015027
 C   -1.91436000   3.34691092  -0.74498841
 H   -0.37736636   2.18945506  -1.75975888
 H   -1.95095293   1.37514418  -1.65409771
 H   -2.32013484   3.79042372  -1.67976282
 H   -2.78177146   3.14580823  -0.09043094
 N   -0.99092257   4.22082650  -0.00167038
 H   -0.30078542   4.61136870  -0.65286292
 H   -1.50591590   5.02666229   0.36641607
 20
 Energy -2240.628981847  Dipole 4.413143 Gradient 0.00077175
 C    0.00000000   0.00000000   0.00000000
 C    1.35428824   0.00000000   0.00000000
 S    2.56968959  -1.24339040   0.34928775
 S    2.56830810  -2.75523730  -1.09650196
 S    0.93492403  -3.96996871  -0.55494340
 S   -0.63012654  -2.83222822  -1.37368944
 S   -1.12145675  -1.40070170   0.06238306
 H    1.82942151   0.99086548   0.00000000
 C   -0.76519755   1.29700482   0.17386074
 C   -1.24215862   2.00020578  -1.10598127
 H   -1.65143374   1.08518204   0.80384257
 H   -0.14900736   2.01297995   0.74117890
 C   -1.91947418   3.33810530  -0.76682218
 H   -0.37554489   2.17913744  -1.76916304
 H   -1.94709208   1.36086846  -1.66411572
 H   -2.32312504   3.77447951  -1.70591409
 H   -2.78873277   3.13841622  -0.11426474
 N   -1.00152257   4.21945187  -0.02558225
 H   -0.30982515   4.60758134  -0.67659698
 H   -1.52026359   5.02629848   0.33498584
 20
 Energy -2240.629409999  Dipole 4.415218 Gradient 0.00073922
 C    0.00000000   0.00000000   0.00000000
 C    1.35420734   0.00000000   0.00000000
 S    2.56213969  -1.25253130   0.34316491
 S    2.56798129  -2.73619002  -1.13156709
 S    0.93738268  -3.96610447  -0.61520921
 S   -0.63462990  -2.81419706  -1.40097429
 S   -1.11412193  -1.40709559   0.06325278
 H    1.83145332   0.98974223   0.00000000
 C   -0.76662758   1.29638637   0.16778550
 C   -1.24348175   1.99003338  -1.11746774
 H   -1.65289708   1.08721278   0.79844140
 H   -0.15106319   2.01682116   0.73012094
 C   -1.92596686   3.32799489  -0.78959801
 H   -0.37596807   2.16744893  -1.77992961
 H   -1.94475487   1.34465648  -1.67334147
 H   -2.32827259   3.75626303  -1.73299639
 H   -2.79649085   3.13024227  -0.13815762
 N   -1.01297685   4.21759000  -0.05213583
 H   -0.32035946   4.60287022  -0.70384988
 H   -1.53526911   5.02560019   0.30061500
 20
 Energy -2240.62983305  Dipole 4.414137 Gradient 0.00070604
 C    0.00000000   0.00000000   0.00000000
 C    1.35409806   0.00000000   0.00000000
 S    2.55512060  -1.26111167   0.33674310
 S    2.56691004  -2.71742024  -1.16512516
 S    0.93917263  -3.96105880  -0.67242858
 S   -0.63970621  -2.79686254  -1.42571937
 S   -1.10732326  -1.41318298   0.06488344
 H    1.83328628   0.98869586   0.00000000
 C   -0.76822499   1.29577283   0.16101884
 C   -1.24616685   1.97826842  -1.13008424
 H   -1.65417796   1.08888593   0.79276660
 H   -0.15392145   2.02139224   0.71803521
 C   -1.93360512   3.31651491  -0.81434517
 H   -0.37843503   2.15276309  -1.79299353
 H   -1.94477437   1.32586295  -1.68107404
 H   -2.33571608   3.73539385  -1.76206831
 H   -2.80460540   3.12119356  -0.16281655
 N   -1.02502862   4.21539001  -0.08282947
 H   -0.33212242   4.59693722  -0.73645083
 H   -1.55058795   5.02495191   0.26143273
 20
 Energy -2240.63023307  Dipole 4.411243 Gradient 0.00067497
 C    0.00000000   0.00000000   0.00000000
 C    1.35401453   0.00000000   0.00000000
 S    2.54866780  -1.26932338   0.32959089
 S    2.56530123  -2.69841513  -1.19822862
 S    0.94036144  -3.95490352  -0.72842611
 S   -0.64543547  -2.77941016  -1.44923761
 S   -1.10069397  -1.41893869   0.06674005
 H    1.83508343   0.98768421   0.00000000
 C   -0.76968219   1.29513694   0.15433394
 C   -1.25017556   1.96558482  -1.14233554
 H   -1.65408413   1.09153424   0.78917233
 H   -0.15546677   2.02626556   0.70420890
 C   -1.94204428   3.30431368  -0.83908776
 H   -0.38282264   2.13689552  -1.80659520
 H   -1.94630233   1.30597004  -1.68785106
 H   -2.34485214   3.71309239  -1.79093585
 H   -2.81289891   3.11214613  -0.18643150
 N   -1.03696417   4.21284063  -0.11527361
 H   -0.34437020   4.59001674  -0.77175900
 H   -1.56533165   5.02420697   0.22035039
 20
 Energy -2240.630607643  Dipole 4.407573 Gradient 0.00064561
 C    0.00000000   0.00000000   0.00000000
 C    1.35388165   0.00000000   0.00000000
 S    2.54219494  -1.27729842   0.32239409
 S    2.56287276  -2.67974223  -1.22996849
 S    0.94061538  -3.94815243  -0.78226852
 S   -0.65193691  -2.76222383  -1.47142830
 S   -1.09433664  -1.42450545   0.06855355
 H    1.83681380   0.98667439   0.00000000
 C   -0.77124089   1.29455314   0.14714268
 C   -1.25524235   1.95174705  -1.15523110
 H   -1.65429560   1.09395976   0.78468891
 H   -0.15723312   2.03160561   0.68931568
 C   -1.95137643   3.29100932  -0.86481560
 H   -0.38903571   2.11931718  -1.82194496
 H   -1.94979816   1.28455451  -1.69355555
 H   -2.35603947   3.68876296  -1.82056312
 H   -2.82123145   3.10250770  -0.20976584
 N   -1.04884061   4.20973371  -0.15081210
 H   -0.35752417   4.58196732  -0.81146070
 H   -1.57954600   5.02309141   0.17621777
 20
 Energy -2240.631038286  Dipole 4.399886 Gradient 0.00061546
 C    0.00000000   0.00000000   0.00000000
 C    1.35380357   0.00000000   0.00000000
 S    2.53594376  -1.28474758   0.31716524
 S    2.56165468  -2.66264725  -1.25714910
 S    0.94147636  -3.94136539  -0.83132512
 S   -0.65629771  -2.74622437  -1.49236637
 S   -1.08780251  -1.43000677   0.06896173
 H    1.83849747   0.98572367   0.00000000
 C   -0.77300237   1.29398268   0.13806161
 C   -1.25978655   1.93528723  -1.17147448
 H   -1.65499779   1.09855332   0.77863858
 H   -0.15925843   2.03786303   0.67122268
 C   -1.95986412   3.27568994  -0.89671426
 H   -0.39441866   2.09746404  -1.84059810
 H   -1.95241814   1.25926189  -1.70109437
 H   -2.36615382   3.66056277  -1.85705853
 H   -2.82890210   3.09232796  -0.23914386
 N   -1.06006773   4.20583214  -0.19421724
 H   -0.36980907   4.57183581  -0.85944410
 H   -1.59318688   5.02163007   0.12264254
 20
 Energy -2240.631308657  Dipole 4.392397 Gradient 0.00059011
 C    0.00000000   0.00000000   0.00000000
 C    1.35364494   0.00000000   0.00000000
 S    2.53047901  -1.29205979   0.30762682
 S    2.55741165  -2.64374003  -1.28928015
 S    0.93968997  -3.93238794  -0.88362600
 S   -0.66417719  -2.72810646  -1.51351112
 S   -1.08242299  -1.43479564   0.07075811
 H    1.84001123   0.98480922   0.00000000
 C   -0.77421686   1.29336630   0.13164843
 C   -1.26717961   1.92027701  -1.18261946
 H   -1.65303671   1.10121771   0.77737227
 H   -0.15948485   2.04332190   0.65500265
 C   -1.97078145   3.26123173  -0.92090656
 H   -0.40418633   2.07791273  -1.85589824
 H   -1.95922335   1.23678970  -1.70346691
 H   -2.38116918   3.63362607  -1.88444746
 H   -2.83729241   3.08260395  -0.25868114
 N   -1.07193380   4.20225013  -0.23194907
 H   -0.38420047   4.56183629  -0.90327967
 H   -1.60654532   5.02052777   0.07591947
 20
 Energy -2240.631639634  Dipole 4.381007 Gradient 0.00055517
 C    0.00000000   0.00000000   0.00000000
 C    1.35353293   0.00000000   0.00000000
 S    2.52577960  -1.29892163   0.29741549
 S    2.55131030  -2.62401961  -1.32158875
 S    0.93649094  -3.92227556  -0.93446033
 S   -0.67448981  -2.71040277  -1.53193790
 S   -1.07729784  -1.43938992   0.07458357
 H    1.84143359   0.98397764   0.00000000
 C   -0.77543502   1.29277054   0.12531841
 C   -1.27689835   1.90498470  -1.19283284
 H   -1.65029273   1.10446608   0.77743851
 H   -0.15922811   2.04903201   0.63780668
 C   -1.98401987   3.24615738  -0.94255390
 H   -0.41765163   2.05823451  -1.87189031
 H   -1.96905457   1.21366650  -1.70308403
 H   -2.40060472   3.60595176  -1.90826173
 H   -2.84653937   3.07195639  -0.27398207
 N   -1.08519226   4.19818176  -0.26901378
 H   -0.40132134   4.55134290  -0.94766104
 H   -1.62096142   5.01871197   0.03075641
 20
 Energy -2240.631945297  Dipole 4.369580 Gradient 0.00052899
 C    0.00000000   0.00000000   0.00000000
 C    1.35340295   0.00000000   0.00000000
 S    2.52089962  -1.30547311   0.28916705
 S    2.54614524  -2.60570634  -1.34993150
 S    0.93378164  -3.91258642  -0.98144509
 S   -0.68325779  -2.69402899  -1.54936774
 S   -1.07190616  -1.44398435   0.07669375
 H    1.84284822   0.98313246   0.00000000
 C   -0.77671201   1.29228340   0.11699682
 C   -1.28574016   1.88752993  -1.20619967
 H   -1.64789541   1.10936717   0.77546328
 H   -0.15913156   2.05548411   0.61740496
 C   -1.99653165   3.22913208  -0.96976587
 H   -0.42965147   2.03558484  -1.89037233
 H   -1.97733846   1.18761238  -1.70539827
 H   -2.41867500   3.57502127  -1.93814531
 H   -2.85547239   3.06046174  -0.29516255
 N   -1.09814715   4.19294387  -0.31255539
 H   -0.41810905   4.53902578  -0.99868982
 H   -1.63561545   5.01576668  -0.02218853
 20
 Energy -2240.632233834  Dipole 4.356469 Gradient 0.00049594
 C    0.00000000   0.00000000   0.00000000
 C    1.35325974   0.00000000   0.00000000
 S    2.51617271  -1.31219947   0.27830699
 S    2.54042695  -2.58562123  -1.38181653
 S    0.93038913  -3.90081599  -1.03309643
 S   -0.69220677  -2.67524385  -1.57005698
 S   -1.06694514  -1.44844990   0.07693871
 H    1.84452876   0.98209538   0.00000000
 C   -0.77812094   1.29142300   0.11103612
 C   -1.29545306   1.87123867  -1.21597119
 H   -1.64543067   1.11256815   0.77566939
 H   -0.15926205   2.06073278   0.60041619
 C   -2.00999622   3.21273575  -0.99165695
 H   -0.44305409   2.01431840  -1.90578914
 H   -1.98689181   1.16332238  -1.70394446
 H   -2.43864333   3.54523770  -1.96190201
 H   -2.86468884   3.04899283  -0.31048203
 N   -1.11169790   4.18764403  -0.35106193
 H   -0.43595806   4.52685950  -1.04484224
 H   -1.65044025   5.01253977  -0.06904082
 20
 Energy -2240.6325004  Dipole 4.340666 Gradient 0.00047071
 C    0.00000000   0.00000000   0.00000000
 C    1.35312978   0.00000000   0.00000000
 S    2.51177337  -1.31791390   0.27078074
 S    2.53481319  -2.56895476  -1.40630084
 S    0.92680017  -3.89111437  -1.07367608
 S   -0.70118686  -2.66039359  -1.58340761
 S   -1.06192632  -1.45264117   0.08066694
 H    1.84557550   0.98149229   0.00000000
 C   -0.77959844   1.29080639   0.10178761
 C   -1.30602458   1.85114378  -1.23017065
 H   -1.64260660   1.11815116   0.77352490
 H   -0.15920090   2.06762630   0.57716216
 C   -2.02410165   3.19310396  -1.02145085
 H   -0.45776442   1.98729613  -1.92645779
 H   -1.99743142   1.13396267  -1.70448539
 H   -2.45986975   3.50938353  -1.99396403
 H   -2.87404182   3.03655970  -0.33266777
 N   -1.12545976   4.18071730  -0.40118453
 H   -0.45424130   4.51043846  -1.10388891
 H   -1.66518736   5.00863889  -0.13004944
 20
 Energy -2240.632755024  Dipole 4.323939 Gradient 0.00043990
 C    0.00000000   0.00000000   0.00000000
 C    1.35299046   0.00000000   0.00000000
 S    2.50764997  -1.32364555   0.26137868
 S    2.52828392  -2.55126911  -1.43291960
 S    0.92214474  -3.87993491  -1.11651070
 S   -0.71112811  -2.64429041  -1.59825598
 S   -1.05744197  -1.45657853   0.08322744
 H    1.84684509   0.98071282   0.00000000
 C   -0.78086945   1.29015079   0.09367483
 C   -1.31740098   1.83164045  -1.24219387
 H   -1.63894919   1.12371603   0.77323222
 H   -0.15864111   2.07398264   0.55494997
 C   -2.03889260   3.17372414  -1.04785368
 H   -0.47385552   1.96108713  -1.94546462
 H   -2.00911506   1.10567121  -1.70248875
 H   -2.48286525   3.47391653  -2.02176600
 H   -2.88330863   3.02427283  -0.35071337
 N   -1.13942256   4.17351868  -0.44877548
 H   -0.47355547   4.49402640  -1.16078230
 H   -1.67994705   5.00410006  -0.18751778
 20
 Energy -2240.632995109  Dipole 4.305631 Gradient 0.00041272
 C    0.00000000   0.00000000   0.00000000
 C    1.35286152   0.00000000   0.00000000
 S    2.50385399  -1.32910880   0.25179953
 S    2.52169585  -2.53284435  -1.45960277
 S    0.91739343  -3.86763443  -1.15980399
 S   -0.72090006  -2.62748949  -1.61358965
 S   -1.05298056  -1.46036964   0.08507481
 H    1.84799201   0.98001552   0.00000000
 C   -0.78197277   1.28954487   0.08607107
 C   -1.32923662   1.81221886  -1.25305798
 H   -1.63475597   1.12963387   0.77377320
 H   -0.15755109   2.07998100   0.53292958
 C   -2.05425630   3.15413827  -1.07257565
 H   -0.49076894   1.93511134  -1.96354169
 H   -2.02119287   1.07756209  -1.69897623
 H   -2.50697082   3.43835381  -2.04732054
 H   -2.89266662   3.01192557  -0.36676673
 N   -1.15382535   4.16583849  -0.49540188
 H   -0.49400342   4.47714962  -1.21706740
 H   -1.69517264   4.99880779  -0.24356436
 20
 Energy -2240.633213498  Dipole 4.287292 Gradient 0.00038468
 C    0.00000000   0.00000000   0.00000000
 C    1.35276014   0.00000000   0.00000000
 S    2.49993104  -1.33450357   0.24265557
 S    2.51499780  -2.51514073  -1.48483692
 S    0.91212660  -3.85543930  -1.20118863
 S   -0.73078576  -2.61110622  -1.62772619
 S   -1.04864715  -1.46410052   0.08718849
 H    1.84918817   0.97930351   0.00000000
 C   -0.78330920   1.28877932   0.07810482
 C   -1.34162577   1.79195280  -1.26412400
 H   -1.63053080   1.13543564   0.77405647
 H   -0.15685019   2.08605153   0.50976909
 C   -2.06979858   3.13382423  -1.09788371
 H   -0.50846805   1.90710610  -1.98209199
 H   -2.03421764   1.04885682  -1.69482349
 H   -2.53137649   3.40160132  -2.07311701
 H   -2.90191543   2.99947609  -0.38308341
 N   -1.16803013   4.15708351  -0.54373064
 H   -0.51430996   4.45809181  -1.27527083
 H   -1.70980256   4.99274754  -0.30189005
 20
 Energy -2240.633431713  Dipole 4.266100 Gradient 0.00035601
 C    0.00000000   0.00000000   0.00000000
 C    1.35259002   0.00000000   0.00000000
 S    2.49654641  -1.33904355   0.23398025
 S    2.50759298  -2.49818786  -1.50868097
 S    0.90613095  -3.84338821  -1.23918428
 S   -0.74117456  -2.59556863  -1.63968159
 S   -1.04451348  -1.46748921   0.09028068
 H    1.84992580   0.97877524   0.00000000
 C   -0.78458597   1.28805073   0.06952964
 C   -1.35455082   1.77069028  -1.27543551
 H   -1.62596222   1.14175226   0.77402277
 H   -0.15630243   2.09208567   0.48586123
 C   -2.08516139   3.11282703  -1.12432944
 H   -0.52737364   1.87711904  -2.00160233
 H   -2.04835844   1.01924434  -1.68941257
 H   -2.55628130   3.36332334  -2.09961955
 H   -2.91044637   2.98780048  -0.39998824
 N   -1.18139117   4.14742186  -0.59517117
 H   -0.53398888   4.43670206  -1.33700954
 H   -1.72307383   4.98621038  -0.36412053
 20
 Energy -2240.633606173  Dipole 4.251806 Gradient 0.00032148
 C    0.00000000   0.00000000   0.00000000
 C    1.35244171   0.00000000   0.00000000
 S    2.49303476  -1.34436296   0.22306059
 S    2.50001226  -2.47893849  -1.53538141
 S    0.89979290  -3.82887539  -1.28243136
 S   -0.75172885  -2.57741887  -1.65525540
 S   -1.04052277  -1.47102496   0.09105060
 H    1.85128252   0.97794463   0.00000000
 C   -0.78586525   1.28711898   0.06297464
 C   -1.36819090   1.75121738  -1.28336466
 H   -1.62079987   1.14743495   0.77637347
 H   -0.15519998   2.09746632   0.46313297
 C   -2.10071875   3.09344714  -1.14445097
 H   -0.54724585   1.84988371  -2.01766130
 H   -2.06344041   0.99267563  -1.68161698
 H   -2.58303904   3.32815675  -2.11822153
 H   -2.91790908   2.97740807  -0.40949189
 N   -1.19389292   4.13795544  -0.64070663
 H   -0.55696883   4.41942115  -1.39448743
 H   -1.73530279   4.97797259  -0.41358677
 20
 Energy -2240.633765106  Dipole 4.230565 Gradient 0.00029627
 C    0.00000000   0.00000000   0.00000000
 C    1.35228478   0.00000000   0.00000000
 S    2.49005150  -1.34968892   0.20963229
 S    2.49041966  -2.46149559  -1.56300647
 S    0.89154448  -3.81575350  -1.32296808
 S   -0.76393288  -2.56105751  -1.66785141
 S   -1.03642413  -1.47446447   0.09344931
 H    1.85263868   0.97710362   0.00000000
 C   -0.78717050   1.28626298   0.05610142
 C   -1.38341550   1.73049741  -1.29101829
 H   -1.61499069   1.15392778   0.77913170
 H   -0.15398074   2.10284685   0.43920948
 C   -2.11724541   3.07313833  -1.16512380
 H   -0.56983337   1.81997022  -2.03466065
 H   -2.08081521   0.96473284  -1.67129407
 H   -2.61126142   3.29106237  -2.13693756
 H   -2.92563051   2.96742390  -0.41897520
 N   -1.20684996   4.12729298  -0.68889696
 H   -0.57793091   4.39633727  -1.45387509
 H   -1.74708812   4.97051856  -0.47103192
 20
 Energy -2240.633923667  Dipole 4.205222 Gradient 0.00027355
 C    0.00000000   0.00000000   0.00000000
 C    1.35216640   0.00000000   0.00000000
 S    2.48663146  -1.35372764   0.20273123
 S    2.48411242  -2.44412489  -1.58356269
 S    0.88595880  -3.80184745  -1.35943014
 S   -0.77308245  -2.54481130  -1.68011878
 S   -1.03254756  -1.47771600   0.09497881
 H    1.85347029   0.97658515   0.00000000
 C   -0.78864230   1.28533189   0.04774359
 C   -1.39574427   1.70934388  -1.30114136
 H   -1.61082192   1.16044184   0.77846382
 H   -0.15392563   2.10792739   0.41527808
 C   -2.13137611   3.05213941  -1.19090614
 H   -0.58784978   1.78910045  -2.05205215
 H   -2.09421761   0.93654153  -1.66474061
 H   -2.63400809   3.25276234  -2.16208362
 H   -2.93311820   2.95748354  -0.43624424
 N   -1.21881441   4.11570653  -0.74042542
 H   -0.59408135   4.36924192  -1.51411641
 H   -1.75819920   4.96315414  -0.53714270
 20
 Energy -2240.634054767  Dipole 4.187715 Gradient 0.00023595
 C    0.00000000   0.00000000   0.00000000
 C    1.35203170   0.00000000   0.00000000
 S    2.48254803  -1.35860276   0.19491365
 S    2.47891214  -2.42420095  -1.60627323
 S    0.88044372  -3.78475517  -1.40227958
 S   -0.78173129  -2.52474981  -1.69619262
 S   -1.02850438  -1.48115500   0.09459340
 H    1.85448401   0.97593151   0.00000000
 C   -0.78988310   1.28430935   0.04142753
 C   -1.40815161   1.69064774  -1.30795706
 H   -1.60614503   1.16621245   0.77985665
 H   -0.15346068   2.11209164   0.39414297
 C   -2.14489484   3.03357985  -1.20989965
 H   -0.60630205   1.76160652  -2.06621042
 H   -2.10817322   0.91206539  -1.65592877
 H   -2.65723650   3.21926809  -2.17899495
 H   -2.93932039   2.94866581  -0.44627923
 N   -1.22967795   4.10476264  -0.78385694
 H   -0.61256562   4.34743781  -1.56710070
 H   -1.76822361   4.95453588  -0.58821107
 20
 Energy -2240.63417255  Dipole 4.167797 Gradient 0.00020494
 C    0.00000000   0.00000000   0.00000000
 C    1.35187595   0.00000000   0.00000000
 S    2.47921173  -1.36321505   0.18464652
 S    2.47111142  -2.40600062  -1.62994336
 S    0.87307742  -3.76963725  -1.44150992
 S   -0.79221457  -2.50707901  -1.70861938
 S   -1.02420777  -1.48467563   0.09623733
 H    1.85571681   0.97513443   0.00000000
 C   -0.79142890   1.28318221   0.03447863
 C   -1.42309871   1.67026921  -1.31451380
 H   -1.60051945   1.17250758   0.78185747
 H   -0.15306598   2.11647909   0.37037316
 C   -2.15939051   3.01415854  -1.22944990
 H   -0.62889265   1.73001835  -2.08169704
 H   -2.12635545   0.88659589  -1.64395617
 H   -2.68314376   3.18381169  -2.19537935
 H   -2.94485900   2.94131688  -0.45532337
 N   -1.23980862   4.09237540  -0.83165980
 H   -0.63093885   4.32114028  -1.62548815
 H   -1.77627251   4.94558230  -0.64536978
 20
 Energy -2240.634264557  Dipole 4.146764 Gradient 0.00017636
 C    0.00000000   0.00000000   0.00000000
 C    1.35175159   0.00000000   0.00000000
 S    2.47583911  -1.36772454   0.17469641
 S    2.46311905  -2.38764250  -1.65277385
 S    0.86550444  -3.75388857  -1.47954806
 S   -0.80292874  -2.48964062  -1.72069796
 S   -1.02031214  -1.48786382   0.09744207
 H    1.85674857   0.97450120   0.00000000
 C   -0.79283789   1.28212424   0.02770343
 C   -1.43642445   1.65063384  -1.32102889
 H   -1.59556425   1.17898101   0.78297922
 H   -0.15271908   2.12040618   0.34761808
 C   -2.17145819   2.99581458  -1.24949120
 H   -0.64911254   1.69899703  -2.09610648
 H   -2.14245634   0.86229411  -1.63288536
 H   -2.70670494   3.14948765  -2.21180829
 H   -2.94762517   2.93645906  -0.46488945
 N   -1.24656558   4.07985800  -0.88111658
 H   -0.64624485   4.29348421  -1.68560028
 H   -1.78007061   4.93695828  -0.70441635
 20
 Energy -2240.63432729  Dipole 4.126510 Gradient 0.00014586
 C    0.00000000   0.00000000   0.00000000
 C    1.35161618   0.00000000   0.00000000
 S    2.47279573  -1.37171269   0.16573212
 S    2.45626389  -2.36964059  -1.67392678
 S    0.85842127  -3.73801591  -1.51639385
 S   -0.81289610  -2.47218369  -1.73238967
 S   -1.01655443  -1.49091885   0.09842772
 H    1.85767290   0.97390507   0.00000000
 C   -0.79396678   1.28123121   0.02021688
 C   -1.44763092   1.63153445  -1.32865330
 H   -1.59096643   1.18591307   0.78250050
 H   -0.15222332   2.12407991   0.32469983
 C   -2.17982270   2.97879937  -1.27215335
 H   -0.66645127   1.66686601  -2.11058803
 H   -2.15728993   0.83984970  -1.62320211
 H   -2.72491676   3.11684394  -2.23132579
 H   -2.94778477   2.93434665  -0.47852553
 N   -1.24912559   4.06716347  -0.93238010
 H   -0.65609754   4.26454081  -1.74638258
 H   -1.77902744   4.92864250  -0.76641577
 20
 Energy -2240.634390285  Dipole 4.106506 Gradient 0.00011352
 C    0.00000000   0.00000000   0.00000000
 C    1.35149741   0.00000000   0.00000000
 S    2.46982913  -1.37546111   0.15664590
 S    2.44952864  -2.35182432  -1.69473268
 S    0.85113610  -3.72117127  -1.55354487
 S   -0.82221666  -2.45389126  -1.74493003
 S   -1.01299515  -1.49384087   0.09850366
 H    1.85854557   0.97335229   0.00000000
 C   -0.79489205   1.28045112   0.01330889
 C   -1.45788521   1.61377191  -1.33548917
 H   -1.58649629   1.19292844   0.78208007
 H   -0.15147446   2.12731249   0.30302532
 C   -2.18458034   2.96440193  -1.29406759
 H   -0.68270091   1.63463940  -2.12389763
 H   -2.17253703   0.82038466  -1.61276462
 H   -2.73947754   3.08796207  -2.24957581
 H   -2.94405989   2.93684342  -0.49152926
 N   -1.24592763   4.05457645  -0.98347173
 H   -0.65990800   4.23384388  -1.80669206
 H   -1.77034719   4.92148071  -0.82867826
 20
 Energy -2240.634431974  Dipole 4.087722 Gradient 0.00008366
 C    0.00000000   0.00000000   0.00000000
 C    1.35138655   0.00000000   0.00000000
 S    2.46709076  -1.37906558   0.14713338
 S    2.44223044  -2.33423991  -1.71522811
 S    0.84387912  -3.70531850  -1.58735037
 S   -0.83192987  -2.43758144  -1.75514415
 S   -1.00975051  -1.49652645   0.09939420
 H    1.85935907   0.97282682   0.00000000
 C   -0.79583298   1.27962620   0.00571018
 C   -1.46668714   1.59632225  -1.34339800
 H   -1.58291809   1.19986636   0.77986978
 H   -0.15114970   2.13027668   0.28130129
 C   -2.18572186   2.95129397  -1.31818724
 H   -0.69704471   1.60102435  -2.13744415
 H   -2.18724335   0.80252212  -1.60350177
 H   -2.75019544   3.06087939  -2.26979407
 H   -2.93663656   2.94256455  -0.50719399
 N   -1.23744064   4.04123305  -1.03759433
 H   -0.65853275   4.20093399  -1.86983672
 H   -1.75493199   4.91427724  -0.89433219
 20
 Energy -2240.634459818  Dipole 4.070585 Gradient 0.00005507
 C    0.00000000   0.00000000   0.00000000
 C    1.35128742   0.00000000   0.00000000
 S    2.46511058  -1.38192164   0.13770237
 S    2.43407258  -2.31757610  -1.73454795
 S    0.83654389  -3.69067220  -1.61691612
 S   -0.84218575  -2.42364593  -1.76310355
 S   -1.00721451  -1.49857808   0.10068070
 H    1.85997431   0.97241416   0.00000000
 C   -0.79615786   1.27917236  -0.00141724
 C   -1.47402160   1.58074017  -1.35070215
 H   -1.57881033   1.20767466   0.77793928
 H   -0.14938808   2.13273129   0.26029954
 C   -2.17956075   2.94285755  -1.34317291
 H   -0.71026805   1.56525074  -2.15029885
 H   -2.20371887   0.78966889  -1.59279108
 H   -2.75288334   3.04034370  -2.29077505
 H   -2.92187432   2.95726076  -0.52436007
 N   -1.21722724   4.02791866  -1.09333382
 H   -0.64494724   4.16491691  -1.93416093
 H   -1.72401172   4.90912358  -0.96231525
 20
 Energy -2240.634465038  Dipole 4.061111 Gradient 0.00002486
 C    0.00000000   0.00000000   0.00000000
 C    1.35122262   0.00000000   0.00000000
 S    2.46380972  -1.38347575   0.13355364
 S    2.43320047  -2.30493746  -1.74568458
 S    0.83562083  -3.67910995  -1.63907309
 S   -0.84468159  -2.41249957  -1.77179816
 S   -1.00510977  -1.50048785   0.09905566
 H    1.86021692   0.97221408   0.00000000
 C   -0.79612203   1.27902441  -0.00690642
 C   -1.47753663   1.57075185  -1.35667842
 H   -1.57643650   1.21304261   0.77522426
 H   -0.14813436   2.13432273   0.24609370
 C   -2.17328474   2.93785739  -1.36116924
 H   -0.71736502   1.54153006  -2.15932585
 H   -2.21358682   0.78222954  -1.58748107
 H   -2.75304803   3.02747303  -2.30564628
 H   -2.90925028   2.96812375  -0.53708588
 N   -1.20098726   4.01861348  -1.13241140
 H   -0.63367354   4.14020792  -1.97894368
 H   -1.70005669   4.90534547  -1.00925931
