 13
 Energy -265.58239463
 N  -1.34623621   0.52768400   0.02502276
 C  -2.25924976   1.21830571   0.22266019
 C  -3.39817655   2.08136360   0.46968138
 N  -0.02814516  -2.23394519  -0.46644015
 C   0.56241609  -1.24482596  -0.42436454
 C   1.48896211  -0.15521347  -0.41286923
 H  -3.48741898   2.28900365   1.54707505
 H  -3.27313105   3.03386135  -0.06785916
 H  -4.32293242   1.59567088   0.12226466
 H  -0.69270725  -3.00121589  -0.47291838
 H   2.50316435  -0.55345235  -0.58752096
 H   1.42983386   0.35289347   0.56290306
 H   1.20742269   0.56052325  -1.20170644
 13
 Energy -265.58238471
 N  -1.33803477   0.53706062   0.02515013
 C  -2.25774703   1.21878394   0.22261087
 C  -3.40535088   2.07029547   0.46945558
 N  -0.03454490  -2.22885419  -0.46679704
 C   0.56163160  -1.24310697  -0.42433860
 C   1.49472371  -0.15910489  -0.41237362
 H  -3.48053341   2.29991101   1.54345385
 H  -3.30305532   3.01266604  -0.09030582
 H  -4.32815144   1.56380478   0.14751096
 H  -0.70327791  -2.99245841  -0.47370916
 H   2.50656483  -0.56347112  -0.58660425
 H   1.43807201   0.34938033   0.56334950
 H   1.21782992   0.55840815  -1.20123931
 13
 Energy -265.58237722
 N  -1.32780655   0.54862975   0.02538530
 C  -2.25521095   1.21993202   0.22251230
 C  -3.41274468   2.05802073   0.46886017
 N  -0.04324832  -2.22319257  -0.46562838
 C   0.55993878  -1.24165237  -0.42403175
 C   1.50107832  -0.16462442  -0.41330546
 H  -3.48659498   2.29332930   1.54172483
 H  -3.32492843   2.99814480  -0.09705242
 H  -4.33021024   1.53761526   0.15388543
 H  -0.71722379  -2.98215372  -0.47172701
 H   2.50971539  -0.57662123  -0.58819834
 H   1.44901687   0.34476055   0.56221509
 H   1.22882038   0.55464576  -1.20218817
 13
 Energy -265.58236197
 N  -1.31713920   0.56060345   0.02550514
 C  -2.25219292   1.22130695   0.22231855
 C  -3.41964866   2.04558100   0.46831138
 N  -0.05260213  -2.21745944  -0.46411871
 C   0.55784068  -1.24034051  -0.42368767
 C   1.50710506  -0.17046450  -0.41446582
 H  -3.49669031   2.27984220   1.54117810
 H  -3.34278827   2.98678867  -0.09738966
 H  -4.33073026   1.51438195   0.15286101
 H  -0.73186106  -2.97167447  -0.46929774
 H   2.51243560  -0.59034259  -0.58973800
 H   1.45961500   0.34006963   0.56068781
 H   1.23985536   0.55029162  -1.20372616
 13
 Energy -265.58234568
 N  -1.30633654   0.57241489   0.02577232
 C  -2.24890074   1.22249032   0.22204359
 C  -3.42583003   2.03332070   0.46746850
 N  -0.06237432  -2.21156786  -0.46242115
 C   0.55519199  -1.23883892  -0.42319683
 C   1.51291942  -0.17652014  -0.41571341
 H  -3.50763268   2.26420334   1.54071258
 H  -3.35828645   2.97671136  -0.09582456
 H  -4.33039778   1.49286891   0.14891715
 H  -0.74721605  -2.96070273  -0.46638893
 H   2.51469090  -0.60456071  -0.59170555
 H   1.47050668   0.33518090   0.55906874
 H   1.25056165   0.54578974  -1.20519046
 13
 Energy -265.58232725
 N  -1.29543602   0.58357027   0.02597003
 C  -2.24532327   1.22304284   0.22174398
 C  -3.43105740   2.02110584   0.46647566
 N  -0.07291811  -2.20498045  -0.46061162
 C   0.55186406  -1.23676607  -0.42256627
 C   1.51870837  -0.18268875  -0.41691719
 H  -3.51762469   2.24853019   1.54008740
 H  -3.37172769   2.96648494  -0.09441079
 H  -4.32924260   1.47219598   0.14443359
 H  -0.76375118  -2.94854495  -0.46339635
 H   2.51655212  -0.61957886  -0.59333532
 H   1.48147797   0.33036122   0.55736640
 H   1.26192864   0.54116174  -1.20681898
 13
 Energy -265.58230263
 N  -1.28474716   0.59355567   0.02592097
 C  -2.24099827   1.22355990   0.22131261
 C  -3.43565071   2.00830563   0.46549159
 N  -0.08365856  -2.19778815  -0.45863056
 C   0.54789391  -1.23383934  -0.42177929
 C   1.52420412  -0.18841357  -0.41811885
 H  -3.52518097   2.23477261   1.53906428
 H  -3.38669873   2.95430140  -0.09536234
 H  -4.32750481   1.44935588   0.14301343
 H  -0.78076872  -2.93545189  -0.46001966
 H   2.51788076  -0.63448392  -0.59507766
 H   1.49251675   0.32599559   0.55564292
 H   1.27311420   0.53702032  -1.20838606
 13
 Energy -265.58227045
 N  -1.27365387   0.60304208   0.02574805
 C  -2.23648857   1.22300896   0.22075693
 C  -3.43957227   1.99480768   0.46434465
 N  -0.09427397  -2.19021331  -0.45657387
 C   0.54343779  -1.23018911  -0.42081901
 C   1.52872249  -0.19308627  -0.41913603
 H  -3.53193838   2.22061888   1.53781397
 H  -3.40069205   2.94109522  -0.09675727
 H  -4.32515421   1.42609892   0.14167650
 H  -0.79725457  -2.92221173  -0.45666773
 H   2.51823876  -0.64801668  -0.59670723
 H   1.50255510   0.32253525   0.55413554
 H   1.28321978   0.53378674  -1.20984287
 13
 Energy -265.58223306
 N  -1.26231974   0.61128388   0.02533574
 C  -2.23134478   1.22158774   0.21997942
 C  -3.44226826   1.98098331   0.46306747
 N  -0.10504749  -2.18218192  -0.45443160
 C   0.53778835  -1.22538245  -0.41958257
 C   1.53236315  -0.19699142  -0.41994582
 H  -3.53687937   2.20665398   1.53636610
 H  -3.41316805   2.92724168  -0.09872369
 H  -4.32195133   1.40289873   0.14085175
 H  -0.81415335  -2.90821637  -0.45312602
 H   2.51746159  -0.66117629  -0.59821277
 H   1.51205941   0.31980778   0.55281521
 H   1.29258852   0.53138416  -1.21097099
 13
 Energy -265.58219001
 N  -1.25090042   0.61800863   0.02476032
 C  -2.22560684   1.21923989   0.21898527
 C  -3.44356271   1.96719215   0.46160774
 N  -0.11594936  -2.17375696  -0.45219662
 C   0.53098099  -1.21948133  -0.41806137
 C   1.53504577  -0.20009054  -0.42056735
 H  -3.54019711   2.19252698   1.53481012
 H  -3.42337250   2.91337232  -0.10069584
 H  -4.31770045   1.38060652   0.13969433
 H  -0.83152308  -2.89332004  -0.44943056
 H   2.51542965  -0.67390056  -0.59940839
 H   1.52085933   0.31794070   0.55162503
 H   1.30147659   0.52967342  -1.21214821
 13
 Energy -265.58213991
 N  -1.23952088   0.62287616   0.02398953
 C  -2.21922093   1.21595377   0.21782413
 C  -3.44333042   1.95358670   0.45994631
 N  -0.12692987  -2.16497349  -0.44990301
 C   0.52309041  -1.21250130  -0.41627411
 C   1.53662393  -0.20217794  -0.42093648
 H  -3.54193190   2.17855062   1.53306069
 H  -3.43098067   2.89966446  -0.10280282
 H  -4.31244212   1.35956705   0.13806092
 H  -0.84899297  -2.87799665  -0.44555189
 H   2.51220299  -0.68562564  -0.60035749
 H   1.52864799   0.31702939   0.55063988
 H   1.30928418   0.52890778  -1.21303894
 13
 Energy -265.58207591
 N  -1.22824997   0.62584055   0.02301418
 C  -2.21231988   1.21161826   0.21644967
 C  -3.44155582   1.94039223   0.45812562
 N  -0.13762355  -2.15609748  -0.44761484
 C   0.51400647  -1.20438083  -0.41418963
 C   1.53696033  -0.20314249  -0.42102478
 H  -3.54170457   2.16506362   1.53114853
 H  -3.43582152   2.88631586  -0.10501091
 H  -4.30630033   1.33994763   0.13638574
 H  -0.86598597  -2.86253246  -0.44177268
 H   2.50758735  -0.69614300  -0.60101251
 H   1.53506942   0.31721450   0.54991252
 H   1.31577950   0.52923645  -1.21360599
 13
 Energy -265.58199431
 N  -1.21747921   0.62674010   0.02183600
 C  -2.20521813   1.20625713   0.21495548
 C  -3.43841864   1.92789746   0.45621035
 N  -0.14790059  -2.14710236  -0.44534957
 C   0.50401278  -1.19512759  -0.41185230
 C   1.53653458  -0.20320993  -0.42092338
 H  -3.53980668   2.15239228   1.52918504
 H  -3.43787927   2.87361397  -0.10730852
 H  -4.29976202   1.32247225   0.13465915
 H  -0.88324487  -2.84624011  -0.43783214
 H   2.50202595  -0.70598821  -0.60149235
 H   1.54095212   0.31824668   0.54935035
 H   1.32162750   0.53035957  -1.21406307
 13
 Energy -265.58192219
 N  -1.20724244   0.62581443   0.02050689
 C  -2.19786469   1.20027251   0.21332468
 C  -3.43413122   1.91614024   0.45426242
 N  -0.15756021  -2.13831240  -0.44317695
 C   0.49316231  -1.18499619  -0.40930541
 C   1.53520432  -0.20238104  -0.42061205
 H  -3.53669233   2.13998449   1.52726962
 H  -3.43734593   2.86193002  -0.10916753
 H  -4.29259092   1.30684503   0.13231188
 H  -0.90008350  -2.82964620  -0.43386367
 H   2.49524877  -0.71523940  -0.60174696
 H   1.54653455   0.32010786   0.54895640
 H   1.32725130   0.53235241  -1.21440196
 13
 Energy -265.58182149
 N  -1.19730583   0.62354766   0.01909433
 C  -2.19028699   1.19380140   0.21159878
 C  -3.42882031   1.90514526   0.45224096
 N  -0.16644457  -2.13002355  -0.44115237
 C   0.48149777  -1.17418553  -0.40657116
 C   1.53284962  -0.20080126  -0.42008497
 H  -3.53238018   2.12814759   1.52534260
 H  -3.43492790   2.85114522  -0.11083450
 H  -4.28504384   1.29305390   0.12961305
 H  -0.91625471  -2.81340563  -0.42999999
 H   2.48751849  -0.72339783  -0.60173451
 H   1.55076694   0.32261776   0.54878660
 H   1.33148507   0.53493520  -1.21453177
 13
 Energy -265.58170442
 N  -1.18781565   0.62011501   0.01758216
 C  -2.18263690   1.18696950   0.20987223
 C  -3.42277249   1.89490168   0.45019549
 N  -0.17464582  -2.12214427  -0.43925102
 C   0.46925791  -1.16285503  -0.40370821
 C   1.52986052  -0.19867785  -0.41941876
 H  -3.52676717   2.11779387   1.52328471
 H  -3.43101872   2.84067589  -0.11325292
 H  -4.27730372   1.28040388   0.12758366
 H  -0.93194258  -2.79707570  -0.42615549
 H   2.47896742  -0.73102009  -0.60157534
 H   1.55439255   0.32561049   0.54875334
 H   1.33515742   0.53804646  -1.21451235
 13
 Energy -265.58157025
 N  -1.17869845   0.61582713   0.01599652
 C  -2.17494356   1.17998648   0.20807448
 C  -3.41616341   1.88524204   0.44818868
 N  -0.18199292  -2.11485384  -0.43751419
 C   0.45646401  -1.15106530  -0.40070817
 C   1.52621741  -0.19609034  -0.41862926
 H  -3.52031401   2.10834571   1.52121152
 H  -3.42619969   2.83077272  -0.11567692
 H  -4.26947402   1.26884344   0.12589725
 H  -0.94729741  -2.78064453  -0.42233328
 H   2.46970021  -0.73812043  -0.60132611
 H   1.55759218   0.32896260   0.54883096
 H   1.33829982   0.54153046  -1.21439976
 13
 Energy -265.58141366
 N  -1.16982325   0.61097579   0.01437717
 C  -2.16720884   1.17289974   0.20625059
 C  -3.40914240   1.87609369   0.44618546
 N  -0.18867964  -2.10806337  -0.43591288
 C   0.44324726  -1.13900395  -0.39761894
 C   1.52205082  -0.19318819  -0.41773995
 H  -3.51323303   2.09932148   1.51924071
 H  -3.42058754   2.82132937  -0.11817642
 H  -4.26143417   1.25809343   0.12421686
 H  -0.96219826  -2.76419530  -0.41856330
 H   2.45992017  -0.74457712  -0.60092556
 H   1.56002454   0.33262766   0.54898507
 H   1.34069440   0.54528821  -1.21412610
 13
 Energy -265.58123778
 N  -1.16106266   0.60575672   0.01272496
 C  -2.15941737   1.16572387   0.20442171
 C  -3.40176656   1.86731795   0.44417262
 N  -0.19499747  -2.10165743  -0.43440184
 C   0.42990782  -1.12697448  -0.39451722
 C   1.51736154  -0.18995036  -0.41674319
 H  -3.50573984   2.09069384   1.51722010
 H  -3.41406405   2.81233387  -0.12058183
 H  -4.25330543   1.24813223   0.12244614
 H  -0.97723601  -2.74733497  -0.41470913
 H   2.44988681  -0.75008006  -0.60034113
 H   1.56154435   0.33654328   0.54924497
 H   1.34222997   0.54925681  -1.21372354
 13
 Energy -265.58103682
 N  -1.15232296   0.60035037   0.01104541
 C  -2.15154836   1.15849507   0.20258516
 C  -3.39407792   1.85882848   0.44215514
 N  -0.20088803  -2.09567391  -0.43299098
 C   0.41630706  -1.11492590  -0.39137901
 C   1.51205437  -0.18636242  -0.41562816
 H  -3.49779063   2.08245251   1.51519260
 H  -3.40690253   2.80366199  -0.12297545
 H  -4.24507582   1.23876379   0.12062746
 H  -0.99073423  -2.73197498  -0.41123068
 H   2.43941344  -0.75472108  -0.59959542
 H   1.56199869   0.34078629   0.54963357
 H   1.34271124   0.55353053  -1.21311653
 13
 Energy -265.58082319
 N  -1.14349237   0.59486224   0.00933485
 C  -2.14356061   1.15120504   0.20072634
 C  -3.38604608   1.85057288   0.44012984
 N  -0.20658802  -2.08996140  -0.43163286
 C   0.40257951  -1.10308795  -0.38824864
 C   1.50603296  -0.18233559  -0.41437335
 H  -3.48945022   2.07448272   1.51317231
 H  -3.39917447   2.79509226  -0.12552950
 H  -4.23664505   1.22975674   0.11892428
 H  -1.00194634  -2.71929006  -0.40835916
 H   2.42867771  -0.75797779  -0.59864931
 H   1.56116227   0.34537655   0.55020927
 H   1.34190364   0.55814103  -1.21230157
 13
 Energy -265.58058083
 N  -1.13448778   0.58943224   0.00760341
 C  -2.13553621   1.14367281   0.19882254
 C  -3.37762235   1.84255205   0.43808796
 N  -0.21254311  -2.08428444  -0.43024348
 C   0.38897708  -1.09171403  -0.38518788
 C   1.49938246  -0.17779082  -0.41297928
 H  -3.48051078   2.06686332   1.51112736
 H  -3.39067999   2.78681181  -0.12806866
 H  -4.22818652   1.22141700   0.11734307
 H  -1.00949100  -2.71149007  -0.40653374
 H   2.41796333  -0.75955544  -0.59750362
 H   1.55878788   0.35049587   0.55095994
 H   1.33957672   0.56325404  -1.21116786
 13
 Energy -265.58031050
 N  -1.12558816   0.58408365   0.00588740
 C  -2.12777808   1.13582643   0.19691634
 C  -3.36892844   1.83495420   0.43606896
 N  -0.21962215  -2.07767725  -0.42859749
 C   0.37603953  -1.08116375  -0.38230746
 C   1.49259928  -0.17294228  -0.41153458
 H  -3.47099662   2.05987145   1.50908268
 H  -3.38103426   2.77894262  -0.13064577
 H  -4.22005489   1.21430357   0.11585895
 H  -1.00646963  -2.71721010  -0.40764778
 H   2.40775833  -0.75966023  -0.59624237
 H   1.55551209   0.35593961   0.55177263
 H   1.33636868   0.56866291  -1.20981077
 13
 Energy -265.57996812
 N  -1.11762703   0.57881353   0.00428961
 C  -2.12083873   1.12816297   0.19512908
 C  -3.36054723   1.82829154   0.43420143
 N  -0.22821787  -2.06965488  -0.42658376
 C   0.36475692  -1.07199326  -0.37979824
 C   1.48663942  -0.16829047  -0.41021909
 H  -3.46161038   2.05383817   1.50718917
 H  -3.37094225   2.77208027  -0.13293977
 H  -4.21280474   1.20890996   0.11455294
 H  -0.98655618  -2.74209633  -0.41317850
 H   2.39882535  -0.75919154  -0.59507093
 H   1.55246973   0.36119821   0.55249318
 H   1.33340308   0.57386903  -1.20848080
 13
 Energy -265.57951397
 N  -1.11120244   0.57356783   0.00287602
 C  -2.11500121   1.12125984   0.19357342
 C  -3.35304695   1.82287005   0.43259111
 N  -0.23766916  -2.06076396  -0.42434901
 C   0.35536055  -1.06413391  -0.37768204
 C   1.48207786  -0.16436932  -0.40916913
 H  -3.45306752   2.04900970   1.50557105
 H  -3.36150401   2.76645940  -0.13495038
 H  -4.20659184   1.20500874   0.11353449
 H  -0.95025343  -2.78067430  -0.42240662
 H   2.39128965  -0.75940899  -0.59415751
 H   1.55066867   0.36571723   0.55295474
 H   1.33168091   0.57832692  -1.20739204
 13
 Energy -265.57892147
 N  -1.10606000   0.56820983   0.00160132
 C  -2.10999881   1.11509985   0.19221060
 C  -3.34637439   1.81841271   0.43120553
 N  -0.24744066  -2.05165859  -0.42204256
 C   0.34730579  -1.05702684  -0.37582339
 C   1.47864791  -0.16119801  -0.40835283
 H  -3.44538681   2.04513954   1.50416496
 H  -3.35290228   2.76180671  -0.13671710
 H  -4.20116963   1.20201611   0.11270211
 H  -0.90265724  -2.82322210  -0.43351377
 H   2.38468300  -0.76072459  -0.59349442
 H   1.55031783   0.36941453   0.55320728
 H   1.33139010   0.58197723  -1.20665616
 13
 Energy -265.57821321
 N  -1.10174041   0.56262730   0.00039885
 C  -2.10547531   1.10940798   0.19095660
 C  -3.34023157   1.81455757   0.42996452
 N  -0.25731910  -2.04266270  -0.41973287
 C   0.33986358  -1.05008161  -0.37405964
 C   1.47595241  -0.15860361  -0.40769900
 H  -3.43829420   2.04177918   1.50292089
 H  -3.34493154   2.75778379  -0.13828168
 H  -4.19615278   1.19950692   0.11192763
 H  -0.84755275  -2.86417204  -0.44535961
 H   2.37848552  -0.76316140  -0.59301928
 H   1.55128116   0.37239489   0.55332740
 H   1.33238216   0.58493718  -1.20628470
 13
 Energy -265.57742119
 N  -1.09792307   0.55671182  -0.00078427
 C  -2.10117735   1.10397274   0.18976350
 C  -3.33436929   1.81106056   0.42879802
 N  -0.26718139  -2.03394300  -0.41745647
 C   0.33252196  -1.04289472  -0.37227891
 C   1.47367734  -0.15642510  -0.40714858
 H  -3.43150869   2.03864346   1.50177628
 H  -3.33740000   2.75413251  -0.13974133
 H  -4.19136436   1.19726017   0.11121222
 H  -0.78733157  -2.90067654  -0.45730098
 H   2.37233162  -0.76663334  -0.59267484
 H   1.55345352   0.37483750   0.55334434
 H   1.33455584   0.58738468  -1.20623663
 13
 Energy -265.57658355
 N  -1.09440425   0.55041157  -0.00198005
 C  -2.09694764   1.09864516   0.18859927
 C  -3.32862954   1.80776505   0.42767018
 N  -0.27695336  -2.02554816  -0.41522895
 C   0.32497014  -1.03525262  -0.37041697
 C   1.47166073  -0.15454773  -0.40666718
 H  -3.42489590   2.03567314   1.50067490
 H  -3.33000617   2.75065597  -0.14119178
 H  -4.18660898   1.19508065   0.11048791
 H  -0.72375081  -2.93162015  -0.46898637
 H   2.36601971  -0.77095525  -0.59241337
 H   1.55650068   0.37688436   0.55327873
 H   1.33758604   0.58945378  -1.20641680
 13
 Energy -265.57573583
 N  -1.09106123   0.54369862  -0.00320593
 C  -2.09270420   1.09333296   0.18743418
 C  -3.32291526   1.80458100   0.42656559
 N  -0.28659394  -2.01750141  -0.41305879
 C   0.31705379  -1.02706456  -0.36844344
 C   1.46980362  -0.15289520  -0.40623319
 H  -3.41834709   2.03276681   1.49960826
 H  -3.32266237   2.74729762  -0.14263126
 H  -4.18174183   1.19286963   0.10968390
 H  -0.65818734  -2.95624555  -0.48015272
 H   2.35955721  -0.77592487  -0.59221201
 H   1.56023820   0.37863343   0.55313870
 H   1.34129438   0.59123626  -1.20676318
 13
 Energy -265.57490110
 N  -1.08782419   0.53656278  -0.00447143
 C  -2.08840102   1.08797848   0.18625481
 C  -3.31716008   1.80145196   0.42546211
 N  -0.29609000  -2.00977597  -0.41094470
 C   0.30873961  -1.01827995  -0.36634814
 C   1.46805583  -0.15142920  -0.40583558
 H  -3.41179094   2.02981309   1.49857919
 H  -3.31535787   2.74402154  -0.14403038
 H  -4.17680697   1.19069596   0.10884346
 H  -0.59177882  -2.97467416  -0.49067140
 H   2.35291884  -0.78137272  -0.59204724
 H   1.56447806   0.38013575   0.55293940
 H   1.34549683   0.59278147  -1.20723298
 13
 Energy -265.57410715
 N  -1.08464554   0.52899838  -0.00578394
 C  -2.08400134   1.08254176   0.18505787
 C  -3.31132713   1.79834011   0.42435068
 N  -0.30539204  -2.00235175  -0.40889039
 C   0.29998632  -1.00888713  -0.36412479
 C   1.46636316  -0.15011238  -0.40546309
 H  -3.40514726   2.02683525   1.49754214
 H  -3.30796746   2.74073697  -0.14546588
 H  -4.17175648   1.18846160   0.10797484
 H  -0.52561480  -2.98675193  -0.50038811
 H   2.34609818  -0.78723266  -0.59191033
 H   1.56909428   0.38143814   0.55267759
 H   1.35007338   0.59412979  -1.20777999
 13
 Energy -265.57336954
 N  -1.08148992   0.52104065  -0.00714881
 C  -2.07949459   1.07700887   0.18384211
 C  -3.30540748   1.79522449   0.42323025
 N  -0.31443040  -1.99521558  -0.40690294
 C   0.29075600  -0.99891315  -0.36177186
 C   1.46468606  -0.14890748  -0.40510605
 H  -3.39840514   2.02383964   1.49651546
 H  -3.30050211   2.73745841  -0.14693065
 H  -4.16653830   1.18609142   0.10705907
 H  -0.46034262  -2.99311358  -0.50929976
 H   2.33905677  -0.79332787  -0.59177506
 H   1.57401791   0.38260853   0.55235877
 H   1.35495735   0.59534677  -1.20837857
 13
 Energy -265.57270314
 N  -1.07832455   0.51267851  -0.00856768
 C  -2.07485154   1.07134685   0.18259417
 C  -3.29935496   1.79207131   0.42209224
 N  -0.32317377  -1.98835957  -0.40498535
 C   0.28102620  -0.98831943  -0.35928168
 C   1.46300477  -0.14778402  -0.40475836
 H  -3.39159551   2.02084713   1.49546529
 H  -3.29287620   2.73412397  -0.14841958
 H  -4.16120983   1.18371013   0.10613290
 H  -0.39708900  -2.99387962  -0.51728084
 H   2.33183792  -0.79960437  -0.59164045
 H   1.57914991   0.38364700   0.55199576
 H   1.36004891   0.59643249  -1.20901414
 13
 Energy -265.57212520
 N  -1.07514194   0.50394749  -0.01003078
 C  -2.07007850   1.06557697   0.18130028
 C  -3.29318053   1.78887624   0.42094445
 N  -0.33164963  -1.98169818  -0.40312370
 C   0.27088157  -0.97720020  -0.35667602
 C   1.46130132  -0.14673898  -0.40441721
 H  -3.38466168   2.01770738   1.49443778
 H  -3.28506040   2.73076927  -0.14991385
 H  -4.15573696   1.18128237   0.10512414
 H  -0.33607193  -2.98990523  -0.52440648
 H   2.32444634  -0.80593681  -0.59149370
 H   1.58437897   0.38459435   0.55159323
 H   1.36524142   0.59742783  -1.20965431
 13
 Energy -265.57163567
 N  -1.07193589   0.49487695  -0.01154028
 C  -2.06517548   1.05968952   0.17997133
 C  -3.28687925   1.78563396   0.41977373
 N  -0.33982025  -1.97524150  -0.40132335
 C   0.26034758  -0.96558367  -0.35396219
 C   1.45956186  -0.14572164  -0.40407445
 H  -3.37749329   2.01450324   1.49340721
 H  -3.27724664   2.72738366  -0.15138591
 H  -4.15012399   1.17875544   0.10410303
 H  -0.27789527  -2.98146988  -0.53063354
 H   2.31681270  -0.81240597  -0.59133615
 H   1.58968403   0.38544172   0.55115811
 H   1.37050778   0.59832531  -1.21029825
 13
 Energy -265.57124854
 N  -1.06868741   0.48550834  -0.01309638
 C  -2.06015015   1.05367079   0.17861261
 C  -3.28044931   1.78234683   0.41858488
 N  -0.34765864  -1.96893634  -0.39958055
 C   0.24941508  -0.95349076  -0.35114079
 C   1.45775454  -0.14476652  -0.40373069
 H  -3.37022942   2.01124245   1.49235816
 H  -3.26923814   2.72391545  -0.15295497
 H  -4.14439327   1.17617921   0.10309283
 H  -0.22274145  -2.96943942  -0.53604122
 H   2.30903039  -0.81881445  -0.59115741
 H   1.59504383   0.38625851   0.55068204
 H   1.37584215   0.59919930  -1.21091256
 13
 Energy -265.57096147
 N  -1.06541616   0.47586209  -0.01470002
 C  -2.05499549   1.04759297   0.17722455
 C  -3.27392783   1.77903158   0.41738566
 N  -0.35515305  -1.96280129  -0.39789368
 C   0.23816128  -0.94099359  -0.34823378
 C   1.45586304  -0.14385030  -0.40337883
 H  -3.36285963   2.00787956   1.49132311
 H  -3.26109092   2.72047822  -0.15443378
 H  -4.13854183   1.17355588   0.10199571
 H  -0.17056738  -2.95419325  -0.54069168
 H   2.30112200  -0.82518850  -0.59096773
 H   1.60032867   0.38695905   0.55018572
 H   1.38109430   0.59996662  -1.21149726
 13
 Energy -265.57078837
 N  -1.06215513   0.46597415  -0.01635025
 C  -2.04974041   1.04148443   0.17577848
 C  -3.26731288   1.77569689   0.41619996
 N  -0.36228620  -1.95683408  -0.39627471
 C   0.22660280  -0.92812532  -0.34521180
 C   1.45391475  -0.14297546  -0.40302407
 H  -3.35536051   2.00455733   1.49030145
 H  -3.25297555   2.71704298  -0.15590610
 H  -4.13265006   1.17094228   0.10092361
 H  -0.12116326  -2.93632658  -0.54463294
 H   2.29287502  -0.83166282  -0.59082568
 H   1.60570778   0.38751948   0.54968741
 H   1.38634065   0.60066285  -1.21206965
 13
 Energy -265.57072849
 N  -1.05886539   0.45589669  -0.01800334
 C  -2.04437459   1.03533182   0.17432353
 C  -3.26062569   1.77231629   0.41498937
 N  -0.36910042  -1.95100724  -0.39472443
 C   0.21477255  -0.91493278  -0.34211580
 C   1.45186724  -0.14212883  -0.40266789
 H  -3.34785644   2.00119270   1.48925128
 H  -3.24475763   2.71347975  -0.15753498
 H  -4.12662932   1.16821957   0.09986364
 H  -0.07468976  -2.91617686  -0.54794012
 H   2.28457920  -0.83806980  -0.59066110
 H   1.61112292   0.38816468   0.54904801
 H   1.39167734   0.60139200  -1.21253716
 13
 Energy -265.57078667
 N  -1.05547327   0.44556553  -0.01963227
 C  -2.03880312   1.02909146   0.17292431
 C  -3.25380792   1.76882553   0.41367421
 N  -0.37565532  -1.94519994  -0.39321411
 C   0.20270336  -0.90142807  -0.33901903
 C   1.44966455  -0.14119790  -0.40228730
 H  -3.34024289   1.99778885   1.48809276
 H  -3.23655874   2.70981969  -0.15922358
 H  -4.12041253   1.16519810   0.09875334
 H  -0.03207804  -2.89441194  -0.55068682
 H   2.27610881  -0.84423402  -0.59028050
 H   1.61615266   0.38890402   0.54841316
 H   1.39681314   0.60203599  -1.21306634
 13
 Energy -265.57096639
 N  -1.05203723   0.43505612  -0.02126935
 C  -2.03310925   1.02279506   0.17150933
 C  -3.24690180   1.76527681   0.41233815
 N  -0.38193993  -1.93949735  -0.39176002
 C   0.19046347  -0.88768464  -0.33586545
 C   1.44731861  -0.14020780  -0.40188382
 H  -3.33257489   1.99443092   1.48690202
 H  -3.22822126   2.70603092  -0.16102866
 H  -4.11408320   1.16210399   0.09759028
 H   0.00773314  -2.87117913  -0.55290923
 H   2.26752919  -0.85013358  -0.58983909
 H   1.62091578   0.38971488   0.54777809
 H   1.40170764   0.60271471  -1.21354599
 13
 Energy -265.57126586
 N  -1.04857205   0.42438457  -0.02295121
 C  -2.02731032   1.01644638   0.17004516
 C  -3.23990026   1.76168856   0.41100448
 N  -0.38792690  -1.93383768  -0.39034994
 C   0.17803248  -0.87367806  -0.33262276
 C   1.44485444  -0.13920536  -0.40146322
 H  -3.32490168   1.99087870   1.48572530
 H  -3.21974754   2.70229990  -0.16275925
 H  -4.10763523   1.15901213   0.09631603
 H   0.04428273  -2.84715889  -0.55458685
 H   2.25870593  -0.85601624  -0.58943974
 H   1.62572280   0.39049204   0.54712107
 H   1.40655923   0.60341918  -1.21395787
 13
 Energy -265.57168673
 N  -1.04505314   0.41358916  -0.02466462
 C  -2.02138700   1.01004720   0.16855257
 C  -3.23277535   1.75802929   0.40964825
 N  -0.39370680  -1.92818229  -0.38895852
 C   0.16545152  -0.85944975  -0.32933804
 C   1.44225430  -0.13818762  -0.40102049
 H  -3.31709963   1.98722422   1.48455573
 H  -3.21120226   2.69855576  -0.16442353
 H  -4.10111399   1.15592559   0.09501279
 H   0.07761101  -2.82244914  -0.55578467
 H   2.24959491  -0.86193658  -0.58901849
 H   1.63056789   0.39119437   0.54643903
 H   1.41143898   0.60406205  -1.21434982
 13
 Energy -265.57222576
 N  -1.04152800   0.40271808  -0.02639283
 C  -2.01538141   1.00362725   0.16703948
 C  -3.22554671   1.75432613   0.40828181
 N  -0.39929613  -1.92258086  -0.38759509
 C   0.15279490  -0.84508283  -0.32602581
 C   1.43951782  -0.13713383  -0.40055643
 H  -3.30915415   1.98367509   1.48335037
 H  -3.20259247   2.69468273  -0.16619996
 H  -4.09453348   1.15274834   0.09381334
 H   0.10881300  -2.79722255  -0.55664732
 H   2.24031036  -0.86774204  -0.58856605
 H   1.63521218   0.39187887   0.54576592
 H   1.41612722   0.60469662  -1.21469436
 13
 Energy -265.57287542
 N  -1.03800572   0.39172852  -0.02813842
 C  -2.00927433   0.99714511   0.16550637
 C  -3.21817818   1.75056554   0.40689020
 N  -0.40465908  -1.91698063  -0.38625831
 C   0.14005454  -0.83053487  -0.32268124
 C   1.43661892  -0.13600469  -0.40006236
 H  -3.30107203   1.98003876   1.48212698
 H  -3.19387489   2.69073768  -0.16803614
 H  -4.08776759   1.14945516   0.09262240
 H   0.13703514  -2.77178727  -0.55711006
 H   2.23077255  -0.87344202  -0.58807124
 H   1.63973373   0.39256166   0.54508888
 H   1.42069284   0.60532822  -1.21500079
 13
 Energy -265.57362021
 N  -1.03450449   0.38063975  -0.02989674
 C  -2.00307447   0.99064145   0.16395429
 C  -3.21064134   1.74671209   0.40547249
 N  -0.40980698  -1.91133413  -0.38494175
 C   0.12724490  -0.81586765  -0.31931335
 C   1.43352173  -0.13478030  -0.39953185
 H  -3.29290297   1.97633417   1.48088377
 H  -3.18504843   2.68672769  -0.16985991
 H  -4.08080435   1.14604844   0.09136807
 H   0.16261651  -2.74664400  -0.55727476
 H   2.22088983  -0.87912279  -0.58753326
 H   1.64423808   0.39327873   0.54438492
 H   1.42524994   0.60598843  -1.21526768
 13
 Energy -265.57444312
 N  -1.03107319   0.36947976  -0.03165837
 C  -1.99678887   0.98412158   0.16239037
 C  -3.20290085   1.74276118   0.40402010
 N  -0.41476669  -1.90567080  -0.38364596
 C   0.11443069  -0.80113503  -0.31593712
 C   1.43021611  -0.13343001  -0.39896020
 H  -3.28457729   1.97256683   1.47958492
 H  -3.17601983   2.68261590  -0.17170587
 H  -4.07367041   1.14256171   0.09009303
 H   0.18589229  -2.72148666  -0.55714689
 H   2.21062436  -0.88474090  -0.58694041
 H   1.64854883   0.39399136   0.54373042
 H   1.42960677   0.60665214  -1.21553351
 13
 Energy -265.57530155
 N  -1.02770969   0.35825441  -0.03342059
 C  -1.99042696   0.97754126   0.16081289
 C  -3.19490475   1.73868204   0.40252554
 N  -0.41959118  -1.89991605  -0.38235538
 C   0.10166024  -0.78635547  -0.31256070
 C   1.42666977  -0.13190416  -0.39833745
 H  -3.27596094   1.96870959   1.47823152
 H  -3.16672756   2.67838511  -0.17361968
 H  -4.06633166   1.13905490   0.08872745
 H   0.20668177  -2.69702181  -0.55679293
 H   2.19994391  -0.89028718  -0.58628812
 H   1.65266000   0.39474476   0.54311605
 H   1.43376152   0.60736013  -1.21577863
 13
 Energy -265.57619463
 N  -1.02450857   0.34701123  -0.03516541
 C  -1.98403369   0.97086981   0.15921515
 C  -3.18653567   1.73446836   0.40096949
 N  -0.42426174  -1.89408450  -0.38107442
 C   0.08898647  -0.77161749  -0.30920113
 C   1.42281488  -0.13015803  -0.39764993
 H  -3.26700031   1.96473480   1.47682086
 H  -3.15705407   2.67402366  -0.17556729
 H  -4.05871912   1.13552855   0.08735110
 H   0.22523458  -2.67294212  -0.55620556
 H   2.18877394  -0.89569919  -0.58555981
 H   1.65654405   0.39563079   0.54251589
 H   1.43769603   0.60819407  -1.21595098
 13
 Energy -265.57703952
 N  -1.02154324   0.33573974  -0.03688539
 C  -1.97766399   0.96403345   0.15759348
 C  -3.17762589   1.73005993   0.39929233
 N  -0.42887126  -1.88808574  -0.37978050
 C   0.07654899  -0.75704890  -0.30589109
 C   1.41859697  -0.12808051  -0.39687770
 H  -3.25755876   1.96077409   1.47523579
 H  -3.14632869   2.66963303  -0.17730455
 H  -4.05120832   1.13257419   0.08628533
 H   0.24159327  -2.64969702  -0.55544722
 H   2.17708860  -0.90080803  -0.58473123
 H   1.65996158   0.39671089   0.54203271
 H   1.44115510   0.60923184  -1.21607490
 13
 Energy -265.57779833
 N  -1.01888474   0.32443574  -0.03857143
 C  -1.97137525   0.95700167   0.15595532
 C  -3.16803812   1.72554380   0.39756508
 N  -0.43353786  -1.88189130  -0.37845592
 C   0.06451673  -0.74282412  -0.30267313
 C   1.41392382  -0.12549959  -0.39598878
 H  -3.24721450   1.95646735   1.47364944
 H  -3.13470902   2.66490977  -0.17943493
 H  -4.04277214   1.12943083   0.08466182
 H   0.25547598  -2.62731109  -0.55448492
 H   2.16487420  -0.90540175  -0.58377687
 H   1.66279754   0.39811229   0.54170222
 H   1.44402157   0.61060216  -1.21612720
 13
 Energy -265.57839541
 N  -1.01670562   0.31308123  -0.04020330
 C  -1.96522112   0.94972047   0.15431608
 C  -3.15742734   1.72090541   0.39572121
 N  -0.43827973  -1.87553773  -0.37710435
 C   0.05310247  -0.72922788  -0.29960933
 C   1.40858073  -0.12210263  -0.39491939
 H  -3.23588943   1.95212664   1.47190201
 H  -3.12185850   2.65987049  -0.18194461
 H  -4.03337738   1.12637234   0.08274940
 H   0.26656346  -2.60658615  -0.55336883
 H   2.15226912  -0.90880900  -0.58263372
 H   1.66452158   0.40021870   0.54164863
 H   1.44576246   0.61269068  -1.21600900
 13
 Energy -265.57876493
 N  -1.01528045   0.30142984  -0.04177574
 C  -1.95950673   0.94187443   0.15267068
 C  -3.14524567   1.71663978   0.39368118
 N  -0.44307404  -1.86953747  -0.37578961
 C   0.04289208  -0.71728264  -0.29689499
 C   1.40211784  -0.11682605  -0.39348609
 H  -3.22232247   1.94875493   1.46988778
 H  -3.10565864   2.65521850  -0.18451579
 H  -4.02402973   1.12576987   0.08147665
 H   0.27407536  -2.58894445  -0.55223344
 H   2.14036987  -0.90853449  -0.58114236
 H   1.66329152   0.40440920   0.54228176
 H   1.44451800   0.61688317  -1.21533388
 13
 Energy -265.57890216
 N  -1.01680534   0.28923598  -0.04300068
 C  -1.95628530   0.93430615   0.15141377
 C  -3.13248758   1.71768282   0.39219692
 N  -0.44457800  -1.86834721  -0.37548291
 C   0.03631633  -0.71181931  -0.29541991
 C   1.39407529  -0.10731759  -0.39137332
 H  -3.20605476   1.95197294   1.46824326
 H  -3.08436498   2.65503018  -0.18742137
 H  -4.01721037   1.13484064   0.08172136
 H   0.28030029  -2.58025023  -0.55200320
 H   2.13459398  -0.89679634  -0.57907192
 H   1.65383370   0.41429197   0.54461218
 H   1.43502240   0.62678348  -1.21298227
 13
 Energy -265.57895956
 N  -1.02312187   0.27787439  -0.04349268
 C  -1.95683952   0.93055620   0.15112037
 C  -3.12356479   1.72670100   0.39209140
 N  -0.43850128  -1.87433301  -0.37698593
 C   0.03410856  -0.71406252  -0.29540272
 C   1.38659690  -0.09685425  -0.38922986
 H  -3.19283800   1.96348249   1.46788845
 H  -3.06466406   2.66261774  -0.18892259
 H  -4.01568855   1.15426178   0.08368402
 H   0.29209144  -2.58037954  -0.55361926
 H   2.13531259  -0.87851029  -0.57706002
 H   1.63992216   0.42615398   0.54775729
 H   1.42100448   0.63867392  -1.20988734
 13
 Energy -265.57900295
 N  -1.03161932   0.26666420  -0.04370775
 C  -1.95854022   0.92887497   0.15115298
 C  -3.11653217   1.73802307   0.39251029
 N  -0.42908151  -1.88199180  -0.37907183
 C   0.03266359  -0.71742687  -0.29560485
 C   1.37990098  -0.08786841  -0.38735928
 H  -3.18202240   1.97646329   1.46818804
 H  -3.04710807   2.67280127  -0.18920863
 H  -4.01557773   1.17592599   0.08537817
 H   0.30848453  -2.58072917  -0.55575126
 H   2.13573153  -0.86265133  -0.57529201
 H   1.62764258   0.43619857   0.55051081
 H   1.40862040   0.64873834  -1.20725509
 13
 Energy -265.57903733
 N  -1.03986815   0.25524193  -0.04395514
 C  -1.95999247   0.92663047   0.15111090
 C  -3.10861848   1.74891391   0.39270427
 N  -0.42012304  -1.88920261  -0.38098528
 C   0.03073174  -0.72035955  -0.29567065
 C   1.37270316  -0.07864182  -0.38543434
 H  -3.17170848   1.98702877   1.46861137
 H  -3.02703717   2.68346664  -0.18786521
 H  -4.01450667   1.19865102   0.08444011
 H   0.32467269  -2.58022997  -0.55769492
 H   2.13552935  -0.84661224  -0.57315794
 H   1.61487652   0.44674071   0.55314418
 H   1.39585574   0.65870374  -1.20483068
 13
 Energy -265.57905759
 N  -1.04821097   0.24400799  -0.04432161
 C  -1.96150800   0.92451600   0.15094652
 C  -3.10076771   1.75973919   0.39298335
 N  -0.41100576  -1.89644283  -0.38277006
 C   0.02892969  -0.72343642  -0.29576715
 C   1.36544334  -0.06946831  -0.38352737
 H  -3.16196279   1.99613018   1.46938461
 H  -3.00657480   2.69458821  -0.18522443
 H  -4.01319298   1.22181085   0.08244453
 H   0.34095787  -2.57970147  -0.55939714
 H   2.13526912  -0.83042203  -0.57133264
 H   1.60204530   0.45687190   0.55591911
 H   1.38284528   0.66884830  -1.20217961
 13
 Energy -265.57906823
 N  -1.05610020   0.23336875  -0.04478960
 C  -1.96271601   0.92260053   0.15073203
 C  -3.09264174   1.77029916   0.39319951
 N  -0.40274631  -1.90327512  -0.38384556
 C   0.02703973  -0.72650653  -0.29582836
 C   1.35825666  -0.06102138  -0.38213643
 H  -3.15782967   1.99715631   1.47144454
 H  -2.98153352   2.70932452  -0.17517709
 H  -4.01036202   1.24827514   0.07147393
 H   0.35523610  -2.57989170  -0.56021773
 H   2.13459130  -0.81535677  -0.56996631
 H   1.58978282   0.46645795   0.55792786
 H   1.37006513   0.67794451  -1.20028304
