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 94
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 94
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 94
 Energy -2441.194828487 
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 94
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 94
 Energy -2441.194774495 
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 94
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 H   -9.37787936  -5.09478647  -2.23406639
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 94
 Energy -2441.19466205 
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 C    1.54201958   0.00000000   0.00000000
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 94
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 94
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 94
 Energy -2441.194409594 
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 H   -2.28263713  -6.25017898  -0.95875740
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 H   -4.04519919  -8.14295644  -4.34998893
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 H   -3.43676686  -4.86964273  -6.09218161
 H   -2.31143571  -6.25384245  -6.19437113
 H   -4.07666063  -6.53154122  -6.27588544
 H   -9.95345976  -4.21231412  -0.32988573
 H   -9.44935513  -5.11135926  -2.60238820
 H   -7.51898097  -4.22225209  -3.89326678
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 H   -8.52128028  -2.41645897   0.64001597
 94
 Energy -2441.194276054 
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 C    1.54207089   0.00000000   0.00000000
 C    2.02360511   1.47655311   0.00000000
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 C    1.52571746  -2.19317953  -1.27697670
 C    2.20333589  -0.82757242  -1.09846644
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 C   -2.22513289  -3.36385391  -1.80643546
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 C   -4.47910950  -4.36571459  -2.79271849
 C   -4.68245398  -5.58267089  -3.77791281
 C   -3.31354305  -6.10680680  -4.26339701
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 O    2.80841712  -1.15796830   1.79180564
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 H    0.07015874  -0.21675644  -2.63385868
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 H   -3.54070172  -5.21379957  -0.23064180
 H   -3.10353923  -7.80425061  -2.85582631
 H   -4.03397465  -8.15568405  -4.33734916
 H   -2.25659250  -8.00185598  -4.40964256
 H   -3.42652148  -4.88685977  -6.08933838
 H   -2.29901498  -6.26963366  -6.18511469
 H   -4.06369010  -6.55029862  -6.26909936
 H   -9.99764934  -4.23487143  -0.43421660
 H   -9.46172226  -5.10901750  -2.70916509
 H   -7.50913895  -4.21106551  -3.95959701
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 94
 Energy -2441.194141209 
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 C    1.54207932   0.00000000   0.00000000
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 C    2.20354830  -0.82754524  -1.09833183
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 C   -2.83366630  -2.63287511  -0.60153837
 C   -2.22366128  -3.36591651  -1.80605627
 C   -0.66591904  -3.56979658  -1.63712465
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 C   -3.30439498  -6.11709849  -4.25766324
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 H   -3.41561425  -4.90157690  -6.08686570
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 H   -4.04945565  -6.56663362  -6.26406099
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 H   -9.47088631  -5.10525250  -2.81583505
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 94
 Energy -2441.193994143 
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 C    1.54202164   0.00000000   0.00000000
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 C   -0.08127786  -4.32115578  -2.86430938
 C   -4.47299552  -4.37642664  -2.79940873
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 O    2.80802397  -1.15950445   1.79081526
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 H   -3.08099171  -7.81798470  -2.83527628
 H   -4.01265991  -8.17834667  -4.31387817
 H   -2.23560850  -8.02069939  -4.38934510
 H   -3.41145036  -4.91489158  -6.08086075
 H   -2.27657671  -6.29191074  -6.16796498
 H   -4.03940147  -6.58249793  -6.25606880
 H  -10.08858759  -4.26255923  -0.64480643
 H   -9.47757171  -5.10209952  -2.91396329
 H   -7.47832336  -4.19411000  -4.07968264
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 H   -8.68889673  -2.51384552   0.44991841
 94
 Energy -2441.193823588 
 C    0.07737773   1.99549371   1.64221465
 C   -0.21684744   0.48605402   1.44556995
 C    0.00000000   0.00000000   0.00000000
 C    1.54209429   0.00000000   0.00000000
 C    2.02345188   1.47663148   0.00000000
 C    1.55779034   2.25142771   1.24837692
 C   -0.63518653  -1.38306386  -0.27383143
 C   -0.00526029  -2.10725633  -1.50973703
 C    1.52755670  -2.19452456  -1.27474758
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 H   -2.26904044  -6.31114299  -6.15660719
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 94
 Energy -2441.193667491 
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 94
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 94
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 94
 Energy -2441.192908354 
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 94
 Energy -2441.192604488 
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 94
 Energy -2441.192256992 
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 94
 Energy -2441.191872357 
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 C    1.53014992  -2.19783448  -1.26782676
 C    2.20267428  -0.82844288  -1.09787160
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 94
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 94
 Energy -2441.190961656 
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 94
 Energy -2441.190442299 
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 H   -3.43369443  -5.07408863  -6.00402550
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 H   -4.00365294  -6.76729895  -6.13576100
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 H   -7.15671817  -4.35404066  -4.26860971
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 94
 Energy -2441.189850502 
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 C    1.54218113   0.00000000   0.00000000
 C    2.02427249   1.47633270   0.00000000
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 C    2.20237319  -0.82826936  -1.09806087
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 C   -2.22163405  -3.39222026  -1.78630039
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 C   -3.25158399  -6.24840925  -4.14271162
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 H   -3.89810622  -8.32233021  -4.14692054
 H   -2.12862646  -8.10754805  -4.26054276
 H   -3.44129955  -5.08063362  -5.99804037
 H   -2.25394559  -6.41260253  -6.07240803
 H   -4.00412623  -6.77639991  -6.12874754
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 H   -9.35766375  -5.22262394  -3.58708295
 H   -7.12559989  -4.39053632  -4.24502655
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 94
 Energy -2441.18919925 
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 C    1.54224033   0.00000000   0.00000000
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 94
 Energy -2441.188525432 
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 H   -3.87613216  -8.33702109  -4.13819417
 H   -2.10896909  -8.10791638  -4.26088901
 H   -3.45610767  -5.08981734  -5.98875949
 H   -2.25700113  -6.41073695  -6.07036779
 H   -4.00395303  -6.79073022  -6.11901255
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 H   -9.31511355  -5.28959284  -3.58860690
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 94
 Energy -2441.18767206 
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 C    1.54228280   0.00000000   0.00000000
 C    2.02457162   1.47626903   0.00000000
 C    1.56056843   2.25042270   1.24929065
 C   -0.63654910  -1.38336243  -0.27225142
 C   -0.00268070  -2.11600379  -1.49979548
 C    1.53105123  -2.19834676  -1.26456181
 C    2.20244207  -0.82824151  -1.09798903
 C   -2.16418813  -1.26475632  -0.40781801
 C   -2.84110808  -2.62963466  -0.60508251
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 94
 Energy -2441.186920415 
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 94
 Energy -2441.186030109 
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 94
 Energy -2441.185114838 
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 H   -0.68694926   2.76607727  -0.28772986
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 H   -2.21355693  -6.21011146  -0.80369765
 H   -3.53771180  -5.22038409  -0.15556917
 H   -2.88352336  -7.91317455  -2.69336141
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 H   -2.07901386  -8.10027914  -4.27162476
 H   -3.49143716  -5.09545530  -5.97378620
 H   -2.27091413  -6.39537148  -6.07293135
 H   -4.01158034  -6.80513561  -6.10550552
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 H   -9.23224574  -5.44602723  -3.49090304
 H   -6.97229058  -4.64776926  -3.98185134
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 94
 Energy -2441.184123338 
 C    0.07912127   1.99613240   1.64155078
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 C    0.00000000   0.00000000   0.00000000
 C    1.54230908   0.00000000   0.00000000
 C    2.02471678   1.47622746   0.00000000
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 C   -0.00361089  -2.11386833  -1.50115853
 C    1.53028267  -2.19767806  -1.26536999
 C    2.20217041  -0.82788706  -1.09840017
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 C   -2.84299065  -2.62765695  -0.60527751
 C   -2.22896744  -3.39133356  -1.78875385
 C   -0.66397268  -3.58020151  -1.60738316
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 C   -0.07101731  -4.33414418  -2.83076353
 C   -4.49262827  -4.51146834  -2.73218746
 C   -4.62116756  -5.82549356  -3.61141651
 C   -3.24126583  -6.26807691  -4.12708002
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 O    0.76529169  -0.28985859   2.21589647
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 O    2.80881893  -1.15917257   1.79071508
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 H   -2.20906463  -6.20764518  -0.80406990
 H   -3.53616138  -5.22195809  -0.15569258
 H   -2.87465753  -7.91450192  -2.69597714
 H   -3.83518837  -8.35728728  -4.13281851
 H   -2.07386267  -8.09725754  -4.27666318
 H   -3.50089069  -5.09441286  -5.97107008
 H   -2.27618718  -6.38994968  -6.07528611
 H   -4.01554264  -6.80572450  -6.10346480
 H  -10.78683168  -4.10305945  -2.07269748
 H   -9.21398833  -5.48481340  -3.44928714
 H   -6.95386363  -4.69179761  -3.92051135
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 94
 Energy -2441.18311985 
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 C    1.54228509   0.00000000   0.00000000
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 94
 Energy -2441.182126806 
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 H   -2.06927082  -8.09136557  -4.28527957
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 H   -2.29169795  -6.37895511  -6.07870035
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 H   -9.18367827  -5.55686966  -3.34430517
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 94
 Energy -2441.181054223 
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 C    1.54222668   0.00000000   0.00000000
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 C   -0.00452643  -2.11269789  -1.50194716
 C    1.52946323  -2.19743305  -1.26597454
 C    2.20187183  -0.82790206  -1.09859007
 C   -2.16479812  -1.26265203  -0.40661324
 C   -2.84352152  -2.62662441  -0.60262312
 C   -2.23209428  -3.38898831  -1.78804947
 C   -0.66600545  -3.57829485  -1.61002575
 C   -3.00005782  -4.68423721  -2.20344302
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 H   -3.53585848  -5.08926444  -5.95873093
 H   -2.30110765  -6.37361346  -6.08007608
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 94
 Energy -2441.180062223 
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 C    1.54221620   0.00000000   0.00000000
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 94
 Energy -2441.179067122 
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 94
 Energy -2441.178080818 
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 94
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 94
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 94
 Energy -2441.174555679 
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 H   -2.10357360  -8.06981474  -4.31897457
 H   -3.62274555  -5.06219760  -5.93199566
 H   -2.38931483  -6.34277426  -6.09366670
 H   -4.12382310  -6.77735279  -6.06618803
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 94
 Energy -2441.173849777 
 C    0.07567993   1.99734962   1.63839773
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 C    1.54175367   0.00000000   0.00000000
 C    2.02393122   1.47632357   0.00000000
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 C   -0.00730573  -2.10941106  -1.50577387
 C    1.52690401  -2.19532402  -1.27221319
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 C   -2.84136724  -2.62527025  -0.59110039
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 C   -0.09482142  -4.32060815  -2.85520111
 C   -4.51410307  -4.49886224  -2.68415295
 C   -4.65185268  -5.83501285  -3.52958462
 C   -3.29129151  -6.25209906  -4.10962336
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 O    2.80639996  -1.16073708   1.79116697
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 94
 Energy -2441.173193525 
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 94
 Energy -2441.172608698 
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 94
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 94
 Energy -2441.171692359 
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 94
 Energy -2441.171358242 
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 94
 Energy -2441.171092874 
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 C    2.19950623  -0.82691161  -1.10093086
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 C   -2.23400883  -3.37987448  -1.77306149
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 C   -4.68852344  -5.80598603  -3.49503449
 C   -3.33701578  -6.23655697  -4.09845837
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 H   -3.69199130  -5.03771614  -5.91274463
 H   -2.47468137  -6.33019282  -6.09505045
 H   -4.21308799  -6.74647859  -6.04039621
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 H   -9.18046179  -5.61726347  -2.11396496
 H   -6.89122978  -4.97818251  -2.48409936
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 94
 Energy -2441.170980083 
 C    0.07446226   1.99933129   1.63615857
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 C    0.00000000   0.00000000   0.00000000
 C    1.54134704   0.00000000   0.00000000
 C    2.02383584   1.47625577   0.00000000
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 C    1.52525161  -2.19484530  -1.27530099
 C    2.19944599  -0.82667424  -1.10109640
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 C   -2.23405072  -3.37745903  -1.77461219
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 C   -4.69523198  -5.79665745  -3.49567073
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 H   -2.48574835  -6.33327751  -6.09779504
 H   -4.22747719  -6.73344111  -6.04055517
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 H   -9.19031425  -5.58168694  -2.02445381
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 94
 Energy -2441.170929307 
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 94
 Energy -2441.171002874 
 C    0.07429311   1.99970731   1.63589964
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 C    2.19920302  -0.82666041  -1.10128327
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 94
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 C    1.54127618   0.00000000   0.00000000
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 H   -4.24897836  -6.71175873  -6.04697213
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 H   -6.90414243  -4.81723433  -2.00195124
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 94
 Energy -2441.171494168 
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 94
 Energy -2441.171985039 
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 94
 Energy -2441.17265011 
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 H   -2.21764817  -6.22701325  -0.85842029
 H   -3.48513929  -5.21637314  -0.13612486
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 H   -2.24678603  -8.05602304  -4.34856735
 H   -3.68181711  -5.00082062  -5.93717968
 H   -2.49614867  -6.32379651  -6.11340485
 H   -4.24491963  -6.69555438  -6.06581196
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 H   -9.24052174  -5.28127585  -1.46278895
 H   -6.91503067  -4.59798762  -1.62415021
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 94
 Energy -2441.173348988 
 C    0.07542818   2.00046906   1.63581194
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 C    1.54135443   0.00000000   0.00000000
 C    2.02434503   1.47626694   0.00000000
 C    1.55722211   2.25366216   1.24630631
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 C    1.52353784  -2.19387490  -1.27941896
 C    2.19933304  -0.82670142  -1.10141756
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 C   -2.23468046  -3.37534153  -1.77635236
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 C   -4.72287968  -5.73959399  -3.54537349
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 O    2.80293453  -1.16281975   1.79268224
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 H   -2.24884732  -8.05383783  -4.35148654
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 H   -4.23785123  -6.69013054  -6.07582866
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 94
 Energy -2441.17419978 
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 C    1.54141144   0.00000000   0.00000000
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 94
 Energy -2441.175072742 
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 94
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 94
 Energy -2441.176936991 
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 94
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 94
 Energy -2441.178783292 
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 H   -2.42050806  -6.28952953  -6.15273175
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 H   -6.89219473  -3.96323850  -1.04294448
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 94
 Energy -2441.179707388 
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 C    1.54182569   0.00000000   0.00000000
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 H   -9.20404347  -4.71110236  -0.84125048
 H   -6.88338074  -3.87149551  -0.99372172
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 94
 Energy -2441.180541948 
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 94
 Energy -2441.181395178 
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 94
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 94
 Energy -2441.182981673 
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 94
 Energy -2441.183699589 
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 94
 Energy -2441.18442078 
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 94
 Energy -2441.185099151 
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 94
 Energy -2441.185770526 
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 94
 Energy -2441.186396826 
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 94
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 C   -4.71756367  -5.50402450  -3.83725596
 C   -3.35166734  -6.02564427  -4.33877471
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 H   -3.46495759  -4.77105544  -6.14278960
 H   -2.34363411  -6.15523797  -6.26687564
 H   -4.10949511  -6.42797086  -6.35002006
 H  -10.65939737  -4.23926554  -2.19712542
 H   -9.03150878  -4.01815137  -0.32627107
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 94
 Energy -2441.187599619 
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 C    1.54180748   0.00000000   0.00000000
 C    2.02330231   1.47662053   0.00000000
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 94
 Energy -2441.188151363 
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 94
 Energy -2441.188706571 
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 C    2.20494763  -0.82902082  -1.09699075
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 C   -3.35472064  -5.98714922  -4.37914938
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 H   -4.10289765  -8.02330754  -4.50408660
 H   -2.32327184  -7.89215165  -4.57732439
 H   -3.44766613  -4.71798020  -6.17397440
 H   -2.33692030  -6.11030894  -6.30262680
 H   -4.10451335  -6.36798576  -6.39748596
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 H   -8.98107676  -3.82634287  -0.20280936
 H   -6.75920202  -2.80784279  -0.71053189
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 H   -9.95234522  -3.80539199  -4.40814215
 94
 Energy -2441.189213864 
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 C    1.54200184   0.00000000   0.00000000
 C    2.02191824   1.47725132   0.00000000
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 C    1.52066555  -2.19073215  -1.28456098
 C    2.20514890  -0.82906392  -1.09691136
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 C   -3.35482635  -5.97744446  -4.38956220
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 O    2.81024519  -1.15476836   1.79209676
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 H   -0.69732965   2.76304416  -0.28715307
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 H   -3.44140554  -4.70508082  -6.18232297
 H   -2.33357941  -6.09969494  -6.31128526
 H   -4.10154047  -6.35321577  -6.40992905
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 H   -8.96480165  -3.76287214  -0.16214488
 H   -6.75617323  -2.73241247  -0.70354140
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 94
 Energy -2441.189681463 
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 C    1.54205065   0.00000000   0.00000000
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 94
 Energy -2441.190152595 
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 C    2.20559029  -0.82901733  -1.09673658
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 H   -3.17853870  -7.70380938  -3.05534022
 H   -4.11003826  -7.99257064  -4.54933349
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 H   -3.43480007  -4.68039669  -6.19649443
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 94
 Energy -2441.190583858 
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 H   -2.32893246  -6.06863645  -6.33485688
 H   -4.09733632  -6.31661369  -6.43942075
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 H   -6.75994893  -2.50515638  -0.68616646
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 94
 Energy -2441.191005551 
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 94
 Energy -2441.191384204 
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 94
 Energy -2441.191730893 
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 C    1.51995777  -2.18835811  -1.28846968
 C    2.20593429  -0.82816774  -1.09714288
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 C   -2.23619457  -3.31455384  -1.85968386
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 C   -3.35034611  -5.94497855  -4.42752806
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 94
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 94
 Energy -2441.192381964 
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 94
 Energy -2441.192656026 
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 94
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 94
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 94
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 94
 Energy -2441.193466137 
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 H    1.64654373   1.94591030  -0.92646626
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 H   -0.69015721   2.76319900  -0.29326636
 H   -1.93774634   2.54643311   0.96022630
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 H   -4.00282463  -6.39116728  -1.57915473
 H   -2.30956379  -6.23512268  -1.07952502
 H   -3.55865716  -5.21883614  -0.33124491
 H   -3.13970855  -7.72597210  -3.04634824
 H   -4.06586906  -8.02209374  -4.54243753
 H   -2.28719671  -7.87599785  -4.60250058
 H   -3.43668097  -4.69767951  -6.17898483
 H   -2.31565388  -6.08121312  -6.31958407
 H   -4.08144944  -6.35052539  -6.41729476
 H  -10.14937013  -4.51726733  -0.91006283
 H   -8.72931336  -2.95527542   0.41560671
 H   -6.73361553  -1.88837342  -0.63534912
 H   -7.57390306  -3.95074087  -4.32577397
 H   -9.56990694  -5.01285931  -3.28529014
 94
 Energy -2441.193630012 
 C    0.07579923   1.99668907   1.63826576
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 C    0.00000000   0.00000000   0.00000000
 C    1.54233221   0.00000000   0.00000000
 C    2.02423104   1.47646169   0.00000000
 C    1.55676300   2.25234028   1.24684117
 C   -0.63437720  -1.38210049  -0.28141185
 C   -0.00878567  -2.08586310  -1.53216366
 C    1.52180788  -2.18727621  -1.28922715
 C    2.20559581  -0.82648056  -1.09840628
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 C   -2.83334331  -2.63076031  -0.61650939
 C   -2.23260726  -3.33168414  -1.84398203
 C   -0.67474290  -3.54547681  -1.68867450
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 C   -0.89882872  -5.49255771  -3.41401809
 C   -0.10151234  -4.25969170  -2.94826013
 C   -4.49433311  -4.29466255  -2.85642845
 C   -4.70156804  -5.47751947  -3.88357389
 C   -3.33436220  -5.98997527  -4.38504946
 C   -2.34169459  -5.06413314  -3.64980181
 C   -0.12981649   2.35940373   3.12026387
 C   -0.88810224   2.84309832   0.78533144
 O    0.76453727  -0.28847143   2.21641653
 C    1.83284704  -0.57259409   1.39821437
 O    2.80847090  -1.15713759   1.79239353
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 C   -3.22167576  -5.67277148  -1.27012259
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 C   -3.19711227  -7.49982097  -4.10507114
 C   -3.29560514  -5.77137321  -5.91455540
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 O   -3.95704789  -2.44985490  -4.33299023
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 C   -6.02408087  -0.88754482  -3.47326632
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 H    1.64733532   1.94569541  -0.92659075
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 H    1.72156130  -2.78306352  -0.38431610
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 H   -0.83368684  -6.31851867  -2.68488435
 H   -0.45169053  -5.87027574  -4.35099980
 H   -0.08281233  -3.55351488  -3.79449225
 H    0.94474566  -4.54940767  -2.75169043
 H   -5.24591870  -4.42232245  -2.06420400
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 H   -1.19081030   2.25863878   3.40637078
 H    0.46871076   1.70072246   3.76777399
 H   -0.79139798   3.90544392   1.06344114
 H   -0.68888535   2.76342477  -0.29400185
 H   -1.93699120   2.54721687   0.95909658
 H   -1.25027493  -1.20402383  -3.16941692
 H    0.07046537  -0.17981947  -2.61887387
 H    0.42412021  -1.58032069  -3.62843706
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 H   -0.80751717  -4.11039622   0.46367279
 H   -3.99844194  -6.39589799  -1.56542897
 H   -2.30360048  -6.23918109  -1.07174922
 H   -3.55020239  -5.22197895  -0.32053078
 H   -3.13707994  -7.73261924  -3.03294118
 H   -4.06346114  -8.03231947  -4.52818463
 H   -2.28501840  -7.88418231  -4.58921089
 H   -3.43943706  -4.70978031  -6.17029480
 H   -2.31824265  -6.09341081  -6.31019231
 H   -4.08418283  -6.36313563  -6.40506657
 H  -10.11419035  -4.49841866  -0.80272819
 H   -8.68988417  -2.89818322   0.47213478
 H   -6.71122596  -1.84507494  -0.62304987
 H   -7.57667798  -3.99626518  -4.25684255
 H   -9.55587070  -5.04483321  -3.17189812
 94
 Energy -2441.193809138 
 C    0.07599825   1.99705030   1.63820744
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 C    1.54242393   0.00000000   0.00000000
 C    2.02431637   1.47644275   0.00000000
 C    1.55700623   2.25239966   1.24684003
 C   -0.63402661  -1.38256452  -0.28016757
 C   -0.00907000  -2.08708721  -1.53078672
 C    1.52182127  -2.18725257  -1.28916602
 C    2.20508913  -0.82613498  -1.09897273
 C   -2.16427165  -1.27027752  -0.38189962
 C   -2.83198563  -2.63340374  -0.61094922
 C   -2.23241098  -3.33569560  -1.83817189
 C   -0.67406774  -3.54740328  -1.68524094
 C   -3.02838711  -4.58162875  -2.33393044
 C   -0.89819246  -5.49646180  -3.40803920
 C   -0.10255661  -4.26135670  -2.94564570
 C   -4.49464377  -4.30429044  -2.84299591
 C   -4.70261627  -5.48746309  -3.86925605
 C   -3.33591691  -5.99981499  -4.37233241
 C   -2.34274179  -5.07140331  -3.64093905
 C   -0.12951927   2.35954487   3.12031840
 C   -0.88770131   2.84371108   0.78538309
 O    0.76419035  -0.28811424   2.21619239
 C    1.83253956  -0.57305669   1.39819213
 O    2.80692060  -1.15923111   1.79293687
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 C   -3.19657398  -7.50896219  -4.08948932
 C   -3.30035173  -5.78450045  -5.90238172
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 C   -6.02823000  -0.89904505  -3.46690431
 O   -7.01856110  -0.23774346  -3.25152846
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 H   -0.45273365  -5.87424086  -4.34570126
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 H    0.94480158  -4.54873423  -2.75160630
 H   -5.24349186  -4.43228493  -2.04827725
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 H    0.46884002   1.70054842   3.76767227
 H   -0.79056956   3.90606111   1.06332656
 H   -0.68860217   2.76381948  -0.29396585
 H   -1.93667311   2.54823223   0.95933321
 H   -1.25283604  -1.20831244  -3.16787576
 H    0.06700866  -0.18192810  -2.61914222
 H    0.42171986  -1.58280562  -3.62783084
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 H   -2.29672310  -6.24301371  -1.06148442
 H   -3.54241199  -5.22611453  -0.30827521
 H   -3.13417021  -7.73965914  -3.01704827
 H   -4.06311204  -8.04329229  -4.50992281
 H   -2.28500778  -7.89328828  -4.57467148
 H   -3.44588243  -4.72361578  -6.15999045
 H   -2.32343354  -6.10637554  -6.29923138
 H   -4.08929055  -6.37812135  -6.39003212
 H  -10.07829313  -4.47833987  -0.69289704
 H   -8.64804469  -2.84551601   0.53316008
 H   -6.68654662  -1.80637183  -0.60476756
 H   -7.58040132  -4.03651878  -4.18399015
 H   -9.54281789  -5.07063220  -3.05641976
 94
 Energy -2441.193930052 
 C    0.07602532   1.99774468   1.63734773
 C   -0.21732398   0.48725491   1.44463741
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 C    1.54229011   0.00000000   0.00000000
 C    2.02464545   1.47631897   0.00000000
 C    1.55725808   2.25265634   1.24656380
 C   -0.63357686  -1.38295129  -0.27918167
 C   -0.00895120  -2.08811459  -1.52965931
 C    1.52217370  -2.18745883  -1.28918279
 C    2.20524448  -0.82629037  -1.09864119
 C   -2.16389635  -1.27136062  -0.38031824
 C   -2.83071273  -2.63524598  -0.60682359
 C   -2.23180561  -3.33891407  -1.83360688
 C   -0.67310664  -3.54911617  -1.68237530
 C   -3.02703572  -4.58668006  -2.32557888
 C   -0.89834520  -5.50047567  -3.40294813
 C   -0.10279698  -4.26416978  -2.94276344
 C   -4.49473311  -4.31175792  -2.83159703
 C   -4.70351659  -5.49531085  -3.85691524
 C   -3.33736966  -6.00805217  -4.36119748
 C   -2.34365877  -5.07741621  -3.63328262
 C   -0.13024733   2.36119157   3.11907289
 C   -0.88695399   2.84416905   0.78340980
 O    0.76415104  -0.28738204   2.21643533
 C    1.83202736  -0.57325015   1.39821863
 O    2.80613389  -1.16030515   1.79235502
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 C   -0.21909621  -1.22951877  -2.80307544
 H   -0.39660863  -2.02114185   0.59306751
 C   -0.31576863  -4.43218875  -0.46240586
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 C   -3.21099872  -5.68155391  -1.24782591
 H   -2.29707998  -4.16823534  -4.26200514
 C   -3.19690789  -7.51664657  -4.07551592
 C   -3.30427694  -5.79601944  -5.89174418
 O   -5.78049725  -5.93400268  -4.18008801
 C   -4.72958886  -2.97967020  -3.50446098
 O   -3.97873855  -2.48033062  -4.33070709
 N   -5.89530732  -2.26195192  -3.10749051
 C   -7.01031701  -2.86659820  -2.41561635
 C   -6.02881406  -0.90682146  -3.46275517
 O   -7.01813326  -0.24378788  -3.24830117
 C   -4.79009211  -0.20723914  -4.03497774
 O   -3.90689692   0.26044540  -3.38679793
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 C   -9.18784957  -4.00800356  -1.10656315
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 C   -7.81445676  -3.79072189  -3.08761599
 C   -8.89989848  -4.36574527  -2.42503466
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 H    1.71776493   3.33520974   1.10295637
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 H    3.25901998  -0.98828862  -0.81136286
 H    2.20895512  -0.24881334  -2.03846857
 H   -2.43321067  -0.59226484  -1.20936383
 H   -2.56841945  -0.81588127   0.54075790
 H   -3.91632488  -2.48771797  -0.75699661
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 H   -0.82711084  -6.32520682  -2.67298457
 H   -0.45402662  -5.87810703  -4.34129673
 H   -0.08972491  -3.55967485  -3.79048694
 H    0.94511049  -4.55043168  -2.74996955
 H   -5.24092380  -4.43982503  -2.03451052
 H    0.17314233   3.40480680   3.30534295
 H   -1.19146090   2.26114813   3.40461260
 H    0.46752355   1.70239784   3.76718199
 H   -0.78992485   3.90659896   1.06107793
 H   -0.68695350   2.76389094  -0.29573862
 H   -1.93610379   2.54887526   0.95661069
 H   -1.25659597  -1.20626091  -3.16155308
 H    0.07001340  -0.18470183  -2.62055719
 H    0.41358405  -1.58785321  -3.62994489
 H   -0.60101445  -5.47774173  -0.63598836
 H    0.76923471  -4.43604043  -0.28751685
 H   -0.80172554  -4.11395804   0.47050458
 H   -3.98841845  -6.40638938  -1.53702655
 H   -2.29118283  -6.24640108  -1.05329297
 H   -3.53488631  -5.22887336  -0.29755405
 H   -3.13326282  -7.74541778  -3.00275035
 H   -4.06368967  -8.05185862  -4.49415364
 H   -2.28568774  -7.90137470  -4.56102412
 H   -3.44975262  -4.73560026  -6.15123854
 H   -2.32826943  -6.11938930  -6.28958857
 H   -4.09442967  -6.39022868  -6.37669909
 H  -10.04175665  -4.45590591  -0.59226707
 H   -8.61265154  -2.78596311   0.58440746
 H   -6.67291340  -1.75514767  -0.59047463
 H   -7.57626763  -4.07509717  -4.11334275
 H   -9.52259796  -5.09556796  -2.94739465
 94
 Energy -2441.19406604 
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 94
 Energy -2441.194202757 
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 94
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 H   -0.10243705  -3.57012608  -3.78414690
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 H   -0.78925601   3.90722032   1.05870647
 H   -0.68511707   2.76399149  -0.29756094
 H   -1.93544653   2.54958936   0.95380742
 H   -1.25697478  -1.22543603  -3.16557467
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 H    0.41874932  -1.59576129  -3.62474030
 H   -0.59736883  -5.47956522  -0.61796564
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 H   -0.78242532  -4.10981578   0.48389841
 H   -3.98207730  -6.41596415  -1.49440351
 H   -2.27966707  -6.25925501  -1.02942635
 H   -3.51258424  -5.23650487  -0.26274331
 H   -3.14072802  -7.76033913  -2.95992466
 H   -4.07546921  -8.07378679  -4.44724942
 H   -2.29786399  -7.92361227  -4.51997065
 H   -3.46814232  -4.76635429  -6.12218239
 H   -2.34925817  -6.15281352  -6.25940984
 H   -4.11620468  -6.42122284  -6.33598542
 H   -9.90550846  -4.30069443  -0.22568933
 H   -8.45559611  -2.52943117   0.76322959
 H   -6.56890879  -1.58051100  -0.56118477
 H   -7.56951845  -4.18046840  -3.85296253
 H   -9.46140629  -5.12084463  -2.53978984
 94
 Energy -2441.194509021 
 C    0.07631556   1.99768059   1.63789007
 C   -0.21732848   0.48742998   1.44468220
 C    0.00000000   0.00000000   0.00000000
 C    1.54224600   0.00000000   0.00000000
 C    2.02440603   1.47634188   0.00000000
 C    1.55762374   2.25223476   1.24715593
 C   -0.63304042  -1.38350527  -0.27674809
 C   -0.00974656  -2.09197205  -1.52630709
 C    1.52173167  -2.18861400  -1.28716681
 C    2.20352029  -0.82631246  -1.09968686
 C   -2.16340993  -1.27381539  -0.37500415
 C   -2.82575095  -2.64155694  -0.58758497
 C   -2.23212825  -3.34854834  -1.81478894
 C   -0.67223217  -3.55455855  -1.67363946
 C   -3.02695609  -4.60047771  -2.29509130
 C   -0.90646732  -5.51101538  -3.38879608
 C   -0.11131859  -4.27023092  -2.93814353
 C   -4.49909669  -4.32864448  -2.78674272
 C   -4.71750887  -5.50928847  -3.81123060
 C   -3.35581575  -6.02781143  -4.32300401
 C   -2.35548017  -5.09381161  -3.60740562
 C   -0.13012900   2.36065731   3.11975932
 C   -0.88646975   2.84448675   0.78416853
 O    0.76378436  -0.28763090   2.21626523
 C    1.83156481  -0.57398153   1.39799987
 O    2.80510039  -1.16204647   1.79197460
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 C   -3.21495458  -7.53510009  -4.03004505
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 O   -4.01675575  -2.52975452  -4.33167641
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 H   -3.91333100  -2.50163036  -0.72914406
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 H   -0.82535878  -6.33384660  -2.65771006
 H   -0.46885297  -5.88874718  -4.33022544
 H   -0.10934756  -3.56727610  -3.78722303
 H    0.93957052  -4.55202787  -2.75502981
 H   -5.23481414  -4.45432762  -1.98011402
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 H   -1.19138572   2.26053831   3.40512191
 H    0.46753357   1.70164921   3.76772398
 H   -0.78908440   3.90687701   1.06184177
 H   -0.68666137   2.76416637  -0.29501818
 H   -1.93569400   2.54955164   0.95761650
 H   -1.25912124  -1.22360373  -3.16446754
 H    0.05820978  -0.19061114  -2.62178436
 H    0.41599034  -1.59433152  -3.62568299
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 H   -0.77486166  -4.10977624   0.48279796
 H   -3.98338166  -6.41492246  -1.48951330
 H   -2.27918871  -6.26118357  -1.03039411
 H   -3.50795154  -5.23732884  -0.25838200
 H   -3.14403552  -7.75861047  -2.95671650
 H   -4.08470209  -8.07197381  -4.44039810
 H   -2.30731072  -7.92285927  -4.51988630
 H   -3.47956470  -4.76517342  -6.11844705
 H   -2.36120760  -6.15192498  -6.25813333
 H   -4.12840883  -6.41992490  -6.33047666
 H   -9.87024713  -4.25676705  -0.13858315
 H   -8.41777784  -2.46239183   0.80379824
 H   -6.54718210  -1.53149179  -0.55518421
 H   -7.56685865  -4.19725802  -3.78839492
 H   -9.44401138  -5.11834390  -2.44108735
 94
 Energy -2441.194600573 
 C    0.07594661   1.99846550   1.63677526
 C   -0.21749447   0.48806801   1.44442048
 C    0.00000000   0.00000000   0.00000000
 C    1.54208291   0.00000000   0.00000000
 C    2.02452000   1.47628790   0.00000000
 C    1.55750989   2.25258753   1.24675776
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 C   -0.00924008  -2.09264133  -1.52552532
 C    1.52207300  -2.18936607  -1.28544183
 C    2.20377341  -0.82688757  -1.09905856
 C   -2.16313991  -1.27381605  -0.37481637
 C   -2.82461192  -2.64206150  -0.58538099
 C   -2.23172784  -3.34928874  -1.81274355
 C   -0.67176946  -3.55527384  -1.67364415
 C   -3.02665602  -4.60179154  -2.29082262
 C   -0.90819028  -5.51209181  -3.38819985
 C   -0.11347623  -4.26989442  -2.94003405
 C   -4.49948115  -4.32962074  -2.77937781
 C   -4.72080331  -5.51001792  -3.80311258
 C   -3.36039298  -6.03045361  -4.31675770
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 C   -0.13139025   2.36236979   3.11824277
 C   -0.88629847   2.84477031   0.78187289
 O    0.76363441  -0.28652497   2.21659017
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 H   -4.09090838  -8.07419906  -4.43065281
 H   -2.31356778  -7.92645970  -4.51252840
 H   -3.48554633  -4.77005100  -6.11354775
 H   -2.36926905  -6.15857458  -6.25334264
 H   -4.13692995  -6.42422422  -6.32238148
 H   -9.83561154  -4.21101056  -0.06066647
 H   -8.38161321  -2.39455243   0.83630318
 H   -6.52470073  -1.48406723  -0.55428392
 H   -7.56053052  -4.21375779  -3.72896463
 H   -9.42419940  -5.11467256  -2.34968070
 94
 Energy -2441.194668563 
 C    0.07534182   1.99876244   1.63626316
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 C    1.54201555   0.00000000   0.00000000
 C    2.02451144   1.47624546   0.00000000
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 C   -0.63272530  -1.38370655  -0.27581393
 C   -0.00926347  -2.09380076  -1.52462505
 C    1.52212307  -2.18976005  -1.28462193
 C    2.20312619  -0.82674754  -1.09951629
 C   -2.16298240  -1.27431732  -0.37379396
 C   -2.82356225  -2.64341553  -0.58080191
 C   -2.23158128  -3.35171546  -1.80796412
 C   -0.67148405  -3.55669367  -1.67063105
 C   -3.02666725  -4.60466779  -2.28382085
 C   -0.91000581  -5.51514811  -3.38366184
 C   -0.11498616  -4.27237064  -2.93722315
 C   -4.50006653  -4.33236196  -2.76996408
 C   -4.72359836  -5.51290880  -3.79267494
 C   -3.36426031  -6.03519330  -4.30752636
 C   -2.36042809  -5.10007440  -3.59771689
 C   -0.13229610   2.36315741   3.11760233
 C   -0.88706002   2.84447829   0.78098417
 O    0.76375863  -0.28594422   2.21663084
 C    1.83137359  -0.57331151   1.39825287
 O    2.80457935  -1.16168547   1.79248410
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 C   -0.29946902  -4.43738870  -0.45360959
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 C   -3.19531831  -5.69557939  -1.19915226
 H   -2.32539110  -4.19457305  -4.23232400
 C   -3.22450174  -7.54190916  -4.01082185
 C   -3.34653226  -5.83627586  -5.84005003
 O   -5.80749336  -5.93809773  -4.11377983
 C   -4.74310761  -3.00793188  -3.45384763
 O   -4.02947691  -2.55030403  -4.33639936
 N   -5.86583978  -2.25080857  -3.01425740
 C   -6.92625450  -2.78246516  -2.19029928
 C   -6.00232845  -0.91572570  -3.44607427
 O   -6.96977850  -0.22543635  -3.22012636
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 O   -3.86568832   0.21665339  -3.54299514
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 H   -0.82511253  -6.33689967  -2.65180462
 H   -0.47499925  -5.89320466  -4.32616090
 H   -0.11837064  -3.56990528  -3.78672637
 H    0.93727340  -4.55211404  -2.75886971
 H   -5.23158041  -4.45491617  -1.95932683
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 H   -1.19376018   2.26312192   3.40223461
 H    0.46497873   1.70488560   3.76668017
 H   -0.79056931   3.90709127   1.05810340
 H   -0.68607773   2.76364341  -0.29794251
 H   -1.93630983   2.54909317   0.95356999
 H   -1.25784701  -1.23135393  -3.16641370
 H    0.05432180  -0.19297562  -2.62168880
 H    0.41970164  -1.59649048  -3.62323923
 H   -0.60047286  -5.48029815  -0.61424191
 H    0.78892148  -4.45270246  -0.30211782
 H   -0.76164082  -4.10745605   0.48735917
 H   -3.98445231  -6.41483671  -1.46994318
 H   -2.27634633  -6.26811534  -1.02402220
 H   -3.49490618  -5.23880002  -0.24299421
 H   -3.15078006  -7.76297790  -2.93721119
 H   -4.09597494  -8.07880842  -4.41751523
 H   -2.31873982  -7.93193447  -4.50235142
 H   -3.49143391  -4.77752403  -6.10597615
 H   -2.37603011  -6.16690959  -6.24530842
 H   -4.14394174  -6.43167062  -6.31136989
 H   -9.80358950  -4.17244168   0.00967638
 H   -8.36073844  -2.32535261   0.86097461
 H   -6.52140779  -1.42600680  -0.55350286
 H   -7.54195439  -4.23670472  -3.66634379
 H   -9.39426276  -5.12051814  -2.26214516
 94
 Energy -2441.19472892 
 C    0.07530631   1.99856193   1.63650939
 C   -0.21765446   0.48811754   1.44435598
 C    0.00000000   0.00000000   0.00000000
 C    1.54198627   0.00000000   0.00000000
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 94
 Energy -2441.194769314 
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 94
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 94
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 94
 Energy -2441.194848509 
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 94
 Energy -2441.194850603 
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