 13
 Energy -356.74860295
 C   1.06537309   1.49262385  -0.65509913
 C   0.71051814   0.22849197   0.11168809
 N  -0.41904217  -0.56607821  -0.48769612
 N  -1.23296480   0.11911655  -1.15642099
 C  -1.09456924   1.51281269  -1.53625233
 N  -0.03400984   2.16380293  -1.31353945
 O   0.12944446   0.55369813   1.34991328
 H   0.30812146  -0.15016635   2.00824761
 H   1.82489959   1.29045326  -1.43511998
 H   1.54202143   2.20758732   0.04297604
 H   1.56342431  -0.46382782   0.18492351
 H  -2.09722941  -0.38029456  -1.44437133
 H  -1.97339473   1.92363688  -2.04520238
 13
 Energy -356.74848722
 C   1.07623106   1.47154843  -0.67555624
 C   0.71128787   0.22677583   0.11341298
 N  -0.40101349  -0.57787963  -0.50764437
 N  -1.22700373   0.11474664  -1.15357043
 C  -1.10459805   1.51999847  -1.49572574
 N  -0.03419597   2.16243824  -1.29433953
 O   0.10833463   0.58223860   1.33191762
 H   0.26944048  -0.10845909   2.00794069
 H   1.80106388   1.24396416  -1.48179419
 H   1.59641145   2.17889665  -0.00123187
 H   1.56304991  -0.46274818   0.21790728
 H  -2.07935808  -0.39078039  -1.46559263
 H  -1.99750472   1.94303505  -1.96888779
 13
 Energy -356.74818782
 C   1.08547990   1.45112729  -0.69128025
 C   0.70973440   0.22466985   0.11811685
 N  -0.38119819  -0.58986928  -0.53252914
 N  -1.22059963   0.11036743  -1.15199681
 C  -1.11333057   1.52650662  -1.45512656
 N  -0.03221506   2.15836413  -1.27732748
 O   0.08651364   0.61336699   1.31470752
 H   0.21495561  -0.07022929   2.00426394
 H   1.78269880   1.20459023  -1.51652756
 H   1.63842661   2.15165932  -0.03594222
 H   1.55922801  -0.46183517   0.25474946
 H  -2.05726633  -0.40085668  -1.49607772
 H  -2.01809986   1.96132598  -1.89365735
 13
 Energy -356.74770957
 C   1.09292461   1.43090997  -0.70491070
 C   0.70613968   0.22180873   0.12433211
 N  -0.36050910  -0.60105926  -0.56062223
 N  -1.21483334   0.10610791  -1.15075978
 C  -1.12223944   1.53262114  -1.41381548
 N  -0.02998773   2.15216948  -1.26200932
 O   0.06783952   0.64606534   1.29880878
 H   0.15572791  -0.03338594   1.99816826
 H   1.76668771   1.16976200  -1.54534686
 H   1.67223171   2.12494412  -0.06512661
 H   1.55217085  -0.46214830   0.29093516
 H  -2.03155572  -0.40946411  -1.53456852
 H  -2.03724033   1.97871767  -1.81820925
 13
 Energy -356.74708566
 C   1.09924677   1.41061518  -0.71775907
 C   0.70078403   0.21823516   0.13140841
 N  -0.33924020  -0.61066615  -0.58982409
 N  -1.20937438   0.10188072  -1.14957159
 C  -1.13077035   1.53823745  -1.37227639
 N  -0.02788674   2.14454849  -1.24744231
 O   0.05123213   0.67950280   1.28340261
 H   0.09352431   0.00277331   1.98902257
 H   1.75088344   1.13640589  -1.57155937
 H   1.70167829   2.09795931  -0.09192622
 H   1.54240135  -0.46348123   0.32642483
 H  -2.00279784  -0.41546904  -1.57774665
 H  -2.05458605   1.99498879  -1.74289562
 13
 Energy -356.74634276
 C   1.10483117   1.38978711  -0.73097720
 C   0.69435684   0.21435301   0.13886585
 N  -0.31794347  -0.61827447  -0.61821822
 N  -1.20351184   0.09745409  -1.14942472
 C  -1.13847569   1.54316515  -1.33088249
 N  -0.02641881   2.13660121  -1.23177999
 O   0.03554352   0.71282389   1.26782533
 H   0.03231880   0.04082724   1.97869658
 H   1.73137756   1.10109697  -1.59886282
 H   1.73176686   2.06942154  -0.12098078
 H   1.53067890  -0.46545829   0.36098930
 H  -1.97179430  -0.41809650  -1.62341689
 H  -2.07023002   2.00974321  -1.66730201
 13
 Energy -356.74546226
 C   1.10921914   1.36785437  -0.74467839
 C   0.68669369   0.21033575   0.14700306
 N  -0.29748845  -0.62393621  -0.64509354
 N  -1.19675925   0.09243907  -1.15256396
 C  -1.14542469   1.54698796  -1.29081393
 N  -0.02624461   2.12900798  -1.21313631
 O   0.02176527   0.74659870   1.25277674
 H  -0.02067700   0.08379934   1.97051267
 H   1.70475568   1.06178367  -1.62847802
 H   1.76438278   2.03761977  -0.15426901
 H   1.51670727  -0.46827839   0.39458183
 H  -1.93671311  -0.41831993  -1.67458997
 H  -2.08438175   2.02221344  -1.59265142
 13
 Energy -356.74438278
 C   1.11178670   1.34476922  -0.75737947
 C   0.67789330   0.20572127   0.15598997
 N  -0.27992300  -0.62791670  -0.66989705
 N  -1.18934634   0.08658993  -1.16245785
 C  -1.15214495   1.54875157  -1.25464779
 N  -0.02820772   2.12165984  -1.18914599
 O   0.01356192   0.78248844   1.23961770
 H  -0.06534825   0.13309449   1.96613518
 H   1.67024776   1.02028182  -1.65882731
 H   1.79814425   2.00229997  -0.19011622
 H   1.49968595  -0.47395826   0.42649597
 H  -1.89689531  -0.41670819  -1.73451836
 H  -2.09711919   2.03170144  -1.52285190
 13
 Energy -356.74292767
 C   1.11237777   1.32177750  -0.76670149
 C   0.66826493   0.19979187   0.16506655
 N  -0.26719328  -0.63049004  -0.69224173
 N  -1.18251896   0.08007936  -1.18036220
 C  -1.15919198   1.54750870  -1.22526643
 N  -0.03273961   2.11392199  -1.15881165
 O   0.01515370   0.82140588   1.22911033
 H  -0.11090836   0.18565569   1.96087354
 H   1.63247709   0.98316924  -1.68580700
 H   1.82823628   1.96478293  -0.22095551
 H   1.47915669  -0.48477383   0.45500628
 H  -1.85430772  -0.41420841  -1.80165318
 H  -2.10845355   2.03732283  -1.46354544
 13
 Energy -356.74082219
 C   1.11186603   1.30081725  -0.77175891
 C   0.65866359   0.19184489   0.17287146
 N  -0.25937116  -0.63176134  -0.71102162
 N  -1.17716223   0.07346355  -1.20338408
 C  -1.16640637   1.54313412  -1.20388673
 N  -0.03947597   2.10541510  -1.12346521
 O   0.02683891   0.86210715   1.21990998
 H  -0.17560783   0.23939285   1.94583901
 H   1.59802896   0.95704243  -1.70710267
 H   1.85082327   1.92859287  -0.24049647
 H   1.45604850  -0.50122510   0.47942619
 H  -1.81344922  -0.41247052  -1.86741915
 H  -2.11829478   2.03872197  -1.41789776
 13
 Energy -356.73776477
 C   1.11150185   1.28307328  -0.77397085
 C   0.64961763   0.18217361   0.17813231
 N  -0.25455272  -0.63195335  -0.72601255
 N  -1.17347498   0.06712986  -1.22682479
 C  -1.17296927   1.53642032  -1.18931893
 N  -0.04748633   2.09662038  -1.08510150
 O   0.04506442   0.90174446   1.21070919
 H  -0.27134945   0.29729208   1.91107509
 H   1.56929112   0.94370594  -1.72466282
 H   1.86699506   1.89584747  -0.24964490
 H   1.43206051  -0.52080402   0.50034965
 H  -1.77896316  -0.41246854  -1.92346953
 H  -2.12643123   2.03664479  -1.38409063
 13
 Energy -356.73349336
 C   1.11230198   1.26853490  -0.77537211
 C   0.64093290   0.17180847   0.18012303
 N  -0.25124052  -0.63201353  -0.73790856
 N  -1.17096384   0.06128877  -1.24827424
 C  -1.17805738   1.52806458  -1.17939333
 N  -0.05595157   2.08805190  -1.04452132
 O   0.06551571   0.93844148   1.20105312
 H  -0.38915613   0.37100372   1.85486392
 H   1.54553856   0.94093792  -1.74099438
 H   1.88028846   1.86597271  -0.25260570
 H   1.40811895  -0.53984814   0.51952519
 H  -1.75380557  -0.41496042  -1.96596292
 H  -2.13278706   2.03176393  -1.35774309
 13
 Energy -356.72798429
 C   1.11510643   1.25657463  -0.77692626
 C   0.63264184   0.16206040   0.17838762
 N  -0.24934160  -0.63344092  -0.74760782
 N  -1.16864371   0.05626690  -1.26764289
 C  -1.18140692   1.51831350  -1.17197158
 N  -0.06439520   2.07977963  -1.00179220
 O   0.08480479   0.97195812   1.19101926
 H  -0.51059902   0.46729015   1.78010401
 H   1.52517352   0.94522571  -1.75729399
 H   1.89302838   1.83894471  -0.25315799
 H   1.38459018  -0.55524885   0.53873393
 H  -1.73874839  -0.41859878  -1.99595511
 H  -2.13747056   2.02445149  -1.33511816
 13
 Energy -356.72151793
 C   1.12013812   1.24656246  -0.77852479
 C   0.62535852   0.15328677   0.17198708
 N  -0.24930025  -0.63771994  -0.75634452
 N  -1.16605434   0.05242332  -1.28536115
 C  -1.18282208   1.50705442  -1.16537154
 N  -0.07228677   2.07135956  -0.95664800
 O   0.10059453   1.00425991   1.18081288
 H  -0.61775626   0.58066705   1.69182507
 H   1.50759289   0.95419262  -1.77315126
 H   1.90576783   1.81507295  -0.25286266
 H   1.36138689  -0.56581147   0.55907179
 H  -1.73450542  -0.42188508  -2.01470470
 H  -2.14035041   2.01476452  -1.31389965
 13
 Energy -356.71429963
 C   1.12679262   1.23817466  -0.77971572
 C   0.62108410   0.14297542   0.15804044
 N  -0.25138331  -0.64567132  -0.76490220
 N  -1.16270685   0.05031378  -1.30164655
 C  -1.18252159   1.49430568  -1.15865059
 N  -0.07906718   2.06200801  -0.90946774
 O   0.11041946   1.03930368   1.17186725
 H  -0.69797681   0.69677479   1.60455665
 H   1.49314120   0.96730511  -1.78765144
 H   1.91783668   1.79485968  -0.25162024
 H   1.33989235  -0.57308624   0.57903255
 H  -1.74044207  -0.42391826  -2.02281671
 H  -2.14152076   2.00306377  -1.29339388
 13
 Energy -356.70617561
 C   1.13380722   1.23146450  -0.78035694
 C   0.62288156   0.12679309   0.13311026
 N  -0.25496077  -0.65634044  -0.77290975
 N  -1.15857984   0.05040566  -1.31563748
 C  -1.18132573   1.48101513  -1.15189554
 N  -0.08393055   2.05163030  -0.86334606
 O   0.11208948   1.07957127   1.16771873
 H  -0.75302360   0.79826096   1.53332774
 H   1.48182189   0.98477012  -1.80031790
 H   1.92819466   1.77822453  -0.24907008
 H   1.32301425  -0.58041046   0.59527928
 H  -1.75369964  -0.42406754  -2.02135351
 H  -2.14110633   1.99112624  -1.27505165
 13
 Energy -356.69670013
 C   1.13992250   1.22623957  -0.78057307
 C   0.63150780   0.10332919   0.09822491
 N  -0.25879624  -0.66747715  -0.77921362
 N  -1.15447100   0.05246521  -1.32674676
 C  -1.17996067   1.46837729  -1.14555732
 N  -0.08650981   2.04100807  -0.82158747
 O   0.10609328   1.12335712   1.16936215
 H  -0.79192118   0.88038480   1.48545154
 H   1.47312045   1.00506604  -1.81093761
 H   1.93636219   1.76441330  -0.24548779
 H   1.31193479  -0.58952818   0.60608015
 H  -1.76943911  -0.42245404  -2.01383408
 H  -2.13943116   1.98088850  -1.26032531
 13
 Energy -356.68633773
 C   1.14473200   1.22193988  -0.78039641
 C   0.64491358   0.07478791   0.05764549
 N  -0.26197145  -0.67755391  -0.78297104
 N  -1.15070916   0.05588487  -1.33571287
 C  -1.17902357   1.45675155  -1.13962001
 N  -0.08723538   2.03064122  -0.78416946
 O   0.09509809   1.16757424   1.17397369
 H  -0.82266981   0.95060733   1.45682283
 H   1.46545178   1.02642390  -1.81978357
 H   1.94271342   1.75237942  -0.24153137
 H   1.30498323  -0.59978310   0.61228760
 H  -1.78441207  -0.41958725  -2.00395439
 H  -2.13705264   1.97296665  -1.24882216
 13
 Energy -356.67633432
 C   1.14830454   1.21807860  -0.77974655
 C   0.66092971   0.04348903   0.01449727
 N  -0.26418906  -0.68630829  -0.78389654
 N  -1.14729648   0.06031189  -1.34366940
 C  -1.17868535   1.44565703  -1.13369701
 N  -0.08654207   2.02060816  -0.74896889
 O   0.08129176   1.21079799   1.17820283
 H  -0.84935220   1.01711130   1.44095703
 H   1.45759583   1.04832601  -1.82725582
 H   1.94811899   1.74097349  -0.23760484
 H   1.30031182  -0.61021318   0.61471042
 H  -1.79769979  -0.41570618  -1.99389070
 H  -2.13434838   1.96679871  -1.23919898
 13
 Energy -356.66799625
 C   1.15083785   1.21443332  -0.77858215
 C   0.67822200   0.01083416  -0.02938021
 N  -0.26544582  -0.69394558  -0.78190595
 N  -1.14415237   0.06562285  -1.35143276
 C  -1.17907339   1.43468063  -1.12751906
 N  -0.08460556   2.01090247  -0.71397702
 O   0.06583099   1.25256446   1.17973772
 H  -0.87361073   1.08445171   1.43274831
 H   1.44888333   1.07026039  -1.83348617
 H   1.95305178   1.72994100  -0.23400095
 H   1.29779765  -0.62108782   0.61248529
 H  -1.80910775  -0.41096110  -1.98476967
 H  -2.13158415   1.96191284  -1.23058233
 13
 Energy -356.66246135
 C   1.15245382   1.21099836  -0.77697963
 C   0.69598212  -0.02217294  -0.07263670
 N  -0.26587558  -0.70091409  -0.77710557
 N  -1.14126010   0.07166632  -1.35941902
 C  -1.18025644   1.42368206  -1.12098038
 N  -0.08139652   2.00156879  -0.67774477
 O   0.04930575   1.29280713   1.17710759
 H  -0.89573625   1.15305971   1.42900470
 H   1.43903185   1.09165424  -1.83858312
 H   1.95755937   1.71944946  -0.23087092
 H   1.29890792  -0.63346851   0.60376830
 H  -1.81868257  -0.40557258  -1.97719426
 H  -2.12880664   1.95812025  -1.22303411
 13
 Energy -356.66053430
 C   1.15328142   1.20778417  -0.77513700
 C   0.71379092  -0.05456049  -0.11412051
 N  -0.26582595  -0.70783093  -0.77018512
 N  -1.13859191   0.07817826  -1.36764851
 C  -1.18197801   1.41275807  -1.11383050
 N  -0.07710688   1.99265993  -0.63949643
 O   0.03211422   1.33146985   1.16955382
 H  -0.91564674   1.22418427   1.42793396
 H   1.42793151   1.11254566  -1.84264860
 H   1.96192339   1.70910201  -0.22820900
 H   1.30477646  -0.64853486   0.58786718
 H  -1.82686885  -0.39966210  -1.97115607
 H  -2.12577958   1.95546615  -1.21705321
 13
 Energy -356.66238803
 C   1.15362166   1.20473684  -0.77320621
 C   0.73156408  -0.08549743  -0.15308854
 N  -0.26567705  -0.71522614  -0.76223970
 N  -1.13605129   0.08479037  -1.37589326
 C  -1.18382405   1.40234560  -1.10577606
 N  -0.07227008   1.98397323  -0.59911065
 O   0.01447346   1.36855681   1.15715167
 H  -0.93333874   1.29940795   1.42776011
 H   1.41557241   1.13329630  -1.84575512
 H   1.96640331   1.69848763  -0.22576405
 H   1.31564685  -0.66713373   0.56509087
 H  -1.83406253  -0.39333964  -1.96648740
 H  -2.12219296   1.95406828  -1.21302183
 13
 Energy -356.66736078
 C   1.15369325   1.20169705  -0.77121611
 C   0.74933154  -0.11450737  -0.18936407
 N  -0.26569531  -0.72343261  -0.75443357
 N  -1.13356533   0.09109201  -1.38365513
 C  -1.18519716   1.39307141  -1.09642511
 N  -0.06756917   1.97503395  -0.55728438
 O  -0.00359216   1.40427692   1.14077035
 H  -0.94868795   1.38133562   1.42683695
 H   1.40210927   1.15453927  -1.84792215
 H   1.97115894   1.68681226  -0.22302212
 H   1.33196251  -0.68945218   0.53565710
 H  -1.83974039  -0.38650433  -1.96384281
 H  -2.11772008   1.95386094  -1.21077424
 13
 Energy -356.67423298
 C   1.15354885   1.19832915  -0.76897788
 C   0.76728186  -0.14172302  -0.22346774
 N  -0.26586449  -0.73244261  -0.74785540
 N  -1.13099204   0.09680735  -1.39040742
 C  -1.18553445   1.38550474  -1.08530624
 N  -0.06366160   1.96526457  -0.51563948
 O  -0.02228203   1.43896389   1.12204518
 H  -0.96089492   1.47480357   1.42491422
 H   1.38786298   1.17717449  -1.84898827
 H   1.97608488   1.67352399  -0.21946952
 H   1.35289614  -0.71536984   0.50048025
 H  -1.84355528  -0.37887103  -1.96360300
 H  -2.11238240   1.95458751  -1.20840265
 13
 Energy -356.68167674
 C   1.15323928   1.19418431  -0.76623024
 C   0.78552977  -0.16778609  -0.25609272
 N  -0.26606508  -0.74150243  -0.74362378
 N  -1.12817625   0.10186617  -1.39571838
 C  -1.18469267   1.37991234  -1.07211153
 N  -0.06067896   1.95380271  -0.47673533
 O  -0.04208955   1.47308964   1.10360170
 H  -0.96757149   1.58661837   1.42340936
 H   1.37393702   1.20042982  -1.84874609
 H   1.98036806   1.65816569  -0.21461669
 H   1.37706834  -0.74545911   0.46029131
 H  -1.84396019  -0.37016314  -1.96754759
 H  -2.10686032   1.95577131  -1.20206168
 13
 Energy -356.68901946
 C   1.15298969   1.18871489  -0.76232497
 C   0.80397209  -0.19311909  -0.28854344
 N  -0.26540863  -0.75089137  -0.74230835
 N  -1.12505026   0.10652607  -1.39959675
 C  -1.18311419   1.37601221  -1.05729945
 N  -0.05878366   1.94118208  -0.44376942
 O  -0.06363788   1.50653701   1.08878718
 H  -0.96315643   1.72337742   1.42526872
 H   1.36092245   1.22489434  -1.84616459
 H   1.98489619   1.64208251  -0.20797036
 H   1.40412981  -0.77708394   0.41564637
 H  -1.84347113  -0.36073231  -1.97145087
 H  -2.10265301   1.95625087  -1.18839194
 13
 Energy -356.69567015
 C   1.15319819   1.18214225  -0.75717637
 C   0.82212535  -0.21712854  -0.32057423
 N  -0.26336745  -0.76051784  -0.74476455
 N  -1.12185150   0.11051105  -1.40191568
 C  -1.18151956   1.37311001  -1.04179512
 N  -0.05759724   1.92826444  -0.41898677
 O  -0.08725717   1.53874278   1.08024951
 H  -0.93798497   1.88618580   1.43102750
 H   1.35095439   1.24843721  -1.84123239
 H   1.98837813   1.62567844  -0.19931503
 H   1.43286683  -0.80930918   0.36760898
 H  -1.84440131  -0.35157443  -1.97215193
 H  -2.10119757   1.95480083  -1.16601821
 13
 Energy -356.70178428
 C   1.15431253   1.17490983  -0.75146593
 C   0.83873941  -0.23873723  -0.35013234
 N  -0.26008757  -0.76941056  -0.75182843
 N  -1.11917706   0.11326828  -1.40260817
 C  -1.18038077   1.37046576  -1.02636872
 N  -0.05633353   1.91529641  -0.40186745
 O  -0.11277764   1.56933660   1.07802618
 H  -0.88059418   2.06702655   1.43740870
 H   1.34660138   1.26721213  -1.83470667
 H   1.99054155   1.60940817  -0.18840723
 H   1.46065793  -0.84200721   0.31833930
 H  -1.84596882  -0.34362900  -1.97101206
 H  -2.10253207   1.95098398  -1.13623852
 13
 Energy -356.70746198
 C   1.15667160   1.16734910  -0.74536685
 C   0.85286693  -0.25741563  -0.37635130
 N  -0.25547658  -0.77784241  -0.76309768
 N  -1.11749019   0.11478234  -1.40232392
 C  -1.17970694   1.36742171  -1.01116747
 N  -0.05476301   1.90280418  -0.38971094
 O  -0.13995453   1.59888003   1.07973461
 H  -0.78414575   2.24725563   1.44088796
 H   1.34762116   1.28190299  -1.82699180
 H   1.99284835   1.59400103  -0.17621786
 H   1.48555511  -0.87236502   0.27113107
 H  -1.84993255  -0.33728400  -1.96657287
 H  -2.10557619   1.94496782  -1.10167914
 13
 Energy -356.71274916
 C   1.16028092   1.15974604  -0.73897205
 C   0.86460558  -0.27353171  -0.39946105
 N  -0.24988440  -0.78616830  -0.77791448
 N  -1.11671499   0.11518876  -1.40168076
 C  -1.17927866   1.36373070  -0.99560806
 N  -0.05294808   1.89037966  -0.37979636
 O  -0.16842762   1.62933328   1.08292113
 H  -0.65240042   2.40658550   1.43935463
 H   1.35271805   1.29366130  -1.81851018
 H   1.99562352   1.57864660  -0.16317874
 H   1.50658175  -0.89993659   0.22771511
 H  -1.85646749  -0.33199515  -1.95950218
 H  -2.10932973   1.93723587  -1.06295785
 13
 Energy -356.71761969
 C   1.16485323   1.15180968  -0.73215148
 C   0.87447047  -0.28814640  -0.42041096
 N  -0.24363410  -0.79458864  -0.79582050
 N  -1.11644092   0.11478757  -1.40127456
 C  -1.17909177   1.35934113  -0.97914246
 N  -0.05143745   1.87704310  -0.37026157
 O  -0.19708339   1.66329602   1.08630479
 H  -0.49998910   2.53133580   1.43280889
 H   1.36028051   1.30414442  -1.80900669
 H   1.99913897   1.56271864  -0.14905975
 H   1.52377053  -0.92514770   0.18835143
 H  -1.86405242  -0.32709332  -1.95196505
 H  -2.11340259   1.92787617  -1.01905770
 13
 Energy -356.72199600
 C   1.16985954   1.14321050  -0.72437079
 C   0.88288771  -0.30235897  -0.44005730
 N  -0.23702801  -0.80318652  -0.81675924
 N  -1.11619137   0.11375111  -1.40183701
 C  -1.17937485   1.35401022  -0.96157565
 N  -0.05105228   1.86206809  -0.35986901
 O  -0.22387798   1.70278735   1.08956713
 H  -0.34643636   2.61891805   1.42289797
 H   1.36871525   1.31438054  -1.79792130
 H   2.00257104   1.54591563  -0.13337564
 H   1.53786717  -0.94938537   0.15185262
 H  -1.87094271  -0.32206103  -1.94671848
 H  -2.11784672   1.91633081  -0.96997558
 13
 Energy -356.72589930
 C   1.17449808   1.13391034  -0.71504914
 C   0.88992396  -0.31687175  -0.45881322
 N  -0.23033824  -0.81205517  -0.84089035
 N  -1.11557472   0.11210510  -1.40416573
 C  -1.18040507   1.34720662  -0.94309781
 N  -0.05240830   1.84538290  -0.34785791
 O  -0.24634214   1.74841642   1.09311761
 H  -0.21110567   2.67843575   1.40905523
 H   1.37680438   1.32449711  -1.78464047
 H   2.00497875   1.52808218  -0.11510012
 H   1.54928570  -0.97360961   0.11729590
 H  -1.87616050  -0.31678518  -1.94546418
 H  -2.12277214   1.90178202  -0.91765999
 13
 Energy -356.72938572
 C   1.17796720   1.12423900  -0.70386133
 C   0.89537074  -0.33171363  -0.47662071
 N  -0.22377671  -0.82130926  -0.86800318
 N  -1.11436144   0.10988201  -1.40884242
 C  -1.18237425   1.33841672  -0.92401997
 N  -0.05576705   1.82749871  -0.33404727
 O  -0.26258924   1.79906868   1.09737822
 H  -0.10522900   2.72426233   1.39027695
 H   1.38409886   1.33441295  -1.76894374
 H   2.00513205   1.50939130  -0.09359268
 H   1.55819009  -0.99775946   0.08460885
 H  -1.87915089  -0.31120642  -1.94944973
 H  -2.12822929   1.88390515  -0.86556469
 13
 Energy -356.73255917
 C   1.17989555   1.11465567  -0.69083479
 C   0.89915567  -0.34643796  -0.49333061
 N  -0.21748241  -0.83075719  -0.89726161
 N  -1.11273908   0.10715375  -1.41581158
 C  -1.18511835   1.32750056  -0.90469535
 N  -0.06086948   1.80910091  -0.31866785
 O  -0.27233510   1.85253088   1.10214302
 H  -0.02852304   2.76798162   1.36600025
 H   1.39087020   1.34406130  -1.75081255
 H   2.00253845   1.49041805  -0.06875698
 H   1.56469392  -1.02148367   0.05364653
 H  -1.88052764  -0.30545142  -1.95771764
 H  -2.13402142   1.86320610  -0.81721132
 13
 Energy -356.73548711
 C   1.18049827   1.10541067  -0.67622890
 C   0.90144210  -0.36071868  -0.50904335
 N  -0.21144034  -0.84015955  -0.92766722
 N  -1.11086374   0.10424779  -1.42447234
 C  -1.18843706   1.31473919  -0.88517547
 N  -0.06713435   1.79056181  -0.30203225
 O  -0.27684362   1.90691319   1.10663469
 H   0.02521437   2.81452664   1.33588172
 H   1.39760344   1.35359685  -1.73059046
 H   1.99753779   1.47102151  -0.04101108
 H   1.56957173  -1.04401772   0.02426307
 H  -1.88116733  -0.29954636  -1.96857606
 H  -2.14002242   1.84073336  -0.77368495
 13
 Energy -356.73819199
 C   1.18019526   1.09643227  -0.66022844
 C   0.90274477  -0.37438550  -0.52404891
 N  -0.20544976  -0.84934830  -0.95872540
 N  -1.10886314   0.10154436  -1.43385070
 C  -1.19229579   1.30064137  -0.86534114
 N  -0.07412830   1.77208553  -0.28444284
 O  -0.27788678   1.96106511   1.10997042
 H   0.06407296   2.86363975   1.30056100
 H   1.40518297   1.36328843  -1.70822301
 H   1.99050592   1.45089645  -0.01041067
 H   1.57350262  -1.06556784  -0.00455404
 H  -1.88149734  -0.29325009  -1.98043272
 H  -2.14628720   1.81732065  -0.73416301
 13
 Energy -356.74065904
 C   1.17936569   1.08756497  -0.64283623
 C   0.90363429  -0.38750831  -0.53890770
 N  -0.19938425  -0.85803954  -0.99014449
 N  -1.10710201   0.09914427  -1.44307652
 C  -1.19636521   1.28568044  -0.84516312
 N  -0.08134981   1.75367940  -0.26602489
 O  -0.27714259   2.01456540   1.11149810
 H   0.09443981   2.91333999   1.26088034
 H   1.41414365   1.37353456  -1.68356955
 H   1.98172588   1.42976386   0.02310561
 H   1.57764943  -1.08645771  -0.03435172
 H  -1.88247876  -0.28684517  -1.99128858
 H  -2.15247888   1.79372142  -0.69783577
 13
 Energy -356.74287366
 C   1.17841901   1.07866598  -0.62395961
 C   0.90454216  -0.40016231  -0.55429474
 N  -0.19324347  -0.86605054  -1.02172268
 N  -1.10586665   0.09703087  -1.45148875
 C  -1.20037696   1.27023255  -0.82466692
 N  -0.08849093   1.73535367  -0.24684261
 O  -0.27573920   2.06723655   1.11082854
 H   0.11937637   2.96218666   1.21759499
 H   1.42504071   1.38480553  -1.65614703
 H   1.97183931   1.40670712   0.05949146
 H   1.58253197  -1.10674360  -0.06608273
 H  -1.88484889  -0.28061383  -1.99971668
 H  -2.15824725   1.77064477  -0.66405245
 13
 Energy -356.74480713
 C   1.17780808   1.06960118  -0.60342556
 C   0.90577278  -0.41231178  -0.57080802
 N  -0.18712889  -0.87322158  -1.05327060
 N  -1.10555888   0.09510749  -1.45836932
 C  -1.20412721   1.25462650  -0.80402644
 N  -0.09519968   1.71709775  -0.22707023
 O  -0.27436671   2.11888960   1.10766617
 H   0.13930478   3.00970043   1.17082934
 H   1.43905399   1.39752677  -1.62530630
 H   1.96068924   1.38111460   0.09965360
 H   1.58867407  -1.12656207  -0.10104714
 H  -1.88923789  -0.27490410  -2.00449239
 H  -2.16331973   1.74876839  -0.63278363
 13
 Energy -356.74645272
 C   1.17779191   1.06030796  -0.58095929
 C   0.90754653  -0.42371622  -0.58871989
 N  -0.18100643  -0.87944002  -1.08475910
 N  -1.10668767   0.09306618  -1.46310227
 C  -1.20748263   1.23918725  -0.78347425
 N  -0.10125267   1.69902549  -0.20706695
 O  -0.27330738   2.16918362   1.10188894
 H   0.15344522   3.05601444   1.12036770
 H   1.45729981   1.41195293  -1.59009485
 H   1.94803666   1.35273224   0.14406717
 H   1.59679543  -1.14562967  -0.14049454
 H  -1.89605944  -0.27028625  -2.00491862
 H  -2.16742191   1.72880008  -0.60398340
 13
 Energy -356.74781965
 C   1.17860785   1.05067304  -0.55605509
 C   0.90986695  -0.43415068  -0.60805455
 N  -0.17483809  -0.88448096  -1.11635566
 N  -1.10952689   0.09060799  -1.46528637
 C  -1.21034075   1.22427115  -0.76338128
 N  -0.10649280   1.68156359  -0.18726016
 O  -0.27305020   2.21767769   1.09328631
 H   0.16574894   3.09853962   1.06862446
 H   1.48082052   1.42814753  -1.54931520
 H   1.93364246   1.32024809   0.19369867
 H   1.60687075  -1.16365051  -0.18479890
 H  -1.90551558  -0.26732523  -2.00048557
 H  -2.17031430   1.71137184  -0.57765230
 13
 Energy -356.74889758
 C   1.18045426   1.04066488  -0.52860007
 C   0.91296404  -0.44326544  -0.62924451
 N  -0.16888725  -0.88815705  -1.14751960
 N  -1.11429836   0.08743769  -1.46452902
 C  -1.21264437   1.21033276  -0.74430145
 N  -0.11083271   1.66461742  -0.16786104
 O  -0.27369347   2.26391637   1.08190023
 H   0.17676994   3.13687141   1.01613005
 H   1.51028683   1.44626158  -1.50188240
 H   1.91689827   1.28332365   0.24878436
 H   1.61910981  -1.18001853  -0.23456440
 H  -1.91725406  -0.26607865  -1.99178179
 H  -2.17186796   1.69736795  -0.55474486
 13
 Energy -356.74972923
 C   1.18316670   1.03021798  -0.49855891
 C   0.91684769  -0.45066604  -0.65225398
 N  -0.16320579  -0.89040042  -1.17795142
 N  -1.12115931   0.08333236  -1.46080656
 C  -1.21442305   1.19742451  -0.72637910
 N  -0.11423427   1.64859560  -0.14949334
 O  -0.27475539   2.30732315   1.06812608
 H   0.18355055   3.17230984   0.96218066
 H   1.54554865   1.46556687  -1.44728247
 H   1.89748860   1.24181326   0.30858819
 H   1.63375926  -1.19379870  -0.29012139
 H  -1.93123655  -0.26702187  -1.97879817
 H  -2.17202353   1.68698849  -0.53524189
 13
 Energy -356.75034249
 C   1.18636519   1.01908487  -0.46584725
 C   0.92133205  -0.45610665  -0.67652715
 N  -0.15755866  -0.89114753  -1.20789383
 N  -1.12980217   0.07814451  -1.45423382
 C  -1.21591794   1.18561709  -0.70975144
 N  -0.11684778   1.63421286  -0.13285896
 O  -0.27602409   2.34750206   1.05219107
 H   0.18912926   3.20360331   0.90952736
 H   1.58598895   1.48481156  -1.38488517
 H   1.87437627   1.19566833   0.37269041
 H   1.65052500  -1.20423540  -0.35071569
 H  -1.94727137  -0.27081488  -1.96106870
 H  -2.17126829   1.67938697  -0.51819899
 13
 Energy -356.75075511
 C   1.18951996   1.00713441  -0.43105475
 C   0.92632274  -0.45942055  -0.70191947
 N  -0.15198715  -0.89051996  -1.23724268
 N  -1.13984634   0.07181098  -1.44490587
 C  -1.21725631   1.17483334  -0.69428590
 N  -0.11885593   1.62148830  -0.11797702
 O  -0.27708533   2.38459272   1.03462772
 H   0.19485612   3.23074328   0.85828191
 H   1.62946400   1.50263272  -1.31567985
 H   1.84802834   1.14527938   0.43864844
 H   1.66902335  -1.21062769  -0.41562648
 H  -1.96420534  -0.27618254  -1.94081481
 H  -2.16984582   1.67415103  -0.50338525
 13
 Energy -356.75100234
 C   1.19204811   0.99397623  -0.39469942
 C   0.93154254  -0.46083446  -0.72771379
 N  -0.14638823  -0.88856421  -1.26620398
 N  -1.15077478   0.06444897  -1.43317113
 C  -1.21862561   1.16490903  -0.67972921
 N  -0.12041997   1.61057927  -0.10493278
 O  -0.27739209   2.41895042   1.01582652
 H   0.20034490   3.25478739   0.80822891
 H   1.67377754   1.51774715  -1.24065825
 H   1.81804665   1.09145253   0.50490333
 H   1.68892195  -1.21257998  -0.48377662
 H  -1.98094704  -0.28312800  -1.91922111
 H  -2.16812705   1.67079543  -0.49062525
 13
 Energy -356.75111386
 C   1.19360313   0.97942675  -0.35713710
 C   0.93696693  -0.46033265  -0.75402249
 N  -0.14095597  -0.88535461  -1.29448895
 N  -1.16222120   0.05627781  -1.41940488
 C  -1.22000471   1.15593363  -0.66604332
 N  -0.12153364   1.60142278  -0.09377055
 O  -0.27683693   2.45065519   0.99612832
 H   0.20733129   3.27538540   0.76055967
 H   1.71803438   1.52935900  -1.16025400
 H   1.78443449   1.03405773   0.57035437
 H   1.70976249  -1.20983292  -0.55477241
 H  -1.99783591  -0.29173041  -1.89543166
 H  -2.16616240   1.66895327  -0.47929464
