 23
 Energy -388.1949930466
 C   -1.38265768  -0.80976268   0.85043532
 C   -1.52012036   0.58083648   0.99270375
 C   -0.52457127   1.52782873   1.20064084
 C   -0.23899857  -1.61053479   1.00417685
 C    0.85285107   1.51703752   0.88315726
 C    1.07514175  -1.20540527   1.19863610
 C    1.73835507  -0.00000000   0.87024989
 H   -2.32427007  -1.36027304   0.78428181
 H   -2.54526477   0.93868686   1.11028663
 H   -0.85424405   2.45192202   1.68750396
 H   -0.43019111  -2.67764483   1.13649127
 H    1.46053321   2.27475849   1.38090621
 H    1.72326802  -1.94159138   1.68601930
 H    2.70102953   0.15516554   1.36067327
 C    1.50224895   0.88668612  -0.33015831
 C    0.65773955   0.41103452  -1.49336074
 H    1.23392913  -0.31271065  -2.08534148
 H   -0.28706868  -0.05929101  -1.21271957
 H    0.42860982   1.26955416  -2.13882023
 C    2.76705294   1.62533226  -0.77278264
 H    3.37345326   1.96080940   0.07828194
 H    3.38206284   0.96370203  -1.39668610
 H    2.49336373   2.50396779  -1.37112705
 23
 Energy -388.1947624841
 C   -1.38527042  -0.80722744   0.84954743
 C   -1.51905500   0.58465297   0.98094322
 C   -0.51996668   1.52494536   1.20427124
 C   -0.24323872  -1.60785255   1.01646281
 C    0.85937832   1.50962569   0.89491822
 C    1.07262031  -1.20414403   1.19657647
 C    1.73553215  -0.00000000   0.85728063
 H   -2.32776376  -1.35614089   0.78250325
 H   -2.54365729   0.94830215   1.08454359
 H   -0.84945387   2.44863627   1.69203506
 H   -0.43616401  -2.67273500   1.16327297
 H    1.46969991   2.26175104   1.39753310
 H    1.72385570  -1.93845747   1.68242849
 H    2.70458760   0.14917213   1.33702615
 C    1.49607979   0.89289565  -0.33652660
 C    0.63573120   0.43799105  -1.49670555
 H    1.16719929  -0.33924470  -2.06219089
 H   -0.34192331   0.04095804  -1.21503428
 H    0.47165216   1.29127931  -2.16822197
 C    2.76206166   1.62598655  -0.78462624
 H    3.36498249   1.97573310   0.06313800
 H    3.37984825   0.95380842  -1.39469982
 H    2.49094489   2.49410618  -1.39907420
 23
 Energy -388.1942395155
 C   -1.39199561  -0.79912362   0.84947377
 C   -1.51797054   0.59417234   0.96805010
 C   -0.50912990   1.52052955   1.20681207
 C   -0.25253331  -1.60148470   1.03056178
 C    0.87427625   1.48926747   0.90902243
 C    1.06588999  -1.20336104   1.19224072
 C    1.73146315  -0.00000000   0.84383916
 H   -2.33628385  -1.34489645   0.78161901
 H   -2.53996093   0.96940518   1.05367573
 H   -0.83246198   2.44903083   1.68956429
 H   -0.44929466  -2.66327788   1.19353688
 H    1.48811337   2.23679377   1.41368430
 H    1.71963246  -1.93870118   1.67278753
 H    2.70820073   0.13756882   1.31141237
 C    1.49672418   0.89123683  -0.34968876
 C    0.62204210   0.45246050  -1.50578874
 H    1.11409082  -0.36639369  -2.04801418
 H   -0.37764132   0.11526646  -1.22249759
 H    0.50821059   1.29564675  -2.19983457
 C    2.76717051   1.61205430  -0.80677451
 H    3.36249649   1.98994223   0.03415111
 H    3.39037955   0.91869004  -1.38743936
 H    2.50337303   2.45835751  -1.45369977
 23
 Energy -388.1932207226
 C   -1.40012179  -0.78730606   0.84970470
 C   -1.51591214   0.60613528   0.95644278
 C   -0.49475874   1.51874138   1.20607242
 C   -0.26349556  -1.59478501   1.04475347
 C    0.89296152   1.46209999   0.92649476
 C    1.05593698  -1.20488556   1.18761403
 C    1.72538970  -0.00000000   0.82891786
 H   -2.34678633  -1.32861032   0.77810656
 H   -2.53406186   0.99586787   1.01790834
 H   -0.81086865   2.45819555   1.67218939
 H   -0.46682804  -2.65242173   1.22565207
 H    1.51070701   2.21141854   1.42303688
 H    1.71214715  -1.94070950   1.66355648
 H    2.70829823   0.12380632   1.28767564
 C    1.50840087   0.87222924  -0.37102677
 C    0.61731141   0.44863649  -1.52081253
 H    1.07438038  -0.40156784  -2.04594450
 H   -0.39494111   0.15609624  -1.23096435
 H    0.53664637   1.28073059  -2.23224614
 C    2.78352475   1.58095262  -0.83732888
 H    3.37354463   1.98322413  -0.00409010
 H    3.40990022   0.86588795  -1.38851652
 H    2.52991534   2.40569453  -1.51507057
 23
 Energy -388.1913990913
 C   -1.40768921  -0.77520455   0.85023119
 C   -1.51266068   0.61647583   0.94715955
 C   -0.47973254   1.52040823   1.20191888
 C   -0.27316057  -1.58999223   1.05742386
 C    0.90913750   1.43749398   0.94665104
 C    1.04547183  -1.20918125   1.18403648
 C    1.71863368  -0.00000000   0.81257902
 H   -2.35676781  -1.31173980   0.77299177
 H   -2.52629183   1.02033982   0.98395558
 H   -0.79084438   2.47228824   1.64578207
 H   -0.48472689  -2.64280067   1.25634631
 H    1.53172273   2.19496842   1.42349246
 H    1.70425324  -1.94378835   1.65774141
 H    2.70581232   0.11145672   1.26627476
 C    1.52845476   0.83787928  -0.40017364
 C    0.61722740   0.43197031  -1.53873587
 H    1.04258582  -0.44217968  -2.05264186
 H   -0.40053687   0.17160857  -1.23590278
 H    0.55607923   1.25383530  -2.26327754
 C    2.80424020   1.54014783  -0.87097148
 H    3.39089493   1.95824844  -0.04337929
 H    3.43289074   0.80739686  -1.39759560
 H    2.56197497   2.34746026  -1.57283703
 23
 Energy -388.1889501391
 C   -1.41438603  -0.76435116   0.85090616
 C   -1.50881957   0.62468222   0.93967995
 C   -0.46536490   1.52346812   1.19626043
 C   -0.28126611  -1.58655555   1.06849001
 C    0.92151844   1.41754190   0.96716026
 C    1.03602304  -1.21478556   1.18115193
 C    1.71229512  -0.00000000   0.79635121
 H   -2.36556120  -1.29630809   0.76812572
 H   -2.51777109   1.04096849   0.95576719
 H   -0.77256210   2.48606169   1.61911732
 H   -0.50097931  -2.63456300   1.28383996
 H    1.55025479   2.18487730   1.41825492
 H    1.69753797  -1.94766072   1.65317093
 H    2.70322104   0.10062152   1.24570729
 C    1.55096286   0.79780155  -0.43395177
 C    0.61813448   0.41102715  -1.55679150
 H    1.01472787  -0.48272676  -2.06193558
 H   -0.40125059   0.17570630  -1.23782107
 H    0.56968161   1.22302678  -2.29278006
 C    2.82433795   1.49649125  -0.90481462
 H    3.40792131   1.92623776  -0.08121479
 H    3.45511668   0.74829704  -1.40892994
 H    2.59439100   2.28852775  -1.62742782
 23
 Energy -388.1863299001
 C   -1.42039895  -0.75478963   0.85159872
 C   -1.50478928   0.63148690   0.93313334
 C   -0.45191722   1.52671999   1.19043982
 C   -0.28835378  -1.58361901   1.07854664
 C    0.93132538   1.40069735   0.98694802
 C    1.02772726  -1.22049560   1.17850515
 C    1.70640657  -0.00000000   0.78082832
 H   -2.37341929  -1.28255307   0.76386047
 H   -2.50919314   1.05863160   0.93193337
 H   -0.75554712   2.49818518   1.59501506
 H   -0.51534915  -2.62696162   1.30892979
 H    1.56680693   2.17734225   1.41085871
 H    1.69201568  -1.95169987   1.64859343
 H    2.70115421   0.09054839   1.22535077
 C    1.57359817   0.75631935  -0.46978473
 C    0.61926388   0.38907446  -1.57448702
 H    0.98874093  -0.52211940  -2.07144539
 H   -0.39986766   0.17565483  -1.23828176
 H    0.58087730   1.19107985  -2.32137600
 C    2.84373984   1.45110347  -0.93871512
 H    3.42379022   1.89190687  -0.11875236
 H    3.47666575   0.68762228  -1.41949421
 H    2.62695302   2.22698759  -1.68204513
 23
 Energy -388.183835582
 C   -1.42566555  -0.74657254   0.85218364
 C   -1.50086517   0.63711506   0.92706034
 C   -0.43974813   1.52966872   1.18514051
 C   -0.29453825  -1.58083624   1.08786872
 C    0.93914120   1.38628972   1.00552614
 C    1.02064297  -1.22566475   1.17610286
 C    1.70103292  -0.00000000   0.76611777
 H   -2.38021398  -1.27064555   0.75991202
 H   -2.50096587   1.07366310   0.91126446
 H   -0.74012130   2.50813917   1.57453855
 H   -0.52779181  -2.61977430   1.33205540
 H    1.58159030   2.17049212   1.40349232
 H    1.68765401  -1.95532139   1.64415306
 H    2.69950365   0.08109947   1.20560062
 C    1.59569532   0.71484082  -0.50622022
 C    0.62070073   0.36707427  -1.59176808
 H    0.96392513  -0.55997637  -2.08070487
 H   -0.39708464   0.17420839  -1.23814180
 H    0.59114997   1.15897432  -2.34937561
 C    2.86313351   1.40367069  -0.97268284
 H    3.43937480   1.85667552  -0.15678918
 H    3.49820527   0.62440397  -1.42754439
 H    2.66065897   2.16137179  -1.73812429
 23
 Energy -388.1816460357
 C   -1.43009335  -0.73974205   0.85237447
 C   -1.49722659   0.64181889   0.92138350
 C   -0.42916215   1.53200346   1.18081547
 C   -0.29986186  -1.57816080   1.09660855
 C    0.94533879   1.37397046   1.02239359
 C    1.01473156  -1.22988995   1.17404930
 C    1.69627363  -0.00000000   0.75237516
 H   -2.38585391  -1.26060682   0.75578444
 H   -2.49350435   1.08634195   0.89305998
 H   -0.72640065   2.51592204   1.55836966
 H   -0.53822819  -2.61297912   1.35345932
 H    1.59441088   2.16386004   1.39751025
 H    1.68425927  -1.95812232   1.64012445
 H    2.69801740   0.07234030   1.18741998
 C    1.61699315   0.67427437  -0.54177593
 C    0.62279884   0.34568018  -1.60848594
 H    0.94033077  -0.59603826  -2.08948290
 H   -0.39308973   0.17286871  -1.23799565
 H    0.60165032   1.12744366  -2.37645704
 C    2.88344854   1.35367636  -1.00641384
 H    3.45479071   1.82121088  -0.19544147
 H    3.52055137   0.55714952  -1.43093657
 H    2.69691340   2.08993816  -1.79600642
 23
 Energy -388.1797619781
 C   -1.43376536  -0.73406507   0.85213257
 C   -1.49395631   0.64571790   0.91613226
 C   -0.42008670   1.53373738   1.17768882
 C   -0.30443011  -1.57548741   1.10470996
 C    0.95029452   1.36340968   1.03708680
 C    1.00988698  -1.23331249   1.17231047
 C    1.69205696  -0.00000000   0.73993912
 H   -2.39041544  -1.25230310   0.75132351
 H   -2.48682312   1.09685447   0.87691889
 H   -0.71449917   2.52161235   1.54655505
 H   -0.54683757  -2.60655349   1.37310643
 H    1.60502057   2.15710061   1.39387220
 H    1.68164214  -1.96009887   1.63701068
 H    2.69659416   0.06473571   1.17105995
 C    1.63732042   0.63526730  -0.57515514
 C    0.62574315   0.32558204  -1.62437061
 H    0.91827555  -0.62932581  -2.09772912
 H   -0.38798017   0.17252736  -1.23835842
 H    0.61313220   1.09757626  -2.40219843
 C    2.90528289   1.30057576  -1.03937835
 H    3.47083875   1.78566147  -0.23458297
 H    3.54418761   0.48592543  -1.42844590
 H    2.73622266   2.01181664  -1.85511678
 23
 Energy -388.1781017523
 C   -1.43666591  -0.72954205   0.85153215
 C   -1.49115080   0.64880436   0.91134723
 C   -0.41260357   1.53488807   1.17568207
 C   -0.30813444  -1.57285492   1.11197307
 C    0.95416631   1.35454021   1.04959428
 C    1.00604354  -1.23583567   1.17114541
 C    1.68834483  -0.00000000   0.72872580
 H   -2.39381953  -1.24582615   0.74667670
 H   -2.48117358   1.10531311   0.86284213
 H   -0.70468919   2.52551174   1.53873293
 H   -0.55369243  -2.60054114   1.39064316
 H    1.61376219   2.15063674   1.39226578
 H    1.67969767  -1.96098838   1.63517875
 H    2.69504086   0.05804703   1.15704851
 C    1.65645594   0.59845949  -0.60546386
 C    0.62953082   0.30744778  -1.63918382
 H    0.89846249  -0.65889456  -2.10591699
 H   -0.38200558   0.17333490  -1.23954688
 H    0.62560701   1.07048851  -2.42571847
 C    2.92838614   1.24492663  -1.07085738
 H    3.48746233   1.75066494  -0.27416579
 H    3.56839292   0.41136739  -1.41931184
 H    2.77850210   1.92705308  -1.91439465
 23
 Energy -388.176575004
 C   -1.43893622  -0.72603987   0.85062015
 C   -1.48889247   0.65120759   0.90702973
 C   -0.40667035   1.53547078   1.17471625
 C   -0.31105501  -1.57035515   1.11838764
 C    0.95702708   1.34723333   1.05988714
 C    1.00306471  -1.23751665   1.17046707
 C    1.68546223  -0.00000000   0.71889202
 H   -2.39639508  -1.24086646   0.74215591
 H   -2.47648702   1.11196405   0.85068852
 H   -0.69681942   2.52779803   1.53429328
 H   -0.55895009  -2.59510304   1.40611660
 H    1.62075252   2.14443690   1.39224590
 H    1.67828709  -1.96109657   1.63433118
 H    2.69367173   0.05249179   1.14555143
 C    1.67428538   0.56396336  -0.63240790
 C    0.63399236   0.29150746  -1.65275940
 H    0.88092696  -0.68424708  -2.11428183
 H   -0.37541724   0.17528958  -1.24148146
 H    0.63881628   1.04683621  -2.44672648
 C    2.95235204   1.18730926  -1.10049700
 H    3.50460912   1.71630732  -0.31385995
 H    3.59225792   0.33486026  -1.40328001
 H    2.82274942   1.83673818  -1.97245282
 23
 Energy -388.1751448981
 C   -1.44080241  -0.72313357   0.84950147
 C   -1.48709359   0.65312641   0.90319997
 C   -0.40184600   1.53565719   1.17453964
 C   -0.31343359  -1.56792306   1.12401468
 C    0.95915238   1.34102426   1.06823383
 C    1.00074150  -1.23875119   1.17008960
 C    1.68328173  -0.00000000   0.71042083
 H   -2.39834926  -1.23686697   0.73759514
 H   -2.47267731   1.11742452   0.84010149
 H   -0.69026026   2.52913690   1.53224167
 H   -0.56319938  -2.59002862   1.41969288
 H    1.62620640   2.13861945   1.39362312
 H    1.67717892  -1.96080419   1.63429888
 H    2.69247739   0.04802144   1.13610977
 C    1.69101946   0.53146879  -0.65630116
 C    0.63900636   0.27769472  -1.66509827
 H    0.86556585  -0.70578635  -2.12292553
 H   -0.36839711   0.17834284  -1.24404904
 H    0.65281698   1.02640615  -2.46519674
 C    2.97681269   1.12799433  -1.12808091
 H    3.52242814   1.68191546  -0.35367798
 H    3.61584766   0.25816807  -1.38240210
 H    2.86771693   1.74196917  -2.02781074
 23
 Energy -388.1737786074
 C   -1.44227670  -0.72075078   0.84821921
 C   -1.48564884   0.65472191   0.89988027
 C   -0.39787816   1.53564346   1.17478014
 C   -0.31534388  -1.56561747   1.12892144
 C    0.96077458   1.33556427   1.07523024
 C    0.99886879  -1.23956139   1.17012363
 C    1.68150422  -0.00000000   0.70284502
 H   -2.39968041  -1.23386440   0.73281424
 H   -2.46945448   1.12190646   0.83091709
 H   -0.68476279   2.52979409   1.53158219
 H   -0.56658649  -2.58539846   1.43170476
 H    1.63057988   2.13301843   1.39574129
 H    1.67632778  -1.96006743   1.63502833
 H    2.69130465   0.04413468   1.12837427
 C    1.70684970   0.50070337  -0.67744261
 C    0.64455688   0.26571548  -1.67630984
 H    0.85231784  -0.72391845  -2.13170770
 H   -0.36099438   0.18231211  -1.24720520
 H    0.66762148   1.00889751  -2.48151468
 C    3.00131861   1.06744615  -1.15359478
 H    3.54091616   1.64725814  -0.39343960
 H    3.63793472   0.18201544  -1.35747425
 H    2.91258723   1.64383882  -2.07985886
 23
 Energy -388.1724556901
 C   -1.44349793  -0.71872557   0.84684800
 C   -1.48452381   0.65602509   0.89698645
 C   -0.39459726   1.53541426   1.17531673
 C   -0.31689605  -1.56339893   1.13324522
 C    0.96200145   1.33081125   1.08108981
 C    0.99735810  -1.24012609   1.17036847
 C    1.68015553  -0.00000000   0.69614529
 H   -2.40063893  -1.23142330   0.72818429
 H   -2.46681294   1.12569735   0.82284943
 H   -0.68013031   2.53000837   1.53196671
 H   -0.56936468  -2.58105615   1.44232684
 H    1.63408934   2.12792069   1.39835918
 H    1.67567404  -1.95919463   1.63603717
 H    2.69020458   0.04083655   1.12210466
 C    1.72186367   0.47130154  -0.69633395
 C    0.65046155   0.25525183  -1.68651888
 H    0.84075317  -0.73931450  -2.14076330
 H   -0.35340298   0.18714459  -1.25077254
 H    0.68318034   0.99361170  -2.49595071
 C    3.02546174   1.00586866  -1.17725525
 H    3.55990023   1.61179284  -0.43342242
 H    3.65834631   0.10679508  -1.32923053
 H    2.95645302   1.54298958  -2.12824132
 23
 Energy -388.1711610148
 C   -1.44455516  -0.71687213   0.84545986
 C   -1.48365902   0.65719655   0.89440248
 C   -0.39179647   1.53502436   1.17611882
 C   -0.31818324  -1.56122327   1.13708490
 C    0.96291937   1.32652969   1.08599968
 C    0.99614663  -1.24065523   1.17071211
 C    1.67912790  -0.00000000   0.69022213
 H   -2.40125593  -1.22947563   0.72324829
 H   -2.46451479   1.12903464   0.81551458
 H   -0.67597778   2.52983707   1.53305347
 H   -0.57179764  -2.57699532   1.45177408
 H    1.63700443   2.12300035   1.40109778
 H    1.67516916  -1.95850605   1.63706090
 H    2.68924375   0.03801782   1.11695292
 C    1.73618508   0.44262568  -0.71328334
 C    0.65678481   0.24581181  -1.69591431
 H    0.83077069  -0.75250771  -2.15008721
 H   -0.34555032   0.19255611  -1.25484249
 H    0.69952259   0.98018656  -2.50884421
 C    3.04897870   0.94307897  -1.19927252
 H    3.57913945   1.57535183  -0.47371509
 H    3.67732456   0.03328865  -1.29925916
 H    2.99857763   1.43985277  -2.17297064
 23
 Energy -388.1698925802
 C   -1.44550708  -0.71507479   0.84409823
 C   -1.48295349   0.65832309   0.89205748
 C   -0.38930218   1.53466437   1.17707412
 C   -0.31933818  -1.55909882   1.14054246
 C    0.96363006   1.32247029   1.09021626
 C    0.99512059  -1.24128414   1.17107967
 C    1.67835025  -0.00000000   0.68493176
 H   -2.40163211  -1.22774386   0.71839082
 H   -2.46252673   1.13215543   0.80877931
 H   -0.67222179   2.52964679   1.53459770
 H   -0.57399367  -2.57307770   1.46036741
 H    1.63960914   2.11812709   1.40387492
 H    1.67480136  -1.95818680   1.63773356
 H    2.68833694   0.03541321   1.11286209
 C    1.74996187   0.41432761  -0.72857843
 C    0.66352527   0.23701817  -1.70458566
 H    0.82243803  -0.76415663  -2.15973792
 H   -0.33745279   0.19797757  -1.25933075
 H    0.71661569   0.96783587  -2.52038466
 C    3.07176978   0.87899887  -1.21974656
 H    3.59871221   1.53703225  -0.51424987
 H    3.69465746  -0.03903051  -1.26806103
 H    3.03878243   1.33464222  -2.21392910
 23
 Energy -388.1686522352
 C   -1.44636696  -0.71336286   0.84278623
 C   -1.48248055   0.65936966   0.88992769
 C   -0.38711480   1.53423278   1.17805323
 C   -0.32030038  -1.55698616   1.14371992
 C    0.96414145   1.31870613   1.09394394
 C    0.99431456  -1.24195957   1.17139184
 C    1.67780673  -0.00000000   0.68017713
 H   -2.40198804  -1.22616330   0.71400323
 H   -2.46078717   1.13501531   0.80254860
 H   -0.66877883   2.52923556   1.53633175
 H   -0.57594736  -2.56934389   1.46826178
 H    1.64175724   2.11344655   1.40683933
 H    1.67463179  -1.95821512   1.63799520
 H    2.68746137   0.03308845   1.10958161
 C    1.76318821   0.38636183  -0.74244419
 C    0.67068920   0.22846412  -1.71267805
 H    0.81574732  -0.77451243  -2.16986260
 H   -0.32904932   0.20320330  -1.26425584
 H    0.73422916   0.95654682  -2.53065719
 C    3.09359992   0.81374393  -1.23866823
 H    3.61868817   1.49689802  -0.55502187
 H    3.70988515  -0.11002582  -1.23594017
 H    3.07677004   1.22747903  -2.25135953
 23
 Energy -388.1674424595
 C   -1.44719534  -0.71166060   0.84158275
 C   -1.48212981   0.66040406   0.88791272
 C   -0.38516887   1.53378073   1.17913521
 C   -0.32113259  -1.55488682   1.14658760
 C    0.96446565   1.31512259   1.09718369
 C    0.99367192  -1.24275998   1.17167588
 C    1.67748901  -0.00000000   0.67592213
 H   -2.40218455  -1.22469271   0.70974304
 H   -2.45926971   1.13777308   0.79654170
 H   -0.66559684   2.52884541   1.53831418
 H   -0.57771117  -2.56564088   1.47558838
 H    1.64363076   2.10889686   1.40975517
 H    1.67455860  -1.95859548   1.63790376
 H    2.68672551   0.03094001   1.10699184
 C    1.77585416   0.35832141  -0.75502699
 C    0.67819845   0.21974292  -1.72024163
 H    0.81085175  -0.78423999  -2.18048065
 H   -0.32035124   0.20732451  -1.26937292
 H    0.75235829   0.94552548  -2.53978287
 C    3.11431097   0.74707506  -1.25618563
 H    3.63849920   1.45456278  -0.59606785
 H    3.72372171  -0.17984049  -1.20330841
 H    3.11212200   1.11857807  -2.28518251
 23
 Energy -388.1662723875
 C   -1.44802686  -0.70993102   0.84047169
 C   -1.48189618   0.66142661   0.88599167
 C   -0.38341339   1.53335527   1.18027054
 C   -0.32185020  -1.55281229   1.14924374
 C    0.96462159   1.31169548   1.10005630
 C    0.99319863  -1.24373403   1.17187007
 C    1.67736640  -0.00000000   0.67209600
 H   -2.40238999  -1.22328228   0.70553167
 H   -2.45783515   1.14040030   0.79066651
 H   -0.66259954   2.52839728   1.54031373
 H   -0.57938508  -2.56208641   1.48244684
 H    1.64526732   2.10441843   1.41244383
 H    1.67466588  -1.95952690   1.63719146
 H    2.68608426   0.02914337   1.10497970
 C    1.78797395   0.32991523  -0.76646608
 C    0.68589704   0.21033726  -1.72713043
 H    0.80759486  -0.79349581  -2.19177214
 H   -0.31155741   0.20988120  -1.27459081
 H    0.77031403   0.93465368  -2.54762808
 C    3.13375193   0.67885490  -1.27239683
 H    3.65804478   1.40971369  -0.63709728
 H    3.73566818  -0.24871020  -1.17077093
 H    3.14471471   1.00804637  -2.31562071
 23
 Energy -388.1651355914
 C   -1.44894582  -0.70804508   0.83948726
 C   -1.48178395   0.66254436   0.88415477
 C   -0.38162590   1.53292461   1.18137853
 C   -0.32262684  -1.55065682   1.15176615
 C    0.96479483   1.30828603   1.10266152
 C    0.99275621  -1.24505311   1.17180850
 C    1.67743143  -0.00000000   0.66874326
 H   -2.40257431  -1.22177420   0.70148255
 H   -2.45650591   1.14326086   0.78487855
 H   -0.65948089   2.52797139   1.54252026
 H   -0.58117830  -2.55847090   1.48881694
 H    1.64683237   2.09996117   1.41522192
 H    1.67479924  -1.96126311   1.63541848
 H    2.68554744   0.02736153   1.10365434
 C    1.79957593   0.30069148  -0.77693103
 C    0.69364854   0.19971976  -1.73348496
 H    0.80609331  -0.80275595  -2.20448533
 H   -0.30263028   0.21041152  -1.27955153
 H    0.78843036   0.92386035  -2.55361439
 C    3.15175717   0.60890602  -1.28747709
 H    3.67727935   1.36144914  -0.67802919
 H    3.74534181  -0.31760409  -1.13860806
 H    3.17436389   0.89584165  -2.34292281
 23
 Energy -388.1640351716
 C   -1.44992232  -0.70597987   0.83868886
 C   -1.48175720   0.66378938   0.88223740
 C   -0.37988815   1.53246996   1.18246847
 C   -0.32338911  -1.54851323   1.15423879
 C    0.96490683   1.30487571   1.10519883
 C    0.99237216  -1.24664194   1.17147738
 C    1.67767783  -0.00000000   0.66569031
 H   -2.40292082  -1.22009012   0.69792262
 H   -2.45515749   1.14621208   0.77881657
 H   -0.65632422   2.52739167   1.54491918
 H   -0.58304825  -2.55488914   1.49514867
 H    1.64822840   2.09525099   1.41857001
 H    1.67507379  -1.96379200   1.63254657
 H    2.68522930   0.02559968   1.10249047
 C    1.81058219   0.27053446  -0.78631757
 C    0.70156646   0.18722263  -1.73926591
 H    0.80717533  -0.81243196  -2.21841131
 H   -0.29365142   0.20719394  -1.28454491
 H    0.80541533   0.91275107  -2.55791959
 C    3.16819183   0.53702678  -1.30122348
 H    3.69635568   1.30980810  -0.71861345
 H    3.75308242  -0.38632156  -1.10726592
 H    3.20077517   0.78220997  -2.36687965
 23
 Energy -388.1629924645
 C   -1.45104676  -0.70381674   0.83823133
 C   -1.48186419   0.66505601   0.88005131
 C   -0.37820240   1.53201719   1.18352193
 C   -0.32410681  -1.54619059   1.15677069
 C    0.96493839   1.30147574   1.10778608
 C    0.99215635  -1.24854164   1.17069934
 C    1.67812542  -0.00000000   0.66293934
 H   -2.40321581  -1.21843351   0.69453840
 H   -2.45384561   1.14937622   0.77198469
 H   -0.65330969   2.52676255   1.54758802
 H   -0.58480007  -2.55106198   1.50153085
 H    1.64948419   2.09042477   1.42270194
 H    1.67557557  -1.96736361   1.62784073
 H    2.68502184   0.02435131   1.10176492
 C    1.82082570   0.23940329  -0.79459769
 C    0.70933192   0.17244193  -1.74433641
 H    0.81078225  -0.82236866  -2.23497271
 H   -0.28502269   0.19832033  -1.28938450
 H    0.82129864   0.90126698  -2.55986793
 C    3.18277193   0.46354785  -1.31367444
 H    3.71472297   1.25462804  -0.75858467
 H    3.75864409  -0.45524083  -1.07647110
 H    3.22387738   0.66707629  -2.38780182
 23
 Energy -388.1619786689
 C   -1.45249760  -0.70135124   0.83839443
 C   -1.48196200   0.66646289   0.87737331
 C   -0.37631141   1.53148317   1.18449319
 C   -0.32497263  -1.54376983   1.15945010
 C    0.96509164   1.29814436   1.11051010
 C    0.99189680  -1.25096937   1.16904340
 C    1.67875524  -0.00000000   0.66073552
 H   -2.40392516  -1.21665966   0.69229351
 H   -2.45232373   1.15278924   0.76438999
 H   -0.65014924   2.52585969   1.55043183
 H   -0.58672658  -2.54723637   1.50794637
 H    1.65083262   2.08526584   1.42775627
 H    1.67623769  -1.97254704   1.62030289
 H    2.68489876   0.02235609   1.10191716
 C    1.83013036   0.20646817  -0.80194419
 C    0.71660827   0.15435554  -1.74875546
 H    0.81678239  -0.83272409  -2.25482224
 H   -0.27683397   0.18373912  -1.29349306
 H    0.83449136   0.89041514  -2.55811808
 C    3.19517042   0.38821552  -1.32485560
 H    3.73156632   1.19616864  -0.79757364
 H    3.76227077  -0.52405732  -1.04645186
 H    3.24332098   0.55071939  -2.40568404
 23
 Energy -388.1610188881
 C   -1.45442260  -0.69840120   0.83935120
 C   -1.48182515   0.66826444   0.87418793
 C   -0.37384004   1.53116736   1.18500076
 C   -0.32638702  -1.54134353   1.16228255
 C    0.96565228   1.29463266   1.11389198
 C    0.99132684  -1.25431976   1.16638804
 C    1.67949571  -0.00000000   0.65889753
 H   -2.40537839  -1.21384525   0.69136574
 H   -2.45017518   1.15723219   0.75533034
 H   -0.64635079   2.52522028   1.55300914
 H   -0.58933359  -2.54314728   1.51488174
 H    1.65265084   2.07931768   1.43503510
 H    1.67685188  -1.97981746   1.60924883
 H    2.68490670   0.02017085   1.10225396
 C    1.83849347   0.17116934  -0.80798442
 C    0.72316856   0.13219192  -1.75209643
 H    0.82547417  -0.84292132  -2.28000791
 H   -0.26929583   0.16094792  -1.29632125
 H    0.84625695   0.88019814  -2.55101872
 C    3.20543387   0.31118714  -1.33415578
 H    3.74604156   1.13456044  -0.83446491
 H    3.76460556  -0.59287506  -1.01629039
 H    3.25960928   0.43292507  -2.42004224
 23
 Energy -388.1601030052
 C   -1.45695902  -0.69508899   0.84137997
 C   -1.48133645   0.67019849   0.87016404
 C   -0.37064924   1.53111348   1.18486041
 C   -0.32832025  -1.53896875   1.16561150
 C    0.96658087   1.29089873   1.11827414
 C    0.99036917  -1.25815293   1.16221437
 C    1.68031496  -0.00000000   0.65749556
 H   -2.40736555  -1.21090070   0.69141167
 H   -2.44735593   1.16197594   0.74461177
 H   -0.64216136   2.52432629   1.55579576
 H   -0.59219024  -2.53921040   1.52236774
 H    1.65499802   2.07175097   1.44594273
 H    1.67744247  -1.98921059   1.59328454
 H    2.68513893   0.01736524   1.10273766
 C    1.84544640   0.13344051  -0.81278754
 C    0.72870746   0.10547946  -1.75457919
 H    0.83519681  -0.85277067  -2.31017690
 H   -0.26275943   0.13117235  -1.29812523
 H    0.85349220   0.87130624  -2.53801992
 C    3.21294926   0.23325366  -1.34172386
 H    3.75637704   1.07133493  -0.86840708
 H    3.76580032  -0.66033254  -0.98676003
 H    3.27203938   0.31636238  -2.43097584
 23
 Energy -388.1592818639
 C   -1.46104066  -0.69065100   0.84472546
 C   -1.47984161   0.67303952   0.86517786
 C   -0.36535323   1.53116386   1.18390598
 C   -0.33228915  -1.53635742   1.16933167
 C    0.96901247   1.28668313   1.12408304
 C    0.98816672  -1.26387808   1.15633758
 C    1.68134545  -0.00000000   0.65643842
 H   -2.41194550  -1.20535446   0.69500857
 H   -2.44254272   1.16936316   0.73207124
 H   -0.63564509   2.52412874   1.55671835
 H   -0.59775571  -2.53396925   1.53251686
 H    1.65886023   2.06248794   1.46134432
 H    1.67683001  -2.00177655   1.57270535
 H    2.68570725   0.01357211   1.10308633
 C    1.85044386   0.09128614  -0.81615087
 C    0.73256807   0.07399970  -1.75594028
 H    0.84325481  -0.86235864  -2.34513964
 H   -0.25843175   0.09646603  -1.29984360
 H    0.86289145   0.86191259  -2.51831456
 C    3.21751564   0.15375661  -1.34749962
 H    3.76171400   1.00507007  -0.89757887
 H    3.76666526  -0.72808478  -0.95985823
 H    3.28069401   0.20078764  -2.43862801
 23
 Energy -388.1586600449
 C   -1.46647563  -0.68554263   0.84900391
 C   -1.47682404   0.67659617   0.85981066
 C   -0.35740873   1.53150127   1.18167083
 C   -0.33895901  -1.53394038   1.17351840
 C    0.97327705   1.28175885   1.13133208
 C    0.98404999  -1.27037326   1.14882317
 C    1.68234039  -0.00000000   0.65584092
 H   -2.41869707  -1.19782647   0.70005265
 H   -2.43578399   1.17838740   0.72037554
 H   -0.62647038   2.52365535   1.55752565
 H   -0.60566427  -2.52952243   1.54191903
 H    1.66448100   2.04898534   1.48533062
 H    1.67448415  -2.01772257   1.54463220
 H    2.68622707   0.00710239   1.10379538
 C    1.85389854   0.04645535  -0.81768675
 C    0.73480272   0.03936092  -1.75570220
 H    0.85009169  -0.86661911  -2.38690832
 H   -0.25547753   0.05650219  -1.29927282
 H    0.86940555   0.85802393  -2.48720326
 C    3.22011301   0.07541533  -1.35058763
 H    3.76168647   0.93948947  -0.91971824
 H    3.76906565  -0.79338319  -0.93608093
 H    3.28672815   0.09230475  -2.44231623
 23
 Energy -388.1583664635
 C   -1.47207226  -0.68055885   0.85387844
 C   -1.47222692   0.68081735   0.85453289
 C   -0.34790736   1.53248875   1.17811811
 C   -0.34776708  -1.53228869   1.17792340
 C    0.97853318   1.27587130   1.13958607
 C    0.97867005  -1.27632989   1.14011709
 C    1.68277036  -0.00000000   0.65584397
 H   -2.42709848  -1.18828461   0.70835537
 H   -2.42741524   1.18837983   0.70953305
 H   -0.61547023   2.52594287   1.55162298
 H   -0.61576383  -2.52526059   1.55252604
 H    1.67032113   2.03343431   1.51306937
 H    1.67024723  -2.03335798   1.51494578
 H    2.68642316  -0.00042524   1.10445114
 C    1.85537382  -0.00063758  -0.81792766
 C    0.73582868   0.00215745  -1.75523580
 H    0.85127150  -0.87351695  -2.42503366
 H   -0.25387011   0.01727320  -1.29802848
 H    0.86986056   0.85255846  -2.45246843
 C    3.22103786  -0.00385793  -1.35129377
 H    3.75842231   0.87365187  -0.94008651
 H    3.77280616  -0.85838710  -0.91376063
 H    3.28916622  -0.01665544  -2.44292474
 23
 Energy -388.1586362902
 C   -1.47694262  -0.67596790   0.85919284
 C   -1.46658025   0.68612400   0.84972061
 C   -0.33868838   1.53427626   1.17376697
 C   -0.35764284  -1.53112018   1.18140869
 C    0.98402388   1.26914239   1.14803270
 C    0.97319952  -1.28245458   1.13161742
 C    1.68263068  -0.00000000   0.65626074
 H   -2.43583190  -1.17780002   0.71941854
 H   -2.41887043   1.19845762   0.70140157
 H   -0.60450796   2.53042686   1.54102014
 H   -0.62725877  -2.52266638   1.55862079
 H    1.67471085   2.01708600   1.54255887
 H    1.66405762  -2.04951495   1.48653677
 H    2.68625235  -0.00822594   1.10480981
 C    1.85435844  -0.04888450  -0.81710066
 C    0.73518239  -0.03539684  -1.75519735
 H    0.84563355  -0.88369800  -2.45734195
 H   -0.25457685  -0.01732491  -1.29795456
 H    0.87256021   0.84338493  -2.41831898
 C    3.22028817  -0.08503262  -1.34994436
 H    3.75471648   0.80621925  -0.96269215
 H    3.77617445  -0.92511695  -0.89268055
 H    3.28703886  -0.12828446  -2.44091054
 23
 Energy -388.1593023971
 C   -1.48008546  -0.67253334   0.86503791
 C   -1.46144492   0.69106673   0.84524533
 C   -0.33225600   1.53651966   1.16933275
 C   -0.36543941  -1.53072416   1.18350274
 C    0.98801665   1.26300666   1.15562381
 C    0.96914971  -1.28733553   1.12402800
 C    1.68205944  -0.00000000   0.65722944
 H   -2.44261150  -1.16915359   0.73178099
 H   -2.41241963   1.20582903   0.69623038
 H   -0.59691369   2.53467653   1.53146881
 H   -0.63604479  -2.52317270   1.55755926
 H    1.67675895   2.00160069   1.57074825
 H    1.65860686  -2.06328947   1.46162275
 H    2.68594287  -0.01434469   1.10486737
 C    1.85117103  -0.09391107  -0.81484596
 C    0.73309567  -0.07032456  -1.75490196
 H    0.84012242  -0.89058816  -2.48724137
 H   -0.25729596  -0.05381721  -1.29795653
 H    0.86935413   0.83756729  -2.38058845
 C    3.21775343  -0.16407768  -1.34640935
 H    3.75204768   0.73989901  -0.98744259
 H    3.77644168  -0.99016905  -0.86993993
 H    3.28111818  -0.23842943  -2.43596468
 23
 Energy -388.1601424342
 C   -1.48176007  -0.66988002   0.87032130
 C   -1.45753287   0.69527112   0.84193369
 C   -0.32835225   1.53900010   1.16518512
 C   -0.37072288  -1.53075221   1.18442604
 C    0.99034967   1.25793302   1.16165939
 C    0.96674334  -1.29157202   1.11786893
 C    1.68127505  -0.00000000   0.65860555
 H   -2.44765448  -1.16196194   0.74512702
 H   -2.40797156   1.21117348   0.69254442
 H   -0.59182707   2.53967853   1.52099321
 H   -0.64236084  -2.52364651   1.55627787
 H    1.67731441   1.98994086   1.59138505
 H    1.65468595  -2.07294363   1.44532894
 H    2.68560492  -0.01830814   1.10481136
 C    1.84595375  -0.13549966  -0.81109392
 C    0.72951675  -0.10223043  -1.75369850
 H    0.83557048  -0.89821214  -2.51031162
 H   -0.26199590  -0.09174077  -1.29755296
 H    0.86142349   0.83052824  -2.34461949
 C    3.21281320  -0.24263234  -1.34041794
 H    3.75160152   0.67155392  -1.01491835
 H    3.77020544  -1.05540089  -0.84157425
 H    3.27166427  -0.35326512  -2.42720526
 23
 Energy -388.1611099945
 C   -1.48244349  -0.66781198   0.87448531
 C   -1.45462960   0.69866856   0.83997521
 C   -0.32606059   1.54158684   1.16166743
 C   -0.37435524  -1.53099471   1.18448123
 C    0.99155300   1.25399534   1.16582905
 C    0.96551103  -1.29544407   1.11328111
 C    1.68042485  -0.00000000   0.66028070
 H   -2.45090030  -1.15665005   0.75607749
 H   -2.40546377   1.21448040   0.69241590
 H   -0.58854705   2.54393339   1.51292600
 H   -0.64704345  -2.52473158   1.55328237
 H    1.67701626   1.98049170   1.60725093
 H    1.65191500  -2.08076343   1.43395582
 H    2.68530564  -0.02128388   1.10472847
 C    1.83906363  -0.17376833  -0.80593286
 C    0.72450042  -0.13013134  -1.75142852
 H    0.82949020  -0.90647132  -2.52626465
 H   -0.26820069  -0.12443604  -1.29620507
 H    0.85159009   0.82258480  -2.31243665
 C    3.20526118  -0.32051485  -1.33222124
 H    3.75138528   0.60204892  -1.04352946
 H    3.75904900  -1.11928308  -0.80904170
 H    3.25882035  -0.46912713  -2.41477453
 23
 Energy -388.1620793842
 C   -1.48256694  -0.66611837   0.87795215
 C   -1.45263193   0.70156032   0.83900613
 C   -0.32466518   1.54410783   1.15860178
 C   -0.37683747  -1.53143754   1.18381452
 C    0.99212336   1.25090308   1.16855350
 C    0.96497399  -1.29901530   1.10977030
 C    1.67960418  -0.00000000   0.66230162
 H   -2.45309478  -1.15224432   0.76568726
 H   -2.40407073   1.21708411   0.69370251
 H   -0.58611328   2.54813356   1.50561849
 H   -0.65078816  -2.52563167   1.55023386
 H    1.67637934   1.97351574   1.61834927
 H    1.65014225  -2.08679280   1.42651056
 H    2.68514376  -0.02318666   1.10470624
 C    1.83080318  -0.20946578  -0.79953018
 C    0.71835099  -0.15361335  -1.74810133
 H    0.82067773  -0.91505482  -2.53649951
 H   -0.27547214  -0.15098069  -1.29363452
 H    0.84228382   0.81405824  -2.28434520
 C    3.19517653  -0.39713652  -1.32229447
 H    3.74962916   0.53186420  -1.07250918
 H    3.74457297  -1.18088815  -0.77355964
 H    3.24251568  -0.58550839  -2.39893062
 23
 Energy -388.1631109607
 C   -1.48249004  -0.66468395   0.88067403
 C   -1.45123333   0.70409538   0.83890006
 C   -0.32372664   1.54645357   1.15582556
 C   -0.37873866  -1.53190867   1.18286867
 C    0.99244317   1.24844559   1.17019502
 C    0.96481952  -1.30240192   1.10688135
 C    1.67892597  -0.00000000   0.66465528
 H   -2.45468430  -1.14879513   0.77369932
 H   -2.40342247   1.21899414   0.69620978
 H   -0.58408892   2.55191822   1.49901874
 H   -0.65397171  -2.52659490   1.54710226
 H    1.67571170   1.96833594   1.62593704
 H    1.64871341  -2.09209204   1.42123907
 H    2.68515290  -0.02497180   1.10494391
 C    1.82148278  -0.24289682  -0.79203647
 C    0.71135365  -0.17294319  -1.74381789
 H    0.80937433  -0.92364054  -2.54156940
 H   -0.28329617  -0.17057418  -1.28961664
 H    0.83413581   0.80581328  -2.26027623
 C    3.18278419  -0.47222295  -1.31070088
 H    3.74652409   0.46157773  -1.10181463
 H    3.72761620  -1.23937262  -0.73597847
 H    3.22276731  -0.70073547  -2.37983142
 23
 Energy -388.1641805419
 C   -1.48237539  -0.66341423   0.88293406
 C   -1.45006850   0.70628463   0.83926538
 C   -0.32300616   1.54874909   1.15330677
 C   -0.38046314  -1.53239295   1.18181165
 C    0.99268870   1.24655244   1.17103948
 C    0.96478381  -1.30577898   1.10428667
 C    1.67844071  -0.00000000   0.66735596
 H   -2.45599587  -1.14559577   0.78058679
 H   -2.40300570   1.22073602   0.69932425
 H   -0.58230218   2.55571189   1.49268373
 H   -0.65703630  -2.52729714   1.54428508
 H    1.67521256   1.96466751   1.63089829
 H    1.64742221  -2.09691227   1.41715224
 H    2.68534186  -0.02638344   1.10553438
 C    1.81122817  -0.27463481  -0.78348335
 C    0.70377335  -0.18886421  -1.73867540
 H    0.79558811  -0.93305724  -2.54228392
 H   -0.29178920  -0.18348857  -1.28504049
 H    0.82840524   0.79717209  -2.24019931
 C    3.16828164  -0.54566368  -1.29772492
 H    3.74162065   0.39093394  -1.13170477
 H    3.70898097  -1.29506495  -0.69731464
 H    3.19948416  -0.81493966  -2.35760220
 23
 Energy -388.1652990478
 C   -1.48230026  -0.66226406   0.88490648
 C   -1.44907404   0.70827918   0.84006276
 C   -0.32233433   1.55101643   1.15077665
 C   -0.38210756  -1.53293138   1.18070181
 C    0.99297467   1.24507254   1.17138103
 C    0.96472692  -1.30917271   1.10172644
 C    1.67811461  -0.00000000   0.67044482
 H   -2.45723973  -1.14275509   0.78676180
 H   -2.40274823   1.22216613   0.70295857
 H   -0.58063354   2.55935361   1.48635360
 H   -0.66010483  -2.52794745   1.54180777
 H    1.67483267   1.96215132   1.63396390
 H    1.64614029  -2.10157253   1.41368007
 H    2.68567194  -0.02798747   1.10651432
 C    1.80016268  -0.30498392  -0.77389288
 C    0.69591832  -0.20216421  -1.73287015
 H    0.78028875  -0.94276706  -2.53960779
 H   -0.30047649  -0.19105295  -1.27996921
 H    0.82531806   0.78851516  -2.22344643
 C    3.15185438  -0.61738734  -1.28349259
 H    3.73481051   0.32035903  -1.16210167
 H    3.68917996  -1.34740526  -0.65793981
 H    3.17282098  -0.92761239  -2.33239737
 23
 Energy -388.1664376474
 C   -1.48230600  -0.66122058   0.88678502
 C   -1.44817848   0.71011156   0.84105650
 C   -0.32170597   1.55323997   1.14820766
 C   -0.38378055  -1.53343815   1.17959500
 C    0.99329135   1.24388873   1.17140649
 C    0.96466381  -1.31258150   1.09904706
 C    1.67801585  -0.00000000   0.67390230
 H   -2.45844786  -1.13999562   0.79263654
 H   -2.40264593   1.22352679   0.70707523
 H   -0.57899311   2.56307618   1.47985256
 H   -0.66306049  -2.52853012   1.53947421
 H    1.67459567   1.96050878   1.63570185
 H    1.64470464  -2.10594507   1.41102283
 H    2.68617877  -0.02950889   1.10799193
 C    1.78851915  -0.33424615  -0.76329049
 C    0.68812176  -0.21352353  -1.72643106
 H    0.76404011  -0.95181729  -2.53546823
 H   -0.30932996  -0.19460363  -1.27488613
 H    0.82389388   0.78026533  -2.20778691
 C    3.13380214  -0.68727205  -1.26802389
 H    3.72570169   0.24966474  -1.19276951
 H    3.66898126  -1.39654742  -0.61820304
 H    3.14301481  -1.03863497  -2.30403225
 23
 Energy -388.1676009061
 C   -1.48253460  -0.66013410   0.88875313
 C   -1.44726196   0.71197661   0.84217117
 C   -0.32089367   1.55539125   1.14547426
 C   -0.38567479  -1.53385429   1.17849176
 C    0.99383656   1.24283112   1.17126534
 C    0.96447252  -1.31621061   1.09604107
 C    1.67805589  -0.00000000   0.67780329
 H   -2.45993775  -1.13719415   0.79867002
 H   -2.40236639   1.22506825   0.71134793
 H   -0.57718066   2.56673858   1.47278248
 H   -0.66628244  -2.52897977   1.53743396
 H    1.67457854   1.95944596   1.63654399
 H    1.64296964  -2.11051145   1.40856037
 H    2.68680651  -0.03144380   1.10976657
 C    1.77562484  -0.36361740  -0.75132119
 C    0.68013320  -0.22384600  -1.71935963
 H    0.74682150  -0.96118662  -2.52931686
 H   -0.31857806  -0.19504626  -1.27018753
 H    0.82545833   0.77172925  -2.19343876
 C    3.11488446  -0.75536790  -1.25151772
 H    3.71757432   0.17714194  -1.22517148
 H    3.64853541  -1.44396809  -0.57963380
 H    3.10865330  -1.14894018  -2.27234918
 23
 Energy -388.1688337464
 C   -1.48288042  -0.65905325   0.89083128
 C   -1.44636294   0.71372636   0.84335256
 C   -0.32003066   1.55752628   1.14252467
 C   -0.38768494  -1.53433130   1.17743935
 C    0.99449954   1.24203868   1.17105642
 C    0.96412580  -1.31990675   1.09268725
 C    1.67833364  -0.00000000   0.68210846
 H   -2.46149383  -1.13431832   0.80488514
 H   -2.40207260   1.22663468   0.71559201
 H   -0.57538551   2.57050035   1.46529029
 H   -0.66960034  -2.52934046   1.53557449
 H    1.67464137   1.95902636   1.63683902
 H    1.64106635  -2.11510835   1.40572799
 H    2.68749932  -0.03341194   1.11249291
 C    1.76294904  -0.39214124  -0.73844101
 C    0.67248358  -0.23340652  -1.71164698
 H    0.72936499  -0.97208089  -2.52072194
 H   -0.32736965  -0.19318592  -1.26511055
 H    0.82953763   0.76172393  -2.18143286
 C    3.09382524  -0.82237662  -1.23373901
 H    3.70341486   0.10571452  -1.25566295
 H    3.62763060  -1.48781811  -0.53990975
 H    3.07336057  -1.25612561  -2.23800751
 23
 Energy -388.1700774209
 C   -1.48331463  -0.65803212   0.89298231
 C   -1.44551431   0.71540907   0.84463004
 C   -0.31912660   1.55966226   1.13936883
 C   -0.38981012  -1.53479523   1.17644815
 C    0.99524947   1.24139705   1.17073945
 C    0.96362379  -1.32364103   1.08898182
 C    1.67889239  -0.00000000   0.68684938
 H   -2.46318030  -1.13150114   0.81114106
 H   -2.40175487   1.22811114   0.71988526
 H   -0.57353724   2.57421389   1.45749747
 H   -0.67296818  -2.52979708   1.53377880
 H    1.67476736   1.95901895   1.63656691
 H    1.63895499  -2.11968137   1.40294247
 H    2.68829441  -0.03570120   1.11596409
 C    1.74996821  -0.41989948  -0.72459468
 C    0.66545132  -0.24240366  -1.70342751
 H    0.71226215  -0.98313113  -2.51074004
 H   -0.33542357  -0.18964179  -1.25991639
 H    0.83487549   0.75128854  -2.17060055
 C    3.07122908  -0.88796230  -1.21432074
 H    3.68602596   0.03433102  -1.28450413
 H    3.60695690  -1.52833395  -0.49966871
 H    3.03618783  -1.36086508  -2.20041346
 23
 Energy -388.171353231
 C   -1.48399332  -0.65692580   0.89532591
 C   -1.44454015   0.71721396   0.84597512
 C   -0.31798098   1.56178455   1.13590652
 C   -0.39231537  -1.53515507   1.17555118
 C    0.99628928   1.24076583   1.17037615
 C    0.96290993  -1.32768351   1.08469608
 C    1.67963062  -0.00000000   0.69216903
 H   -2.46514137  -1.12838234   0.81785859
 H   -2.40135955   1.22983969   0.72473119
 H   -0.57133406   2.57812863   1.44888296
 H   -0.67673647  -2.53000227   1.53226679
 H    1.67514770   1.95932304   1.63592885
 H    1.63635022  -2.12447606   1.40023579
 H    2.68923137  -0.03830722   1.11995494
 C    1.73575862  -0.44832718  -0.70904963
 C    0.65854772  -0.25145339  -1.69470614
 H    0.69552796  -0.99505317  -2.49961453
 H   -0.34361919  -0.18547351  -1.25543432
 H    0.84236273   0.73975087  -2.16002836
 C    3.04843247  -0.95187809  -1.19346678
 H    3.67034943  -0.04016389  -1.31456097
 H    3.58650188  -1.56808748  -0.46028177
 H    2.99521435  -1.46515028  -2.15849654
 23
 Energy -388.1726598809
 C   -1.48487523  -0.65571244   0.89792972
 C   -1.44343656   0.71911811   0.84734824
 C   -0.31664821   1.56397264   1.13200992
 C   -0.39519565  -1.53547506   1.17482177
 C    0.99753792   1.24017629   1.17007741
 C    0.96194329  -1.33207956   1.07965403
 C    1.68067443  -0.00000000   0.69815893
 H   -2.46747632  -1.12493999   0.82528349
 H   -2.40067476   1.23186907   0.72964168
 H   -0.56881790   2.58222250   1.43930506
 H   -0.68100116  -2.53004014   1.53138753
 H    1.67566925   1.95990018   1.63504104
 H    1.63337696  -2.12937962   1.39764344
 H    2.69021869  -0.04114511   1.12518606
 C    1.72130376  -0.47718630  -0.69183662
 C    0.65206493  -0.26124284  -1.68517254
 H    0.67936389  -1.00818765  -2.48699556
 H   -0.35159624  -0.18111350  -1.25154799
 H    0.85175028   0.72642907  -2.14988999
 C    3.02461914  -1.01485546  -1.17116743
 H    3.65164109  -0.11513449  -1.34268620
 H    3.56605951  -1.60595217  -0.42075570
 H    2.95291552  -1.56700983  -2.11339229
 23
 Energy -388.1739924985
 C   -1.48602476  -0.65434149   0.90084529
 C   -1.44216854   0.72123248   0.84871968
 C   -0.31504411   1.56621213   1.12759514
 C   -0.39858743  -1.53567457   1.17436034
 C    0.99909293   1.23952414   1.16990229
 C    0.96066624  -1.33695268   1.07363841
 C    1.68206566  -0.00000000   0.70493885
 H   -2.47018171  -1.12101457   0.83347268
 H   -2.39966190   1.23443860   0.73439508
 H   -0.56591349   2.58660875   1.42851678
 H   -0.68581432  -2.52972993   1.53122498
 H    1.67634626   1.96064984   1.63420033
 H    1.62972647  -2.13454688   1.39525269
 H    2.69129322  -0.04455309   1.13159371
 C    1.70595133  -0.50700431  -0.67261383
 C    0.64599575  -0.27206955  -1.67476368
 H    0.66385691  -1.02337664  -2.47262743
 H   -0.35927408  -0.17724654  -1.24785042
 H    0.86274899   0.71082090  -2.14005556
 C    3.00029913  -1.07658686  -1.14720094
 H    3.63132158  -0.19145123  -1.36876250
 H    3.54636696  -1.64280698  -0.38167833
 H    2.90878976  -1.66663210  -2.06461847
 23
 Energy -388.1753787265
 C   -1.48754341  -0.65273755   0.90420760
 C   -1.44058302   0.72373412   0.84995664
 C   -0.31303726   1.56852528   1.12259280
 C   -0.40274765  -1.53564332   1.17426175
 C    1.00107237   1.23863289   1.16994948
 C    0.95893871  -1.34251143   1.06638815
 C    1.68390028  -0.00000000   0.71264360
 H   -2.47353324  -1.11638102   0.84283103
 H   -2.39814629   1.23770505   0.73907692
 H   -0.56235664   2.59129212   1.41626805
 H   -0.69151493  -2.52893994   1.53225275
 H    1.67725345   1.96126704   1.63368734
 H    1.62513528  -2.14004768   1.39350490
 H    2.69255261  -0.04846101   1.13936859
 C    1.68976342  -0.53826515  -0.65095569
 C    0.64027912  -0.28445309  -1.66332334
 H    0.64895335  -1.04102117  -2.45615201
 H   -0.36673974  -0.17394181  -1.24468213
 H    0.87556115   0.69223443  -2.13074388
 C    2.97564878  -1.13716944  -1.12130046
 H    3.60946477  -0.26845524  -1.39162824
 H    3.52703852  -1.67885974  -0.34248256
 H    2.86396859  -1.76349243  -2.01224678
 23
 Energy -388.1768310392
 C   -1.48947985  -0.65071110   0.90814424
 C   -1.43860413   0.72675338   0.85097014
 C   -0.31051581   1.57094856   1.11686012
 C   -0.40785391  -1.53535675   1.17466520
 C    1.00359552   1.23734252   1.17035458
 C    0.95661233  -1.34897663   1.05756836
 C    1.68624586  -0.00000000   0.72143733
 H   -2.47757573  -1.11066678   0.85372361
 H   -2.39597002   1.24196508   0.74340742
 H   -0.55790664   2.59640907   1.40235591
 H   -0.69840808  -2.52734521   1.53492589
 H    1.67850939   1.96149351   1.63389003
 H    1.61933943  -2.14589100   1.39255131
 H    2.69387035  -0.05330968   1.14904107
 C    1.67251589  -0.57128597  -0.62638580
 C    0.63514661  -0.29876717  -1.65073724
 H    0.63489211  -1.06183082  -2.43736620
 H   -0.37386198  -0.17146379  -1.24228282
 H    0.89095120   0.66996166  -2.12167957
 C    2.95109196  -1.19639742  -1.09329785
 H    3.58659652  -0.34598817  -1.41015466
 H    3.50836950  -1.71473948  -0.30322648
 H    2.81902240  -1.85659006  -1.95684896
 23
 Energy -388.178379297
 C   -1.49183034  -0.64809021   0.91252266
 C   -1.43618591   0.73049364   0.85181883
 C   -0.30738604   1.57346872   1.11029050
 C   -0.41412804  -1.53466345   1.17587234
 C    1.00678556   1.23547843   1.17116838
 C    0.95354853  -1.35668715   1.04684678
 C    1.68919622  -0.00000000   0.73148050
 H   -2.48244529  -1.10353722   0.86622677
 H   -2.39322468   1.24722852   0.74796007
 H   -0.55228096   2.60196303   1.38647939
 H   -0.70677432  -2.52470108   1.54016322
 H    1.68007500   1.96116593   1.63498238
 H    1.61204217  -2.15220943   1.39279688
 H    2.69514245  -0.05923332   1.16112340
 C    1.65424354  -0.60648455  -0.59867390
 C    0.63061333  -0.31519191  -1.63684699
 H    0.62154823  -1.08592961  -2.41590759
 H   -0.38046101  -0.16994378  -1.24051890
 H    0.90862712   0.64374046  -2.11289957
 C    2.92710542  -1.25394104  -1.06323202
 H    3.56296243  -0.42248243  -1.42343849
 H    3.49040159  -1.75063657  -0.26387928
 H    2.77508917  -1.94520090  -1.89899784
 23
 Energy -388.1800918908
 C   -1.49464018  -0.64484290   0.91735476
 C   -1.43314940   0.73522716   0.85240418
 C   -0.30354601   1.57611944   1.10285346
 C   -0.42183180  -1.53344677   1.17807849
 C    1.01076843   1.23284058   1.17246304
 C    0.94955446  -1.36589747   1.03399354
 C    1.69284448  -0.00000000   0.74285249
 H   -2.48820171  -1.09468367   0.88062515
 H   -2.38965546   1.25398611   0.75270078
 H   -0.54512477   2.60804303   1.36860313
 H   -0.71695220  -2.52046221   1.54877114
 H    1.68211056   1.96006139   1.63714578
 H    1.60299344  -2.15878859   1.39486681
 H    2.69652447  -0.06593961   1.17553854
 C    1.63479485  -0.64380001  -0.56778055
 C    0.62678299  -0.33370497  -1.62170311
 H    0.60889361  -1.11325721  -2.39195238
 H   -0.38636565  -0.16956607  -1.23929012
 H    0.92841868   0.61348341  -2.10423742
 C    2.90411409  -1.30929613  -1.03139141
 H    3.53924677  -0.49691469  -1.43054879
 H    3.47330879  -1.78663776  -0.22457994
 H    2.73332988  -2.02832010  -1.84000815
 23
 Energy -388.1820404372
 C   -1.49794569  -0.64082162   0.92268860
 C   -1.42933835   0.74114673   0.85258154
 C   -0.29886870   1.57885093   1.09459914
 C   -0.43118502  -1.53161011   1.18142483
 C    1.01579078   1.22922134   1.17428196
 C    0.94439573  -1.37678724   1.01888536
 C    1.69715122  -0.00000000   0.75553857
 H   -2.49498926  -1.08380583   0.89714463
 H   -2.38490702   1.26260738   0.75717453
 H   -0.53621305   2.61458226   1.34862563
 H   -0.72920726  -2.51439967   1.56142491
 H    1.68486634   1.95787328   1.64047725
 H    1.59189156  -2.16546821   1.39924460
 H    2.69800373  -0.07383644   1.19205880
 C    1.61412241  -0.68316168  -0.53395464
 C    0.62382378  -0.35401737  -1.60558158
 H    0.59740824  -1.14300781  -2.36612056
 H   -0.39136458  -0.17050035  -1.23898309
 H    0.95027255   0.57986124  -2.09528039
 C    2.88247023  -1.36195089  -0.99827175
 H    3.51626778  -0.56770545  -1.43124094
 H    3.45683429  -1.82293207  -0.18566957
 H    2.69451138  -2.10484490  -1.78137854
 23
 Energy -388.1843155243
 C   -1.50163225  -0.63592329   0.92843373
 C   -1.42473750   0.74830704   0.85230226
 C   -0.29336175   1.58158169   1.08573536
 C   -0.44212990  -1.52912245   1.18593935
 C    1.02191667   1.22466897   1.17646986
 C    0.93789669  -1.38951194   1.00171137
 C    1.70204804  -0.00000000   0.76940808
 H   -2.50261053  -1.07062536   0.91582458
 H   -2.37905359   1.27306419   0.76126720
 H   -0.52530772   2.62149923   1.32684919
 H   -0.74332699  -2.50615311   1.57841928
 H    1.68843002   1.95472915   1.64473385
 H    1.57863757  -2.17211178   1.40571036
 H    2.69954383  -0.08275267   1.21048667
 C    1.59252262  -0.72406264  -0.49812238
 C    0.62174534  -0.37548016  -1.58873496
 H    0.58685595  -1.17421670  -2.33904918
 H   -0.39520563  -0.17218684  -1.23905227
 H    0.97372410   0.54362683  -2.08585669
 C    2.86223530  -1.41161256  -0.96446409
 H    3.49428693  -0.63436108  -1.42623339
 H    3.44087714  -1.85913084  -0.14724518
 H    2.65872001  -2.17485240  -1.72418482
 23
 Energy -388.1868573028
 C   -1.50557206  -0.63004889   0.93457752
 C   -1.41930311   0.75681768   0.85167149
 C   -0.28701761   1.58438194   1.07631774
 C   -0.45456500  -1.52609746   1.19135117
 C    1.02922783   1.21932828   1.17891545
 C    0.92972628  -1.40438153   0.98292087
 C    1.70750367  -0.00000000   0.78424575
 H   -2.51090979  -1.05504830   0.93705466
 H   -2.37201959   1.28536275   0.76528323
 H   -0.51241396   2.62876358   1.30342415
 H   -0.75919358  -2.49576493   1.59955088
 H    1.69297871   1.95091727   1.64931334
 H    1.56346823  -2.17897868   1.41338889
 H    2.70126164  -0.09231229   1.23029571
 C    1.57016670  -0.76565751  -0.46172855
 C    0.62027914  -0.39743355  -1.57136081
 H    0.57618740  -1.20589565  -2.31109726
 H   -0.39771571  -0.17352177  -1.23903268
 H    0.99857771   0.50556399  -2.07604544
 C    2.84272111  -1.45879534  -0.93050622
 H    3.47310407  -0.69727416  -1.41707166
 H    3.42475590  -1.89495214  -0.10939410
 H    2.62504932  -2.23942590  -1.66872199
 23
 Energy -388.1894872657
 C   -1.50957608  -0.62300876   0.94123573
 C   -1.41311841   0.76663893   0.85097354
 C   -0.27975831   1.58738965   1.06611956
 C   -0.46823382  -1.52282588   1.19720787
 C    1.03775470   1.21359882   1.18158177
 C    0.91948603  -1.42179277   0.96298536
 C    1.71344586  -0.00000000   0.79989616
 H   -2.51950544  -1.03681660   0.96162849
 H   -2.36393744   1.29946712   0.76964143
 H   -0.49770011   2.63645302   1.27796440
 H   -0.77643982  -2.48328148   1.62423498
 H    1.69873869   1.94686164   1.65386619
 H    1.54659395  -2.18677464   1.42059732
 H    2.70342211  -0.10253859   1.25060794
 C    1.54737993  -0.80704578  -0.42622403
 C    0.61907644  -0.41916251  -1.55355682
 H    0.56444362  -1.23728352  -2.28245699
 H   -0.39876476  -0.17295920  -1.23833307
 H    1.02456685   0.46605143  -2.06619014
 C    2.82306396  -1.50402722  -0.89663500
 H    3.45174914  -0.75783820  -1.40573647
 H    3.40796507  -1.92970819  -0.07182309
 H    2.59239972  -2.30025451  -1.61450630
 23
 Energy -388.1918499053
 C   -1.51334542  -0.61445111   0.94892473
 C   -1.40625269   0.77773785   0.85030004
 C   -0.27141092   1.59101088   1.05483787
 C   -0.48270037  -1.51989457   1.20278763
 C    1.04742394   1.20817670   1.18454558
 C    0.90642046  -1.44257972   0.94243053
 C    1.71986500  -0.00000000   0.81617361
 H   -2.52795683  -1.01547450   0.99086700
 H   -2.35486042   1.31521787   0.77455514
 H   -0.48116196   2.64488852   1.24996826
 H   -0.79487905  -2.46921818   1.65135573
 H    1.70573477   1.94311208   1.65852483
 H    1.52768606  -2.19772375   1.42489877
 H    2.70605176  -0.11363268   1.27122414
 C    1.52497483  -0.84645468  -0.39321082
 C    0.61812947  -0.43940864  -1.53543071
 H    0.54968197  -1.26711124  -2.25283244
 H   -0.39739791  -0.16732125  -1.23590505
 H    1.05273079   0.42553018  -2.05673884
 C    2.80254921  -1.54746843  -0.86280488
 H    3.42939245  -0.81700578  -1.39429136
 H    3.39032417  -1.96118434  -0.03374377
 H    2.55988311  -2.35910816  -1.55965776
 23
 Energy -388.1934934611
 C   -1.51634540  -0.60362699   0.95863800
 C   -1.39852461   0.79001142   0.84981754
 C   -0.26138346   1.59622245   1.04186452
 C   -0.49776281  -1.51878679   1.20639326
 C    1.05799971   1.20434886   1.18829962
 C    0.88939976  -1.46816892   0.92266393
 C    1.72661683  -0.00000000   0.83232316
 H   -2.53535048  -0.99030281   1.02565511
 H   -2.34474662   1.33221625   0.77958461
 H   -0.46306604   2.65474817   1.21934581
 H   -0.81539342  -2.45552884   1.67691654
 H    1.71372211   1.94027749   1.66487354
 H    1.50606362  -2.21612246   1.42277906
 H    2.70828430  -0.12638973   1.29290648
 C    1.50594663  -0.87850072  -0.36548926
 C    0.61863080  -0.45396030  -1.51774161
 H    0.52826177  -1.29159975  -2.22158862
 H   -0.39007363  -0.14774842  -1.23005966
 H    1.08547390   0.38583453  -2.05075320
 C    2.78176503  -1.58737784  -0.82936449
 H    3.40645902  -0.87550617  -1.38628526
 H    3.37315206  -1.98378657   0.00573153
 H    2.52779397  -2.41703447  -1.50102745
 23
 Energy -388.1943657385
 C   -1.51806966  -0.59180019   0.97048747
 C   -1.39054152   0.80135184   0.84956733
 C   -0.25052172   1.60305538   1.02788954
 C   -0.51165275  -1.52136164   1.20632455
 C    1.06747648   1.20345458   1.19283926
 C    0.87096212  -1.49469997   0.90620426
 C    1.73234701  -0.00000000   0.84668761
 H   -2.54069480  -0.96440717   1.06040613
 H   -2.33449358   1.34774992   0.78240351
 H   -0.44619552   2.66553420   1.18768856
 H   -0.83676565  -2.44813612   1.69119427
 H    1.72084619   1.93854129   1.67438854
 H    1.48372943  -2.24252709   1.41186042
 H    2.70745844  -0.13967405   1.31698655
 C    1.49644901  -0.89367126  -0.34586708
 C    0.62499705  -0.45362690  -1.50386268
 H    0.49775842  -1.30179404  -2.18949099
 H   -0.36887225  -0.09901472  -1.22184109
 H    1.12924271   0.35223384  -2.05403806
 C    2.76700819  -1.61581246  -0.79998167
 H    3.38875127  -0.92630835  -1.38662843
 H    3.36364292  -1.98693618   0.04303472
 H    2.50304843  -2.46729297  -1.44007753
 23
 Energy -388.1948207464
 C   -1.51914998  -0.58331676   0.98359984
 C   -1.38440155   0.80829973   0.84963737
 C   -0.24203553   1.60887460   1.01386690
 C   -0.52140259  -1.52581350   1.20336297
 C    1.07341738   1.20457051   1.19700315
 C    0.85751516  -1.51261458   0.89247013
 C    1.73605711  -0.00000000   0.86005966
 H   -2.54404742  -0.94506786   1.09097732
 H   -2.32667378   1.35759127   0.78276066
 H   -0.43444791   2.67429388   1.15748399
 H   -0.85155348  -2.44911356   1.69138373
 H    1.72418013   1.93904993   1.68327665
 H    1.46686849  -2.26581274   1.39474881
 H    2.70354581  -0.15075355   1.34238629
 C    1.49729186  -0.89280111  -0.33425750
 C    0.64059523  -0.43478930  -1.49590872
 H    0.45900830  -1.29156161  -2.15847635
 H   -0.32866742  -0.01720274  -1.21500824
 H    1.18438352   0.32705589  -2.07049394
 C    2.76458145  -1.62516283  -0.78092069
 H    3.37849136  -0.94980243  -1.39127615
 H    3.36848153  -1.97136718   0.06753719
 H    2.49545657  -2.49474866  -1.39403284
 23
 Energy -388.1950217016
 C   -1.52014026  -0.58062540   0.99516960
 C   -1.38260111   0.80978306   0.85079355
 C   -0.23882108   1.61077089   1.00163796
 C   -0.52465482  -1.52820519   1.19981103
 C    1.07521006   1.20590630   1.19864893
 C    0.85261831  -1.51762968   0.88061506
 C    1.73838890  -0.00000000   0.87332388
 H   -2.54511869  -0.93789730   1.11585694
 H   -2.32423306   1.36032780   0.78505180
 H   -0.42981332   2.67833085   1.13050253
 H   -0.85374918  -2.45258172   1.68650324
 H    1.72274293   1.94298134   1.68549525
 H    1.45985704  -2.27637178   1.37739826
 H    2.70003070  -0.15578768   1.36552263
 C    1.50398532  -0.88489160  -0.32948211
 C    0.66271714  -0.40494736  -1.49318955
 H    0.41561923  -1.26449125  -2.13060457
 H   -0.27217016   0.08496581  -1.21284848
 H    1.24960165   0.30331522  -2.09336481
 C    2.76983155  -1.62203441  -0.77165468
 H    3.38680026  -0.95782963  -1.39082664
 H    3.37358196  -1.96154099   0.07968807
 H    2.49754122  -2.49790125  -1.37471147
