 36
 Energy -808.05934612
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 H    1.08049757  -0.38315876  -2.53764147
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 36
 Energy -808.05933973
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 C    3.58150187  -1.32089272   0.10687665
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 36
 Energy -808.05931188
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 C    3.58150381  -1.31814888   0.13901983
 C    2.19122338  -1.24418421   0.07927824
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 C   -1.84607872  -1.34782549  -1.09155847
 C    0.11267087  -0.87067906  -2.41839224
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 C   -1.73005350  -2.10736817  -3.38887272
 C   -1.09153566   3.51964614  -1.13611406
 C   -1.62850763   4.04614487   0.04217798
 C   -1.65427441   3.25905138   1.19425309
 C   -1.13858047   1.96029158   1.17098509
 C   -0.58015651   2.22128582  -1.15780247
 O   -0.43698200  -0.71620382   1.17982137
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 H    1.58930308  -2.15692161   0.09294212
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 H    1.11351115  -0.44154641  -2.51459276
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 H   -1.07817908   4.12109787  -2.04917146
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 36
 Energy -808.05926854
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 C    3.58163450  -1.31392376   0.17531916
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 C    0.12480258  -0.88789436  -2.41181784
 C   -0.44860766  -1.55326995  -3.50001056
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 C   -1.60899711   4.05390140   0.04536468
 C   -1.59671293   3.28206648   1.20813492
 C   -1.08948559   1.98022754   1.18320620
 C   -0.61481452   2.20731701  -1.16752121
 O   -0.44007229  -0.71480918   1.17950243
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 H    1.58812704  -2.15181480   0.17108586
 H   -3.41414163  -2.44672404  -2.08317166
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 H    1.12980935  -0.46752990  -2.50295976
 H    0.10913961  -1.63733739  -4.43670021
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 H   -2.00820324   5.07149899   0.06204275
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 36
 Energy -808.05919850
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 C   -1.54231075   3.30391031   1.21830988
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 O   -0.44355919  -0.71407181   1.17864340
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 H   -2.40893920  -1.21237184  -0.16886434
 H    1.15014757  -0.51085845  -2.48630521
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 36
 Energy -808.05911278
 C    0.00000000   0.00000000   0.00000000
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 C   -2.43831978  -1.96205951  -2.19693582
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 C   -0.42205920  -1.61481140  -3.47663610
 C   -1.71703839  -2.12562250  -3.38373050
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 C   -1.57401117   4.06765724   0.04681811
 C   -1.48937073   3.32518733   1.22594472
 C   -0.99664322   2.01824694   1.20010971
 C   -0.67893540   2.18116078  -1.18193373
 O   -0.44736247  -0.71349521   1.17744195
 H    1.82508653   2.11799366  -0.31632931
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 H   -3.45279058  -2.36132243  -2.11354770
 H   -2.43038108  -1.16227436  -0.18688938
 H    1.17092152  -0.56136712  -2.46732578
 H    0.15391764  -1.74134366  -4.39738836
 H   -2.16364102  -2.65225808  -4.23135674
 H   -1.24468910   4.05383484  -2.09135344
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 36
 Energy -808.05900741
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 C    3.58630123  -1.28689409   0.28888044
 C    2.19438513  -1.21938022   0.24971313
 C   -2.45138471  -1.93490471  -2.20508043
 C   -1.88284593  -1.25959491  -1.12584468
 C    0.16212756  -0.97886107  -2.37681449
 C   -0.41056679  -1.65159955  -3.46145195
 C   -1.71779089  -2.13185965  -3.37934065
 C   -1.19376157   3.47837676  -1.16433652
 C   -1.55815103   4.07394621   0.04577935
 C   -1.43939622   3.34542630   1.23078095
 C   -0.95292104   2.03631850   1.20546355
 C   -0.70848928   2.16911303  -1.18692113
 O   -0.45101197  -0.71320535   1.17612722
 H    1.82285991   2.10399931  -0.40117996
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 H    4.07786089  -2.24381681   0.48441191
 H    1.59231787  -2.11745403   0.41275328
 H   -3.47584858  -2.30961824  -2.13035635
 H   -2.45256028  -1.10661137  -0.20677345
 H    1.19109846  -0.61710935  -2.44620900
 H    0.17458329  -1.80358616  -4.37252330
 H   -2.16483694  -2.66020366  -4.22567959
 H   -1.29549847   4.03309787  -2.10109419
 H   -1.94254949   5.09720665   0.06307307
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 36
 Energy -808.05887979
 C    0.00000000   0.00000000   0.00000000
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 C    3.58861546  -1.27408060   0.32801820
 C    2.19628885  -1.20833839   0.29367701
 C   -2.46565384  -1.90460033  -2.21408834
 C   -1.89603699  -1.22652708  -1.13732504
 C    0.17355515  -1.01664457  -2.36138895
 C   -0.40000616  -1.69264143  -3.44375402
 C   -1.71986009  -2.13879723  -3.37384359
 C   -1.21414149   3.47001463  -1.16890767
 C   -1.54269591   4.08008335   0.04403601
 C   -1.39341970   3.36412239   1.23342135
 C   -0.91269206   2.05308949   1.20889536
 C   -0.73422821   2.15854639  -1.19047016
 O   -0.45507915  -0.71383853   1.17386848
 H    1.82059056   2.08650725  -0.48613466
 H    4.29642134   1.96863108  -0.44023076
 H    5.44375088  -0.18276631   0.08698347
 H    4.08143968  -2.22248537   0.55879092
 H    1.59499753  -2.09918936   0.49435476
 H   -3.50034374  -2.25204275  -2.14911221
 H   -2.47540682  -1.04402035  -0.22963937
 H    1.21153210  -0.68011915  -2.42175984
 H    0.19429568  -1.87338345  -4.34357839
 H   -2.16761885  -2.66924094  -4.21850185
 H   -1.33975154   4.01483002  -2.10859880
 H   -1.92284306   5.10493021   0.06084088
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 36
 Energy -808.05873819
 C    0.00000000   0.00000000   0.00000000
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 C    1.53914699   0.00000000   0.00000000
 C    2.31074182   1.12624468  -0.31227079
 C    3.70767350   1.06013384  -0.28940197
 C    4.35265835  -0.12920589   0.05169896
 C    3.59148560  -1.25885899   0.36748216
 C    2.19872131  -1.19520043   0.33767995
 C   -2.48119914  -1.87196793  -2.22304402
 C   -1.90989007  -1.19014911  -1.14975386
 C    0.18379161  -1.05917084  -2.34339388
 C   -0.39119987  -1.73963664  -3.42238405
 C   -1.72372353  -2.14815813  -3.36599903
 C   -1.23040735   3.46326639  -1.17257261
 C   -1.52794464   4.08598841   0.04176736
 C   -1.35231552   3.38100430   1.23422655
 C   -0.87671836   2.06825432   1.21080231
 C   -0.75561815   2.14973939  -1.19285108
 O   -0.45919325  -0.71410498   1.17183375
 H    1.81741193   2.06578747  -0.57074338
 H    4.29308893   1.95045922  -0.53451668
 H    5.44464510  -0.17742037   0.07331118
 H    4.08601330  -2.19709106   0.63349120
 H    1.59862417  -2.07751435   0.57594953
 H   -3.52606306  -2.18948811  -2.16872824
 H   -2.49842897  -0.97497197  -0.25514915
 H    1.23079441  -0.75054366  -2.39394208
 H    0.21186989  -1.95277962  -4.30918036
 H   -2.17263589  -2.68158435  -4.20817394
 H   -1.37632900   3.99952360  -2.11424764
 H   -1.90413229   5.11229401   0.05786121
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 H   -0.76833626   1.51732040   2.14788027
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 H    0.16677364  -0.49491677   1.88630525
 36
 Energy -808.05857854
 C    0.00000000   0.00000000   0.00000000
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 C    1.53946926   0.00000000   0.00000000
 C    2.30910606   1.11318737  -0.36103864
 C    3.70594867   1.04871870  -0.34262099
 C    4.35344874  -0.12576075   0.04302567
 C    3.59445938  -1.24197550   0.40724361
 C    2.20127929  -1.18026536   0.38141550
 C   -2.49657968  -1.83790844  -2.23281973
 C   -1.92346547  -1.15128656  -1.16374552
 C    0.19320961  -1.10591576  -2.32249749
 C   -0.38332665  -1.79184549  -3.39736544
 C   -1.72804304  -2.15991965  -3.35633437
 C   -1.24142022   3.45866700  -1.17528088
 C   -1.51304137   4.09198234   0.03950005
 C   -1.31600744   3.39592521   1.23395089
 C   -0.84543005   2.08149426   1.21158109
 C   -0.77170992   2.14313035  -1.19430778
 O   -0.46325629  -0.71451600   1.16958907
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 H    1.24915392  -0.82792088  -2.36147915
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 H   -1.53564342   3.87597025   2.19150319
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 36
 Energy -808.05840017
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 C    3.59776622  -1.22351909   0.44607555
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 C   -1.93622448  -1.11015678  -1.17995499
 C    0.20162852  -1.15558443  -2.29901223
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 C   -0.81925727   2.09235440   1.21180005
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 36
 Energy -808.05820772
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 C    2.20738691  -1.14517417   0.46674599
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 C    0.20910630  -1.20646856  -2.27337879
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 C   -1.48180554   4.10432417   0.03633328
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 C   -0.79997500   2.10065765   1.21155850
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 O   -0.47155277  -0.71437536   1.16537002
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 H    1.28071909  -0.99469176  -2.28434516
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 36
 Energy -808.05799266
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 C   -1.95624439  -1.02774396  -1.21823121
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 C   -1.73914795  -2.20209751  -3.32379442
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 C   -1.24109158   3.42615933   1.23204271
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 C   -0.78397357   2.13829215  -1.19546711
 O   -0.47531157  -0.71400575   1.16348033
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 H   -2.57455173  -0.66194522  -0.39507591
 H    1.29274729  -1.07947479  -2.24038393
 H    0.26630344  -2.32866884  -4.12049545
 H   -2.19214497  -2.75331338  -4.15225306
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 36
 Energy -808.05775104
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 C   -1.22546070   3.46440872  -1.17890733
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 C   -0.77865602   2.14057546  -1.19545412
 O   -0.47913710  -0.71351008   1.16155459
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 H   -2.19508540  -2.77363713  -4.13752624
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 36
 Energy -808.05748758
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 C   -1.96836251  -0.94667308  -1.26402634
 C    0.22303259  -1.36036301  -2.18537012
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 C   -1.74301024  -2.23270852  -3.30204025
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 C   -1.21174167   3.43767583   1.23183842
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 C   -0.77015412   2.14422241  -1.19529185
 O   -0.48250228  -0.71250364   1.16010922
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 H   -2.59538492  -0.50425337  -0.48613411
 H    1.30862732  -1.24860817  -2.14253601
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 H   -1.39044024   3.99137510  -2.12288326
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 36
 Energy -808.05720060
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 C   -2.55079453  -1.62982624  -2.33091703
 C   -1.97122893  -0.90772854  -1.28933895
 C    0.22481065  -1.40982113  -2.15337529
 C   -0.35663353  -2.13655165  -3.19853409
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 C   -1.20170223   3.44161775   1.23207691
 C   -0.76371080   2.11627677   1.21092787
 C   -0.75833615   2.14913235  -1.19504541
 O   -0.48580395  -0.71148910   1.15859223
 H    1.79197938   1.83502801  -1.11787803
 H    4.26422749   1.73628898  -1.12284615
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 H   -3.63919960  -1.71264187  -2.39374965
 H   -2.60084697  -0.42853403  -0.53563481
 H    1.31218807  -1.33038209  -2.08975717
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 H   -2.19737351  -2.81371026  -4.10996674
 H   -1.36673958   4.00035315  -2.12235843
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 36
 Energy -808.05689139
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 C    3.62066712  -1.07093629   0.68467501
 C    2.22453702  -1.02714670   0.67061049
 C   -2.55121984  -1.59818070  -2.35381324
 C   -1.97189314  -0.87051127  -1.31588823
 C    0.22532477  -1.45768688  -2.12051730
 C   -0.35570286  -2.19091858  -3.16121900
 C   -1.74319810  -2.26172806  -3.28300533
 C   -1.17184239   3.48469403  -1.17800425
 C   -1.39828706   4.13627397   0.03597457
 C   -1.19526731   3.44464363   1.23187248
 C   -0.76299688   2.11740488   1.21063001
 C   -0.74365676   2.15479366  -1.19488766
 O   -0.48853386  -0.71090055   1.15689570
 H    1.78890019   1.79013720  -1.18998042
 H    4.26028025   1.69450233  -1.19631347
 H    5.45348092  -0.12913234   0.02114434
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 H    1.63995333  -1.80192497   1.17309830
 H   -3.64008112  -1.64973607  -2.43837050
 H   -2.60299826  -0.35610689  -0.58700944
 H    1.31299807  -1.40945048  -2.03496714
 H    0.28578835  -2.70847379  -3.87958414
 H   -2.19658029  -2.83251637  -4.09790471
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 H   -1.73878007   5.17488814   0.05031005
 H   -1.37790016   3.93875650   2.18992499
 H   -0.62584300   1.59444873   2.16081583
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 36
 Energy -808.05655102
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 C    3.69042734   0.90055138  -0.70753781
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 C    3.62471347  -1.03843169   0.72406246
 C    2.22816359  -0.99832752   0.70933556
 C   -2.54938353  -1.56660768  -2.37882535
 C   -1.97074939  -0.83417005  -1.34370984
 C    0.22443275  -1.50299204  -2.08750934
 C   -0.35585144  -2.24169763  -3.12454584
 C   -1.74196775  -2.27373079  -3.27569778
 C   -1.14903277   3.49351467  -1.17653375
 C   -1.38225919   4.14236808   0.03762798
 C   -1.19214544   3.44588267   1.23272218
 C   -0.76533306   2.11686466   1.21059238
 C   -0.72675133   2.16178950  -1.19426479
 O   -0.49114755  -0.70954576   1.15579042
 H    1.78588672   1.74215388  -1.26041841
 H    4.25637195   1.65014905  -1.26730407
 H    5.45492787  -0.12032670   0.02181299
 H    4.13738869  -1.82250101   1.28818121
 H    1.64652965  -1.75623902   1.23999552
 H   -3.63725816  -1.58792874  -2.48605900
 H   -2.60219461  -0.28610256  -0.64005700
 H    1.31097937  -1.48485051  -1.97918680
 H    0.28501318  -2.79395708  -3.81718256
 H   -2.19468597  -2.84835286  -4.08827004
 H   -1.30570697   4.02282164  -2.12040059
 H   -1.71820947   5.18244193   0.05256528
 H   -1.38053160   3.93747018   2.19093873
 H   -0.63863623   1.59108470   2.16065009
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 H   -0.02703625  -0.33770604   1.92942386
 36
 Energy -808.05619388
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 C    1.54479882   0.00000000   0.00000000
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 C    3.68888510   0.87538915  -0.74587408
 C    4.36358097  -0.08273864   0.01504002
 C    3.62866573  -1.00338329   0.76368132
 C    2.23172547  -0.96735863   0.74777107
 C   -2.54556868  -1.53657198  -2.40467353
 C   -1.96788177  -0.79950541  -1.37212721
 C    0.22205292  -1.54560574  -2.05483103
 C   -0.35728775  -2.28944974  -3.08851149
 C   -1.74028876  -2.28486413  -3.26928499
 C   -1.12554125   3.50283633  -1.17425450
 C   -1.36764283   4.14801869   0.04015669
 C   -1.19216102   3.44591760   1.23409302
 C   -0.77036487   2.11530208   1.21059229
 C   -0.70849910   2.16954983  -1.19327775
 O   -0.49392233  -0.70823604   1.15442971
 H    1.78318209   1.69049778  -1.33018519
 H    4.25266186   1.60249245  -1.33660354
 H    5.45640663  -0.11058484   0.02361533
 H    4.14316212  -1.76296930   1.35870448
 H    1.65303117  -1.70695214   1.30670441
 H   -3.63112619  -1.52929294  -2.53477816
 H   -2.59856864  -0.21961115  -0.69371921
 H    1.30613811  -1.55605152  -1.92329257
 H    0.28174776  -2.87446912  -3.75543522
 H   -2.19219131  -2.86313763  -4.07971789
 H   -1.27154773   4.03624719  -2.11750845
 H   -1.69952973   5.18938385   0.05594265
 H   -1.38821658   3.93413631   2.19249202
 H   -0.65596598   1.58571496   2.16011731
 H   -0.54840644   1.66724098  -2.15111217
 H   -0.04045171  -0.32873922   1.93072094
 36
 Energy -808.05582024
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 36
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 36
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 36
 Energy -808.05459051
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 36
 Energy -808.05416030
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 36
 Energy -808.05369150
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 36
 Energy -808.05331809
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 36
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 36
 Energy -808.05258410
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 36
 Energy -808.05230671
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 C   -0.41848407  -2.62649530  -2.77964002
 C   -1.71503099  -2.36457811  -3.22626952
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 C   -1.41729482   3.38195777   1.20047152
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 36
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 36
 Energy -808.05195410
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 36
 Energy -808.05191117
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 36
 Energy -808.05195406
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 36
 Energy -808.05208991
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 36
 Energy -808.05230659
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 36
 Energy -808.05258394
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 C   -1.29337634   1.94568237   1.04860274
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 36
 Energy -808.05295327
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 C   -1.76193874  -0.41960849  -1.81665632
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 C   -1.77756266   3.25592004   1.05308872
 C   -1.33549201   1.92907340   1.02278524
 C   -0.13888847   2.37123781  -1.01484288
 O   -0.50417787  -0.70053589   1.14801215
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 36
 Energy -808.05332006
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 C   -2.28694965  -1.18988692  -2.86163667
 C   -1.74056293  -0.40328673  -1.84375910
 C    0.03642163  -2.00830306  -1.56045511
 C   -0.50428847  -2.79145444  -2.58060065
 C   -1.66787143  -2.38284093  -3.23790801
 C   -0.55926908   3.70051238  -0.97294020
 C   -1.41772036   4.13840827   0.03972836
 C   -1.82573063   3.23764490   1.02253942
 C   -1.37838894   1.91254410   0.99388848
 C   -0.09998703   2.38407363  -0.98741138
 O   -0.50441069  -0.70086392   1.14840881
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 H    5.46623146   0.11862849   0.06546085
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 H   -2.23231927   0.52874648  -1.55641954
 H    0.94175472  -2.33675673  -1.04445499
 H   -0.01573882  -3.72854880  -2.86087064
 H   -2.09204597  -2.99525807  -4.03818202
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 H   -1.76958909   5.17320675   0.05642809
 H   -2.50863349   3.55913270   1.81372748
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 36
 Energy -808.05369210
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 C    0.02085607  -2.02503231  -1.53532109
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 H   -2.07977671  -2.99888739  -4.04163002
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 H   -1.78492526   5.16673251   0.05060717
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 36
 Energy -808.05415915
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 C    2.25629217  -0.12725173   1.20197705
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 C   -1.69448753  -0.37418314  -1.89772476
 C    0.00455529  -2.04105413  -1.51064443
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 C   -1.64857196  -2.38766745  -3.24412986
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 C   -1.44392726   4.12638808   0.03284610
 C   -1.92380201   3.19730992   0.95548865
 C   -1.46419441   1.87654421   0.92971619
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 H    0.87618551  -2.39126868  -0.95246555
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 H   -2.06625906  -3.00173619  -4.04655492
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 36
 Energy -808.05458922
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 C    4.37037557   0.09500091   0.04466488
 C    3.65056115  -0.05336389   1.23099451
 C    2.25509155  -0.09960854   1.20504543
 C   -2.20117007  -1.14975990  -2.94981562
 C   -1.66750036  -0.35975388  -1.92693089
 C   -0.01336032  -2.05775223  -1.48397261
 C   -0.54024711  -2.84355631  -2.50854384
 C   -1.63670792  -2.39044544  -3.24796356
 C   -0.47607615   3.73241394  -0.88440688
 C   -1.46124533   4.11857063   0.02887123
 C   -1.97285924   3.17525942   0.91982131
 C   -1.50485569   1.85763299   0.89616097
 C    0.00329871   2.42263245  -0.89252221
 O   -0.50425925  -0.70126340   1.15059887
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 H   -3.06365730  -0.78859318  -3.51642251
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 H    0.83884993  -2.41884469  -0.90308641
 H   -0.09453782  -3.81735947  -2.72863539
 H   -2.05051192  -3.00541036  -4.05171418
 H   -0.06888587   4.45991849  -1.59179732
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 36
 Energy -808.05501446
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 C    4.36937801   0.09646701   0.04297572
 C    3.64945268  -0.02797597   1.23220283
 C    2.25411900  -0.07489809   1.20718823
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 C   -1.63773938  -0.34556293  -1.95755392
 C   -0.03256190  -2.07431945  -1.45660767
 C   -0.55412109  -2.86132665  -2.48276829
 C   -1.62364646  -2.39351362  -3.25218454
 C   -0.45475710   3.74197783  -0.85264513
 C   -1.47846489   4.11092505   0.02449050
 C   -2.02065522   3.15359009   0.88207692
 C   -1.54502416   1.83885239   0.86053446
 C    0.03189691   2.43465162  -0.85833139
 O   -0.50392270  -0.70162552   1.15132713
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 H    1.72021088  -0.19057752   2.15404794
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 H    0.79855775  -2.44600280  -0.85226410
 H   -0.12550974  -3.84742428  -2.68099970
 H   -2.03332596  -3.00951310  -4.05725578
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 36
 Energy -808.05542756
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 C   -1.60540785  -0.33228456  -1.98885944
 C   -0.05270345  -2.09067247  -1.42848588
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 C   -1.60882679  -2.39722825  -3.25654166
 C   -0.43626479   3.75142332  -0.81850262
 C   -1.49698864   4.10259647   0.02091411
 C   -2.06774272   3.13091005   0.84357023
 C   -1.58373175   1.81947813   0.82417618
 C    0.05770360   2.44658213  -0.82261144
 O   -0.50374066  -0.70179817   1.15233004
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 H   -2.94553606  -0.74012186  -3.63150681
 H   -2.01836335   0.66286367  -1.81034931
 H    0.75570833  -2.47227304  -0.79993942
 H   -0.15818793  -3.87728683  -2.63194096
 H   -2.01400062  -3.01444443  -4.06295315
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 36
 Energy -808.05583252
 C    0.00000000   0.00000000   0.00000000
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 C   -2.08556304  -1.11358583  -3.05120302
 C   -1.56999989  -0.31966902  -2.02126622
 C   -0.07421679  -2.10685327  -1.39965175
 C   -0.58344455  -2.89682145  -2.42929413
 C   -1.59216617  -2.40125883  -3.26145996
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 C   -1.51598567   4.09412454   0.01764774
 C   -2.11320471   3.10830155   0.80427925
 C   -1.62098971   1.80015123   0.78681847
 C    0.08074991   2.45815799  -0.78590734
 O   -0.50273718  -0.70205942   1.15355657
 H    1.75542947   0.06162131  -2.15077533
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 H   -2.87795930  -0.71772497  -3.69215120
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 H    0.70960596  -2.49804189  -0.74633971
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 36
 Energy -808.05619513
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 C    2.25143848  -0.01876937   1.21035715
 C   -2.03939807  -1.10178115  -3.08788717
 C   -1.53137344  -0.30700863  -2.05458963
 C   -0.09708821  -2.12215996  -1.37146339
 C   -0.59922850  -2.91308549  -2.40365120
 C   -1.57353931  -2.40401652  -3.26826938
 C   -0.40746156   3.76932631  -0.74622750
 C   -1.53541253   4.08544043   0.01535971
 C   -2.15730208   3.08538371   0.76454907
 C   -1.65687116   1.78065213   0.74853605
 C    0.10123175   2.46957389  -0.74796169
 O   -0.50250600  -0.70191931   1.15466279
 H    1.75386519   0.03877876  -2.15116841
 H    4.22839085   0.14830686  -2.11854018
 H    5.45897041   0.13113485   0.05452800
 H    4.17253527   0.00677093   2.19154619
 H    1.71450134  -0.08709872   2.16019668
 H   -2.80432018  -0.69490014  -3.75478904
 H   -1.90299947   0.71147923  -1.92335607
 H    0.66007996  -2.52293333  -0.69294706
 H   -0.23013623  -3.93404586  -2.53340847
 H   -1.96801844  -3.02330432  -4.07838544
 H    0.08931785   4.54347718  -1.33733049
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 36
 Energy -808.05672302
 C    0.00000000   0.00000000   0.00000000
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 C    4.36502333   0.09567966   0.03232567
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 C    2.25075935  -0.00456408   1.21182676
 C   -1.99412693  -1.09327295  -3.12104164
 C   -1.49259254  -0.29690399  -2.08561166
 C   -0.12236179  -2.13771006  -1.34167473
 C   -0.61851296  -2.93038464  -2.37522465
 C   -1.55756559  -2.40933742  -3.27134147
 C   -0.39832714   3.77746813  -0.70887911
 C   -1.55579412   4.07615239   0.01415340
 C   -2.19905173   3.06216229   0.72615718
 C   -1.69014488   1.76104625   0.71123077
 C    0.11805028   2.48041348  -0.71027387
 O   -0.50263961  -0.70137188   1.15601876
 H    1.74883288   0.01758873  -2.15159387
 H    4.22542223   0.12439490  -2.12586818
 H    5.45741320   0.13007352   0.04723290
 H    4.17827842   0.03193551   2.18484141
 H    1.71465386  -0.06010950   2.16266378
 H   -2.73103433  -0.67669456  -3.81304355
 H   -1.84152905   0.73229857  -1.97773526
 H    0.60711798  -2.54684591  -0.63836341
 H   -0.27233476  -3.96199589  -2.48179438
 H   -1.94729519  -3.03009027  -4.08263589
 H    0.11539905   4.56285551  -1.26991069
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 36
 Energy -808.05689023
 C    0.00000000   0.00000000   0.00000000
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 C    1.54513843   0.00000000   0.00000000
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 C    3.67523167   0.08241226  -1.17880992
 C    4.36509185   0.09301154   0.03506059
 C    3.64593242   0.05058484   1.23124298
 C    2.25077270   0.00548485   1.21062302
 C   -1.94063904  -1.08139701  -3.15975156
 C   -1.44796256  -0.28492245  -2.11995606
 C   -0.14790739  -2.15091409  -1.31501142
 C   -0.63591709  -2.94389165  -2.35204167
 C   -1.53549393  -2.41037024  -3.28087156
 C   -0.38842467   3.78595679  -0.66884573
 C   -1.57403728   4.06789320   0.01382219
 C   -2.23834272   3.04027172   0.68640401
 C   -1.72201332   1.74238393   0.67209444
 C    0.13456084   2.49121203  -0.67050425
 O   -0.50213127  -0.70140675   1.15686520
 H    1.74976880   0.00162111  -2.15133144
 H    4.22594467   0.10361798  -2.12318123
 H    5.45759284   0.12620810   0.04922903
 H    4.17315316   0.04863250   2.18905130
 H    1.71269845  -0.04163137   2.16111121
 H   -2.64610071  -0.65468513  -3.87785252
 H   -1.77252035   0.75435158  -2.03479032
 H    0.55094388  -2.56896480  -0.58628736
 H   -0.31418107  -3.98545391  -2.43609196
 H   -1.91877748  -3.03145434  -4.09497551
 H    0.14211828   4.58234325  -1.19781180
 H   -1.97728147   5.08400922   0.02199946
 H   -3.17005205   3.24607677   1.22056373
 H   -2.25089518   0.92915108   1.17548405
 H    1.07305047   2.29096048  -1.19210076
 H   -0.32222349  -0.13122475   1.92795886
 36
 Energy -808.05719382
 C    0.00000000   0.00000000   0.00000000
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 C    1.54489734   0.00000000   0.00000000
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 C    3.67565370   0.07339633  -1.17729854
 C    4.36479743   0.09024639   0.03696017
 C    3.64469371   0.05555789   1.23286310
 C    2.24959850   0.01149507   1.21104013
 C   -1.88425918  -1.06909256  -3.19836440
 C   -1.40132274  -0.27329868  -2.15335097
 C   -0.17527531  -2.16310681  -1.28933783
 C   -0.65441202  -2.95552889  -2.33083977
 C   -1.51194921  -2.40981202  -3.29188807
 C   -0.38048138   3.79380620  -0.62775049
 C   -1.59205233   4.05964012   0.01419217
 C   -2.27584354   3.01881907   0.64623948
 C   -1.75261359   1.72399430   0.63194224
 C    0.14899321   2.50139298  -0.62977782
 O   -0.50089471  -0.70061086   1.15880786
 H    1.75065784  -0.00873990  -2.15119606
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 H    5.45734503   0.12228982   0.05154314
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 36
 Energy -808.05748139
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 36
 Energy -808.05774634
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 36
 Energy -808.05798672
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 36
 Energy -808.05819809
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 36
 Energy -808.05839621
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 36
 Energy -808.05857335
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 36
 Energy -808.05873251
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 C    0.20300172   2.56228890  -0.31380116
 O   -0.49670781  -0.68869299   1.17167800
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 36
 Energy -808.05887348
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 C    4.36148508   0.07017022   0.04370172
 C    3.64101964  -0.05308414   1.23335064
 C    2.24511840  -0.08961875   1.20895580
 C   -1.42822457  -0.99655390  -3.44256193
 C   -1.01087606  -0.21392976  -2.36055253
 C   -0.44017740  -2.21481773  -1.13722462
 C   -0.86082669  -2.99452691  -2.21368490
 C   -1.35513898  -2.38786919  -3.37288288
 C   -0.37249462   3.84230517  -0.23614653
 C   -1.72665343   3.99692027   0.06183860
 C   -2.50600202   2.86709465   0.32980549
 C   -1.93203873   1.59686831   0.29544417
 C    0.20513312   2.56854787  -0.26420567
 O   -0.49582817  -0.68599608   1.17399451
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 36
 Energy -808.05899835
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 C    4.36117058   0.06562097   0.04586278
 C    3.64053658  -0.09202270   1.23121851
 C    2.24441089  -0.12631522   1.20586502
 C   -1.38243689  -0.99410470  -3.46108954
 C   -0.96998732  -0.21262498  -2.37655310
 C   -0.47072185  -2.21573586  -1.12600558
 C   -0.88698780  -2.99431810  -2.20515957
 C   -1.34279236  -2.38620192  -3.37914279
 C   -0.37667167   3.84516573  -0.18095494
 C   -1.74079529   3.99010221   0.07248689
 C   -2.52528423   2.85303502   0.29118197
 C   -1.94614775   1.58550746   0.25196575
 C    0.20599336   2.57365667  -0.21440705
 O   -0.49486991  -0.68379558   1.17593229
 H    1.74945019   0.21733786  -2.14183882
 H    4.22595142   0.28957369  -2.10156047
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 H    4.16725698  -0.19619171   2.18381846
 H    1.68656724  -0.27865056   2.13236306
 H   -1.74128852  -0.50717270  -4.37194888
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 H   -0.11658045  -2.68794501  -0.20715777
 H   -0.85437331  -4.08468117  -2.13056896
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 H    0.24651183   4.72763914  -0.34928765
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 H   -3.59594383   2.95456667   0.48855675
 H   -2.55642771   0.69327671   0.41651244
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 36
 Energy -808.05910778
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 C    1.54420429   0.00000000   0.00000000
 C    2.27703041   0.18197651  -1.18230452
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 C    4.36119393   0.06021166   0.04711061
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 36
 Energy -808.05919600
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 36
 Energy -808.05926404
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 C    3.64211162  -0.23324974   1.20903096
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 H   -0.25423486  -2.68701425  -0.15399983
 H   -0.97129511  -4.08602824  -2.08398831
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 36
 Energy -808.05931142
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 C    2.24600359  -0.30320473   1.17213060
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 C    0.19672715   2.58351319  -0.01524291
 O   -0.49621412  -0.67659110   1.17967510
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 36
 Energy -808.05934674
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 O   -0.49876784  -0.67600970   1.17839887
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 36
 Energy -808.05929063
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 O   -0.49796079  -0.68148878   1.17469971
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 36
 Energy -808.05915238
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 C   -1.04437266  -2.96642406  -2.18608295
 C   -0.63935020  -2.20153671  -1.09151322
 C   -0.75293311  -0.20742609  -2.44629727
 C   -1.14779110  -0.97531921  -3.54491348
 C   -1.29573411  -2.35761632  -3.41867901
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 C    4.36456270  -0.01896364   0.03465349
 C    3.64305075  -0.46419953   1.14260057
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 C    2.28036711   0.42814448  -1.11701213
 O   -0.49690865  -0.68571734   1.17171385
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 H   -0.44572528  -2.67370335  -0.12656634
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 H   -1.35184373  -0.48585523  -4.50108197
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 36
 Energy -808.05892576
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 C   -0.51535746   3.84005553  -0.04370424
 C    0.12751834   2.59656729  -0.07328145
 C   -1.09466526  -2.94813266  -2.18929986
 C   -0.68241715  -2.19107249  -1.09166185
 C   -0.72330761  -0.19955690  -2.45427824
 C   -1.12297653  -0.96001337  -3.55592210
 C   -1.31121038  -2.33736736  -3.42726113
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 C    4.36610969  -0.03117157   0.03701203
 C    3.64143218  -0.49607646   1.13469072
 C    2.24394808  -0.47952866   1.11443306
 C    2.28460446   0.44636650  -1.10760444
 O   -0.49512773  -0.68923120   1.16938444
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 H   -3.74037027   2.78349975   0.25228903
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 H    0.07998774   4.75506035  -0.10566247
 H    1.21584534   2.55224858  -0.15247213
 H   -1.24673756  -4.02502838  -2.07623331
 H   -0.51534104  -2.66481074  -0.12265355
 H   -0.61400272   0.88349841  -2.55692349
 H   -1.30088730  -0.46839887  -4.51618037
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 H    4.23498939   0.79143578  -1.96003341
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 36
 Energy -808.05861145
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 C   -2.66581674   2.72052994   0.19120769
 C   -1.93062856   3.90339546   0.05789198
 C   -0.54615716   3.83717725  -0.09512622
 C    0.10719409   2.59888652  -0.11709826
 C   -1.14503557  -2.93124380  -2.18909808
 C   -0.72656513  -2.18030195  -1.08929592
 C   -0.69197657  -0.19613939  -2.46256999
 C   -1.09578208  -0.95097211  -3.56617954
 C   -1.32498442  -2.32185800  -3.43334083
 C    3.68458001   0.45009784  -1.07522787
 C    4.36771995  -0.04393811   0.03952972
 C    3.63957489  -0.52788451   1.12653814
 C    2.24228896  -0.50461699   1.10511468
 C    2.28916022   0.46384372  -1.09795799
 O   -0.49289685  -0.69207840   1.16777999
 H   -2.58792391   0.56090495   0.25410844
 H   -3.75152868   2.75954929   0.31436193
 H   -2.43737340   4.87193548   0.07678302
 H    0.03899086   4.75571915  -0.19202585
 H    1.19350859   2.56319442  -0.22307485
 H   -1.33041918  -4.00250901  -2.07236821
 H   -0.58740489  -2.65305359  -0.11553759
 H   -0.55482538   0.88342413  -2.56851500
 H   -1.24626433  -0.45966394  -4.53126712
 H   -1.64986898  -2.91187437  -4.29442623
 H    4.24183881   0.81781168  -1.94115919
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 H    4.15941568  -0.93341055   1.99893909
 H    1.67149894  -0.90787666   1.94365882
 H    1.77381155   0.82456210  -1.99140584
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 36
 Energy -808.05821549
 C    0.00000000   0.00000000   0.00000000
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 C   -2.02001161   1.47854243   0.19622672
 C   -2.67778337   2.70576903   0.22659678
 C   -1.95745943   3.89170070   0.04825211
 C   -0.57761906   3.83338091  -0.14462167
 C    0.08592547   2.60034615  -0.16041092
 C   -1.19373978  -2.91565426  -2.18680263
 C   -0.77022389  -2.16937010  -1.08547705
 C   -0.65961702  -0.19664895  -2.47069035
 C   -1.06650891  -0.94739124  -3.57561038
 C   -1.33632327  -2.31052374  -3.43767369
 C    3.68986756   0.46188745  -1.06242906
 C    4.36937852  -0.05662413   0.04321650
 C    3.63716890  -0.55972861   1.11865916
 C    2.24016272  -0.52983748   1.09543525
 C    2.29442634   0.48119136  -1.08759989
 O   -0.49032434  -0.69435839   1.16655563
 H   -2.57936678   0.54835609   0.32564834
 H   -3.75963795   2.73808978   0.38158332
 H   -2.47167254   4.85634746   0.06347286
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 36
 Energy -808.05773340
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 36
 Energy -808.05714525
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 36
 Energy -808.05651507
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 36
 Energy -808.05578803
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 36
 Energy -808.05501488
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 36
 Energy -808.05416258
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 36
 Energy -808.05327153
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 36
 Energy -808.05235609
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 C   -1.06046322  -2.08331044  -1.02704991
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 C   -0.83508371  -1.05939181  -3.60951646
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 O   -0.46075726  -0.70358579   1.16685711
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 36
 Energy -808.05143446
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 C   -0.90205030   3.75625512  -0.55163075
 C   -0.16562943   2.56655152  -0.55697012
 C   -1.52958812  -2.82607282  -2.11091603
 C   -1.08712687  -2.07374921  -1.01976120
 C   -0.38776834  -0.32111896  -2.51858479
 C   -0.81182577  -1.08071814  -3.60913362
 C   -1.38551231  -2.33903223  -3.41040162
 C    3.74917373   0.59054339  -0.89690816
 C    4.38672811  -0.15219942   0.09820927
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 C    2.21565338  -0.76509370   0.97536119
 C    2.35494267   0.65020928  -0.95699404
 O   -0.45650359  -0.70428179   1.16745708
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 36
 Energy -808.05052625
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 36
 Energy -808.04969431
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 36
 Energy -808.04896359
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 36
 Energy -808.04841968
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 36
 Energy -808.04802228
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 36
 Energy -808.04791510
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 36
 Energy -808.04801404
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 36
 Energy -808.04838508
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 C   -0.68769890  -1.17942405  -3.60459236
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 36
 Energy -808.04895687
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 C   -0.42793261   2.44381681  -0.88769136
 C   -1.76439223  -2.70528328  -2.08908643
 C   -1.29413077  -1.96202664  -1.00317827
 C   -0.19208221  -0.45073070  -2.52154522
 C   -0.67110786  -1.18602919  -3.60567749
 C   -1.46119913  -2.31888951  -3.39475460
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 C    4.38406906  -0.24436515   0.05924102
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 C    2.19168324  -1.03969589   0.70584590
 C    2.38138520   0.90799345  -0.68287902
 O   -0.42936796  -0.71592463   1.16932754
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 36
 Energy -808.04968339
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 C   -2.43597352   2.80620989   0.98766113
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 C   -1.13219956   3.64129242  -0.84827306
 C   -0.44239365   2.42840966  -0.91277858
 C   -1.79156895  -2.68203824  -2.09495148
 C   -1.31852734  -1.94268255  -1.00764947
 C   -0.16839382  -0.46241501  -2.52124696
 C   -0.65259559  -1.19188531  -3.60709596
 C   -1.46815598  -2.30710912  -3.39918639
 C    3.77155782   0.80872935  -0.62552851
 C    4.38070459  -0.24860129   0.04936614
 C    3.57752748  -1.18549198   0.70167338
 C    2.18842903  -1.06812927   0.66418999
 C    2.37912572   0.93770983  -0.64156198
 O   -0.42861369  -0.71786916   1.16881319
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 H   -3.23429682   2.92762332   1.72496812
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 36
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 36
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 36
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 36
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 36
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 36
 Energy -808.05499192
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 36
 Energy -808.05577939
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 36
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 36
 Energy -808.05714788
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 36
 Energy -808.05771766
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 36
 Energy -808.05819845
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 36
 Energy -808.05860279
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 36
 Energy -808.05891594
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 36
 Energy -808.05914846
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 C    2.32540265   1.15711847  -0.02821572
 O   -0.43414003  -0.72724701   1.17157477
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 H    1.07005556  -0.26685642  -2.54827150
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 36
 Energy -808.05929383
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 C   -2.35976028  -2.08321641  -2.17895930
 C   -1.80193297  -1.41574199  -1.08819859
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 C   -0.46244553  -1.46251515  -3.53430584
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 C    4.34793600  -0.16448075   0.11069480
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 C    2.31970192   1.16116563   0.01622238
 O   -0.43341732  -0.72433145   1.17462773
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 H   -2.13325586  -2.62831591  -4.26240894
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 36
 Energy -808.05934781
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 C   -1.04279914   3.54118138  -1.11438514
 C   -0.51262905   2.25071926  -1.13229140
 C   -2.40329620  -2.04184078  -2.16748436
 C   -1.82963317  -1.38101180  -1.08119741
 C    0.08995193  -0.82466882  -2.43405463
 C   -0.48857734  -1.48096400  -3.52441165
 C   -1.73677485  -2.09182936  -3.39517738
 C    3.70938366   1.08568927   0.13212714
 C    4.34698223  -0.15454536   0.13821134
 C    3.58069173  -1.32390912   0.08188836
 C    2.19112442  -1.24662457   0.01489555
 C    2.31351174   1.16370974   0.06566485
 O   -0.43175478  -0.72104690   1.17811936
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 H   -2.28151132   3.57098627   2.05797112
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 H   -0.03835293   1.87621792  -2.04318314
 H   -3.37956832  -2.52113066  -2.05472118
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 H    1.07847853  -0.36973623  -2.53932717
 H    0.04645723  -1.52047375  -4.47713857
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 H    5.43749388  -0.21341529   0.18902616
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 H    1.82521610   2.14057422   0.06549398
 H    0.23581818  -0.53652484   1.86397841
