           70
 Energy:   -458.0029912481299    
     C             4.15025             2.05038             0.22023
     C             2.73743             1.68392             0.41149
     C             1.83898             2.86755             0.33224
     C             2.77456             3.98251             0.05180
     C             4.13464             3.49207            -0.04049
     C             5.79469             0.72513             3.19003
     C             4.89994             0.46953             2.02722
     C             5.18666             1.44572             0.98955
     C             6.23128             2.30563             1.49599
     C             6.59887             1.88471             2.86970
     C             1.64706             0.48399             3.68821
     C             1.25560             0.93159             2.36281
     C             2.43913             0.76282             1.44543
     C             3.49301             0.18725             2.22564
     C             3.02612             0.06527             3.61200
     C            -0.04009             4.26155             3.14466
     C             0.39665             4.44048             1.75449
     C             0.80266             3.09287             1.29228
     C             0.42910             2.09924             2.30138
     C            -0.06425             2.80231             3.49692
     C             3.05691             6.88822             2.21253
     C             3.52754             6.17533             1.02651
     C             2.45461             5.28974             0.57201
     C             1.22578             5.54873             1.37309
     C             1.64397             6.47154             2.48212
     C             6.66412             4.62441             2.23908
     C             6.32069             3.72184             1.16129
     C             5.17911             4.34519             0.44702
     C             4.86631             5.69063             0.94060
     C             5.80027             5.84553             2.09663
     C             4.26943             2.96186             7.03986
     C             2.89421             3.47075             7.10738
     C             2.94181             4.91603             6.76193
     C             4.33198             5.29523             6.45831
     C             5.18770             4.07481             6.66021
     C             3.91895             0.20575             4.74670
     C             3.43645             0.86251             5.94344
     C             4.54103             1.68579             6.47064
     C             5.73084             1.45981             5.58898
     C             5.31091             0.51871             4.49544
     C             0.28386             2.31700             4.84481
     C             0.71088             3.28801             5.90386
     C             1.82059             2.69930             6.63696
     C             2.12080             1.31600             6.03974
     C             1.21891             1.18472             4.85957
     C             1.30831             6.20254             3.83790
     C             2.15532             6.46844             4.95432
     C             1.81671             5.52753             6.08188
     C             0.70512             4.70759             5.57015
     C             0.40289             5.08448             4.22396
     C             5.34012             6.55231             3.24892
     C             5.71094             6.07137             4.57874
     C             4.53181             6.26379             5.46695
     C             3.47554             6.85679             4.68146
     C             3.94219             6.98078             3.29259
     C             6.98846             2.78889             3.84915
     C             6.55770             2.57380             5.21179
     C             6.28335             3.90950             5.78170
     C             6.58355             4.93081             4.71314
     C             7.00807             4.18944             3.52707
     C            13.57683             3.50000             2.82749
     C            13.57683             3.50000             4.21451
     C            14.77946             3.50000             2.08448
     H            14.77723             3.50000             0.99280
     C            15.95003             3.50000             2.82225
     H            16.91190             3.50000             2.29155
     C            15.95003             3.50000             4.21975
     H            16.91190             3.50000             4.75045
     C            14.77946             3.50000             4.95752
     H            14.77723             3.50000             6.04920
           70
 Energy:   -458.1962226973505    
     C             4.13465             2.07850             0.14698
     C             2.72222             1.70893             0.41854
     C             1.86875             2.88610             0.33299
     C             2.69295             4.02901             0.00813
     C             4.11916             3.54001            -0.10532
     C             5.76519             0.73221             3.16430
     C             4.86203             0.50942             2.04267
     C             5.19014             1.49255             0.97566
     C             6.25655             2.36395             1.48769
     C             6.55971             1.89863             2.82154
     C             1.63731             0.51963             3.68137
     C             1.25142             0.97124             2.33514
     C             2.41268             0.78124             1.44446
     C             3.51394             0.19095             2.24261
     C             3.00346             0.01524             3.61448
     C            -0.01638             4.23764             3.20172
     C             0.46420             4.42778             1.79031
     C             0.74018             3.11052             1.21467
     C             0.41130             2.12262             2.23193
     C            -0.05775             2.81600             3.47557
     C             3.04827             6.82186             2.26760
     C             3.51552             6.15551             1.04059
     C             2.41297             5.29308             0.58648
     C             1.26361             5.58230             1.45177
     C             1.68014             6.48325             2.51270
     C             6.56986             4.66346             2.27439
     C             6.25128             3.73738             1.15543
     C             5.17687             4.35836             0.35591
     C             4.91976             5.69331             0.97259
     C             5.79279             5.85129             2.13648
     C             4.26540             2.90136             7.02193
     C             2.89678             3.44469             7.07294
     C             2.92573             4.86610             6.78658
     C             4.32795             5.23481             6.52785
     C             5.12948             4.04780             6.64910
     C             3.88951             0.16379             4.68679
     C             3.47552             0.88748             5.87953
     C             4.54717             1.65535             6.39321
     C             5.71205             1.51014             5.56769
     C             5.33814             0.53980             4.53230
     C             0.27950             2.29805             4.79200
     C             0.69309             3.23851             5.87836
     C             1.80656             2.59172             6.64155
     C             2.11877             1.36821             6.00524
     C             1.20535             1.13165             4.89130
     C             1.31718             6.17530             3.86776
     C             2.19698             6.47184             5.01112
     C             1.89657             5.51538             6.03489
     C             0.71646             4.66486             5.64492
     C             0.46058             5.10454             4.20741
     C             5.37208             6.54328             3.29249
     C             5.69944             6.03272             4.60990
     C             4.60593             6.22727             5.49447
     C             3.53736             6.81807             4.69796
     C             3.98948             6.98847             3.34396
     C             7.00651             2.78613             3.83963
     C             6.57332             2.62580             5.23350
     C             6.29914             3.94346             5.78886
     C             6.54563             4.93209             4.75893
     C             7.00955             4.21934             3.56845
     C            13.05121             3.50000             2.83121
     C            13.05121             3.50000             4.21079
     C            14.27969             3.50000             2.12215
     H            14.34514             3.50000             1.03574
     C            15.46927             3.50000             2.83886
     H            16.41789             3.50000             2.30273
     C            15.46927             3.50000             4.20314
     H            16.41789             3.50000             4.73927
     C            14.27969             3.50000             4.91985
     H            14.34514             3.50000             6.00626
           70
 Energy:   -458.2406741820234    
     C             4.08936             2.12465             0.12773
     C             2.69972             1.71897             0.44009
     C             1.86084             2.93150             0.34467
     C             2.69657             4.07421            -0.03849
     C             4.06041             3.59898            -0.17864
     C             5.73913             0.75877             3.13298
     C             4.82507             0.56842             1.98639
     C             5.14193             1.55282             0.93109
     C             6.24472             2.37824             1.44943
     C             6.61762             1.90776             2.80810
     C             1.63473             0.52041             3.67755
     C             1.26076             1.00761             2.34181
     C             2.39621             0.75582             1.46923
     C             3.46633             0.16981             2.26481
     C             3.00051            -0.05121             3.59964
     C             0.04244             4.20984             3.20959
     C             0.48524             4.42935             1.86304
     C             0.68927             3.13668             1.13724
     C             0.39455             2.11526             2.20533
     C            -0.03518             2.76277             3.43043
     C             3.14530             6.80421             2.30299
     C             3.56405             6.10179             1.08429
     C             2.39828             5.36154             0.56187
     C             1.29645             5.51536             1.52853
     C             1.71986             6.45502             2.56946
     C             6.56017             4.67655             2.27604
     C             6.18405             3.78303             1.22404
     C             5.20161             4.40494             0.30830
     C             4.88077             5.68503             0.97984
     C             5.76529             5.88272             2.12478
     C             4.28319             2.92857             6.95931
     C             2.87768             3.37138             7.07319
     C             2.93116             4.83200             6.81177
     C             4.28405             5.23510             6.55977
     C             5.13843             4.03660             6.65677
     C             3.94684             0.14767             4.69141
     C             3.42755             0.87690             5.84042
     C             4.56387             1.67362             6.40296
     C             5.71416             1.52444             5.49678
     C             5.32947             0.54098             4.46841
     C             0.33132             2.31142             4.73179
     C             0.66875             3.20164             5.86808
     C             1.77710             2.60492             6.61648
     C             2.12139             1.32353             5.93750
     C             1.14024             1.11455             4.88295
     C             1.31481             6.25276             3.90415
     C             2.21330             6.44413             4.99870
     C             1.90897             5.43781             6.06354
     C             0.79121             4.61788             5.59118
     C             0.43269             5.10851             4.26338
     C             5.36578             6.52949             3.31691
     C             5.77567             6.04648             4.63873
     C             4.63489             6.17019             5.56919
     C             3.56523             6.80916             4.79354
     C             4.01382             7.04257             3.39047
     C             7.02158             2.80141             3.85548
     C             6.57920             2.61117             5.25934
     C             6.26125             3.91876             5.83802
     C             6.56313             4.89102             4.79704
     C             6.99723             4.25449             3.56057
     C            12.55225             3.50000             2.83480
     C            12.55225             3.50000             4.20720
     C            13.77358             3.50000             2.12077
     H            13.69281             3.50000             1.03615
     C            14.98645             3.50000             2.81376
     H            15.92472             3.50000             2.26927
     C            14.98645             3.50000             4.22824
     H            15.92472             3.50000             4.77273
     C            13.77358             3.50000             4.92123
     H            13.69281             3.50000             6.00585
           70
 Energy:   -458.0236615272552    
     C             4.04047             2.19447             0.14665
     C             2.66870             1.77233             0.46855
     C             1.80749             2.97948             0.32089
     C             2.67802             4.12330            -0.05683
     C             4.10326             3.62927            -0.21373
     C             5.74673             0.81174             3.04608
     C             4.77843             0.61261             1.93916
     C             5.09118             1.60353             0.91438
     C             6.20988             2.39249             1.43917
     C             6.66651             1.89718             2.78260
     C             1.62989             0.44406             3.67156
     C             1.28155             0.98196             2.36704
     C             2.39510             0.77601             1.44876
     C             3.47159             0.13780             2.18712
     C             3.00665            -0.07713             3.64410
     C             0.07836             4.18252             3.23774
     C             0.47490             4.42195             1.83972
     C             0.65829             3.13544             1.19758
     C             0.37954             2.08838             2.16064
     C            -0.00368             2.77268             3.42786
     C             3.16740             6.80930             2.34712
     C             3.53790             6.12160             1.12075
     C             2.43724             5.38423             0.55636
     C             1.36489             5.50334             1.55413
     C             1.80916             6.41646             2.61187
     C             6.58741             4.71193             2.28511
     C             6.17738             3.77259             1.20726
     C             5.15731             4.41539             0.34253
     C             4.87936             5.70042             0.95089
     C             5.75556             5.89281             2.12167
     C             4.25984             2.91857             6.94755
     C             2.89229             3.36185             7.08454
     C             2.90258             4.79642             6.86059
     C             4.31799             5.22257             6.58798
     C             5.14034             4.07800             6.70745
     C             3.92483             0.12772             4.68201
     C             3.46907             0.85109             5.86698
     C             4.54635             1.65095             6.36144
     C             5.69674             1.45856             5.47529
     C             5.30435             0.55724             4.38364
     C             0.32548             2.30758             4.72666
     C             0.69081             3.22283             5.81486
     C             1.78638             2.57678             6.56185
     C             2.04453             1.28321             5.94312
     C             1.14057             1.10846             4.80133
     C             1.24598             6.29121             3.95545
     C             2.23550             6.39103             5.08833
     C             1.87570             5.38952             6.05759
     C             0.82584             4.56976             5.51608
     C             0.38847             5.11778             4.25133
     C             5.39413             6.55368             3.35648
     C             5.80374             6.07884             4.70648
     C             4.64110             6.20746             5.58565
     C             3.56691             6.84236             4.85304
     C             4.02868             7.06803             3.49452
     C             7.03554             2.81087             3.84561
     C             6.58822             2.56466             5.21357
     C             6.28352             3.86284             5.82612
     C             6.61875             4.91108             4.80314
     C             6.98930             4.21092             3.57458
     C            12.07210             3.50000             2.83488
     C            12.07210             3.50000             4.20712
     C            13.27136             3.50000             2.08370
     H            13.27008             3.50000             0.99242
     C            14.46433             3.50000             2.82327
     H            15.40145             3.50000             2.28781
     C            14.46433             3.50000             4.21873
     H            15.40145             3.50000             4.75419
     C            13.27136             3.50000             4.95830
     H            13.27008             3.50000             6.04958
           70
 Energy:   -458.0901178497483    
     C             4.02013             2.22694             0.17413
     C             2.63048             1.87955             0.46303
     C             1.76976             3.01627             0.29639
     C             2.67046             4.13934            -0.08585
     C             4.05371             3.63659            -0.17715
     C             5.71412             0.77785             3.01586
     C             4.80069             0.62743             1.92397
     C             5.06944             1.64342             0.93944
     C             6.20787             2.42339             1.42438
     C             6.64521             1.90289             2.68954
     C             1.62202             0.36622             3.63239
     C             1.24811             0.91978             2.32155
     C             2.37922             0.82277             1.42466
     C             3.48111             0.11487             2.18212
     C             3.01115            -0.09808             3.51833
     C             0.05138             4.22867             3.17248
     C             0.47883             4.44896             1.82287
     C             0.69784             3.11964             1.20405
     C             0.39808             2.05172             2.24198
     C            -0.00743             2.77695             3.43388
     C             3.15930             6.82066             2.43107
     C             3.57531             6.23825             1.10238
     C             2.46290             5.38368             0.62013
     C             1.38200             5.51466             1.56662
     C             1.78891             6.37629             2.69333
     C             6.59942             4.69498             2.25997
     C             6.23025             3.81147             1.16074
     C             5.13945             4.40364             0.41434
     C             4.90837             5.75649             0.99383
     C             5.78117             5.92026             2.18649
     C             4.28948             2.86359             6.97595
     C             2.87719             3.35600             7.06979
     C             2.91136             4.82938             6.87441
     C             4.29031             5.26574             6.62425
     C             5.20322             3.99770             6.70920
     C             3.89232             0.12149             4.65649
     C             3.40135             0.78600             5.89094
     C             4.55256             1.64260             6.32620
     C             5.70893             1.41734             5.45224
     C             5.26156             0.56894             4.35169
     C             0.28826             2.25462             4.72074
     C             0.76267             3.16850             5.74539
     C             1.81740             2.55693             6.54204
     C             2.08421             1.22714             5.97080
     C             1.18237             1.08890             4.81538
     C             1.26845             6.28397             3.98266
     C             2.18149             6.42168             5.13046
     C             1.87894             5.33940             6.06912
     C             0.77144             4.59010             5.50703
     C             0.39274             5.14858             4.21262
     C             5.42704             6.60158             3.40266
     C             5.80814             6.08990             4.74091
     C             4.65244             6.26019             5.65446
     C             3.54597             6.86221             4.88582
     C             4.02743             7.06308             3.49753
     C             7.03635             2.73057             3.77899
     C             6.56154             2.50957             5.16784
     C             6.31696             3.86748             5.80933
     C             6.63041             4.91059             4.83007
     C             7.00824             4.23065             3.55806
     C            11.59103             3.50000             2.82175
     C            11.59103             3.50000             4.22025
     C            12.78228             3.50000             2.06752
     H            12.85035             3.50000             0.98044
     C            13.92884             3.50000             2.82582
     H            14.88893             3.50000             2.33214
     C            13.92884             3.50000             4.21618
     H            14.88893             3.50000             4.70986
     C            12.78228             3.50000             4.97448
     H            12.85035             3.50000             6.06156
           70
 Energy:   -458.0574006265602    
     C             3.99548             2.24311             0.20255
     C             2.63708             1.84597             0.46054
     C             1.79098             3.04228             0.26361
     C             2.64905             4.19992            -0.05836
     C             4.03115             3.68362            -0.07799
     C             5.72817             0.74868             3.03480
     C             4.79831             0.57515             1.90333
     C             5.05600             1.67406             0.93678
     C             6.21411             2.44353             1.35001
     C             6.58509             1.85098             2.68376
     C             1.60977             0.34337             3.60113
     C             1.17728             0.86473             2.28924
     C             2.39888             0.82902             1.39460
     C             3.45876             0.20116             2.08552
     C             2.99918            -0.13195             3.48088
     C            -0.03060             4.25832             3.16637
     C             0.48997             4.42884             1.79213
     C             0.71267             3.12563             1.21991
     C             0.43924             2.11570             2.24581
     C            -0.05741             2.79957             3.45592
     C             3.12901             6.83525             2.41665
     C             3.58617             6.33385             1.13777
     C             2.50646             5.43034             0.65724
     C             1.35851             5.52978             1.60024
     C             1.78102             6.39149             2.66715
     C             6.63584             4.71630             2.28048
     C             6.27313             3.85451             1.14666
     C             5.11494             4.47496             0.44161
     C             4.93015             5.79856             1.07826
     C             5.84234             5.92944             2.23351
     C             4.30268             2.84995             6.99141
     C             2.93930             3.35333             7.06322
     C             2.93556             4.78997             6.85798
     C             4.36982             5.20937             6.66792
     C             5.18055             4.00384             6.68897
     C             3.84858             0.10955             4.56994
     C             3.45781             0.70747             5.85182
     C             4.53770             1.56328             6.34877
     C             5.66472             1.41869             5.41636
     C             5.22592             0.53304             4.34957
     C             0.34692             2.19116             4.71607
     C             0.78119             3.16746             5.72784
     C             1.85735             2.55106             6.52607
     C             2.09131             1.21936             5.97542
     C             1.20183             0.97100             4.81524
     C             1.30473             6.25073             3.99246
     C             2.16462             6.49031             5.13056
     C             1.85455             5.39260             6.07749
     C             0.72125             4.55844             5.54576
     C             0.39288             5.13625             4.23620
     C             5.41739             6.61545             3.44448
     C             5.80914             6.08902             4.76899
     C             4.64113             6.28437             5.72100
     C             3.52233             6.86386             4.90735
     C             4.03191             7.05997             3.53704
     C             7.01384             2.76310             3.73439
     C             6.56056             2.53611             5.12987
     C             6.33011             3.80509             5.78813
     C             6.60878             4.87371             4.79474
     C             7.04475             4.20626             3.53482
     C            11.08083             3.50000             2.83698
     C            11.08083             3.50000             4.20502
     C            12.27057             3.50000             2.07921
     H            12.23275             3.50000             0.98836
     C            13.45906             3.50000             2.82167
     H            14.40685             3.50000             2.28212
     C            13.45906             3.50000             4.22033
     H            14.40685             3.50000             4.75988
     C            12.27057             3.50000             4.96279
     H            12.23275             3.50000             6.05364
           70
 Energy:   -458.1378063248866    
     C             4.01527             2.30255             0.22328
     C             2.63595             1.83703             0.38581
     C             1.78904             3.00870             0.29066
     C             2.68632             4.23837             0.03411
     C             4.05637             3.74320             0.01232
     C             5.71070             0.70991             2.98104
     C             4.80750             0.58196             1.84891
     C             5.07009             1.62477             0.89635
     C             6.23080             2.41398             1.38083
     C             6.60274             1.90048             2.71343
     C             1.57610             0.29825             3.56476
     C             1.17848             0.92104             2.25088
     C             2.28656             0.81112             1.35247
     C             3.43879             0.20230             2.10956
     C             2.96903            -0.11691             3.41629
     C            -0.09443             4.23848             3.22929
     C             0.45766             4.46219             1.83874
     C             0.74242             3.16709             1.21360
     C             0.43945             2.13667             2.20154
     C            -0.06307             2.76387             3.46056
     C             3.14163             6.93372             2.44519
     C             3.58511             6.30702             1.19715
     C             2.46527             5.51379             0.64267
     C             1.38040             5.54494             1.56553
     C             1.77153             6.46354             2.64881
     C             6.71207             4.76309             2.27722
     C             6.24762             3.86965             1.15543
     C             5.14322             4.57058             0.47596
     C             4.91381             5.85009             1.14881
     C             5.85736             5.96460             2.27082
     C             4.33470             2.81047             6.94821
     C             2.94711             3.30742             7.04437
     C             2.96643             4.78561             6.79885
     C             4.37340             5.19530             6.65593
     C             5.21598             3.95727             6.65977
     C             3.87425             0.08125             4.54572
     C             3.44468             0.68692             5.82260
     C             4.55404             1.51311             6.38918
     C             5.62990             1.45214             5.38310
     C             5.25204             0.49507             4.31094
     C             0.41145             2.21089             4.68200
     C             0.78726             3.12216             5.77527
     C             1.90096             2.54024             6.49548
     C             2.14456             1.15785             5.93502
     C             1.16997             0.94075             4.82349
     C             1.27824             6.22372             3.94875
     C             2.16079             6.46898             5.14450
     C             1.85899             5.43979             6.15681
     C             0.76858             4.58335             5.58762
     C             0.37456             5.10167             4.26544
     C             5.39791             6.57713             3.47265
     C             5.79667             6.05443             4.80126
     C             4.65922             6.24205             5.71894
     C             3.55511             6.86261             4.94928
     C             3.98672             7.05394             3.55753
     C             6.96920             2.76899             3.73743
     C             6.52586             2.48932             5.09083
     C             6.27392             3.80464             5.76086
     C             6.57664             4.84786             4.76194
     C             7.05709             4.19900             3.54423
     C            10.55317             3.50000             2.83405
     C            10.55317             3.50000             4.20795
     C            11.77342             3.50000             2.11388
     H            11.70704             3.50000             1.02691
     C            12.98315             3.50000             2.81457
     H            13.94098             3.50000             2.27063
     C            12.98315             3.50000             4.22743
     H            13.94098             3.50000             4.77137
     C            11.77342             3.50000             4.92812
     H            11.70704             3.50000             6.01509
           70
 Energy:   -457.9755783641806    
     C             4.07414             2.31704             0.22315
     C             2.63906             1.84165             0.32991
     C             1.82753             3.10042             0.30861
     C             2.70674             4.21485             0.12158
     C             4.09045             3.79520             0.08034
     C             5.74281             0.73265             2.92901
     C             4.74783             0.56653             1.81676
     C             5.14846             1.62774             0.83859
     C             6.21044             2.46007             1.41137
     C             6.58224             1.87123             2.68072
     C             1.51869             0.31708             3.54783
     C             1.17725             0.97263             2.27557
     C             2.31909             0.79474             1.27254
     C             3.40493             0.18637             2.05475
     C             2.97137            -0.09182             3.46900
     C            -0.07289             4.19373             3.24545
     C             0.43933             4.53207             1.91268
     C             0.71265             3.22147             1.25491
     C             0.37939             2.13572             2.18571
     C            -0.02152             2.73326             3.41069
     C             3.10033             6.99731             2.45492
     C             3.56527             6.30196             1.24169
     C             2.44990             5.52825             0.61769
     C             1.31765             5.63553             1.59795
     C             1.70959             6.53126             2.66597
     C             6.74795             4.78976             2.25349
     C             6.25262             3.86822             1.22829
     C             5.18416             4.57558             0.52214
     C             4.92064             5.85659             1.17380
     C             5.85574             6.00106             2.27951
     C             4.33086             2.77547             6.92729
     C             2.96799             3.30392             6.98128
     C             2.97897             4.74806             6.81008
     C             4.35836             5.15169             6.59932
     C             5.19755             3.92904             6.67211
     C             3.89372             0.03631             4.54026
     C             3.47345             0.65981             5.80843
     C             4.57613             1.48361             6.32274
     C             5.64738             1.37348             5.34932
     C             5.27730             0.49712             4.27045
     C             0.40539             2.24531             4.69379
     C             0.82234             3.14348             5.78622
     C             1.92225             2.43684             6.47923
     C             2.10038             1.15188             5.88440
     C             1.16220             0.98649             4.76632
     C             1.26216             6.22374             3.99844
     C             2.18062             6.42667             5.12987
     C             1.87461             5.41631             6.17737
     C             0.81770             4.55297             5.64062
     C             0.38569             5.08300             4.31913
     C             5.36072             6.55144             3.50451
     C             5.77519             6.00770             4.75763
     C             4.67519             6.18813             5.68765
     C             3.53415             6.83488             4.98052
     C             4.02484             7.06141             3.61015
     C             6.97339             2.74771             3.76116
     C             6.45945             2.51900             5.10259
     C             6.25260             3.78300             5.69643
     C             6.56308             4.84812             4.79060
     C             7.04449             4.22525             3.54748
     C            10.04709             3.50000             2.82807
     C            10.04709             3.50000             4.21393
     C            11.28228             3.50000             2.12417
     H            11.35287             3.50000             1.03859
     C            12.46951             3.50000             2.84042
     H            13.42557             3.50000             2.29423
     C            12.46951             3.50000             4.20158
     H            13.42557             3.50000             4.74777
     C            11.28228             3.50000             4.91783
     H            11.35287             3.50000             6.00341
           70
 Energy:   -458.3200772093766    
     C             4.07614             2.31547             0.15250
     C             2.67571             1.90509             0.33208
     C             1.82662             3.13381             0.38569
     C             2.74231             4.27884             0.16562
     C             4.09559             3.74828             0.10672
     C             5.69678             0.71358             2.92042
     C             4.80919             0.58412             1.78672
     C             5.15146             1.65689             0.82057
     C             6.20579             2.48848             1.41268
     C             6.59160             1.87979             2.67344
     C             1.57955             0.40693             3.54047
     C             1.20050             0.95157             2.19292
     C             2.32661             0.82543             1.28947
     C             3.41241             0.14815             2.03247
     C             2.92851            -0.08151             3.43227
     C             0.03020             4.23340             3.30199
     C             0.45595             4.54199             1.92117
     C             0.70689             3.27712             1.22936
     C             0.36759             2.15190             2.15107
     C            -0.03237             2.79437             3.45456
     C             3.06800             6.97844             2.51488
     C             3.55583             6.34170             1.24052
     C             2.41654             5.53575             0.73802
     C             1.22007             5.72886             1.60945
     C             1.65211             6.60640             2.74862
     C             6.72108             4.82448             2.32818
     C             6.29093             3.91577             1.27683
     C             5.18800             4.52721             0.56867
     C             4.91490             5.84068             1.15914
     C             5.87872             6.00220             2.26206
     C             4.32793             2.74064             6.89659
     C             2.95802             3.21748             6.93929
     C             2.97051             4.70104             6.84519
     C             4.36846             5.08067             6.58230
     C             5.17660             3.91371             6.66252
     C             3.91215             0.01156             4.52041
     C             3.45190             0.62256             5.77320
     C             4.56090             1.47975             6.24822
     C             5.72785             1.32235             5.34466
     C             5.26213             0.45820             4.22424
     C             0.35201             2.26019             4.69994
     C             0.86117             3.10570             5.77604
     C             1.89565             2.45260             6.49434
     C             2.12256             1.10988             5.83726
     C             1.15110             1.05792             4.72462
     C             1.25497             6.23862             4.07032
     C             2.19718             6.38118             5.17419
     C             1.91931             5.34340             6.12952
     C             0.80930             4.52647             5.64544
     C             0.40492             5.05152             4.36700
     C             5.37397             6.55958             3.45028
     C             5.74286             5.98859             4.74285
     C             4.62587             6.14201             5.67679
     C             3.54616             6.79966             4.95679
     C             3.97677             7.10356             3.58900
     C             6.98675             2.74722             3.71894
     C             6.44477             2.50350             5.06804
     C             6.21288             3.78706             5.75780
     C             6.59415             4.83173             4.78523
     C             7.05799             4.20646             3.55044
     C             9.57576             3.50000             2.83265
     C             9.57576             3.50000             4.20935
     C            10.77704             3.50000             2.09422
     H            10.75224             3.50000             1.00413
     C            11.95519             3.50000             2.82140
     H            12.91680             3.50000             2.28789
     C            11.95519             3.50000             4.22060
     H            12.91680             3.50000             4.75411
     C            10.77704             3.50000             4.94778
     H            10.75224             3.50000             6.03787
           70
 Energy:   -457.9547968060877    
     C             4.04010             2.29094             0.09574
     C             2.65964             1.93093             0.42172
     C             1.87804             3.14279             0.41404
     C             2.73113             4.30681             0.22523
     C             4.10260             3.76484             0.05765
     C             5.71161             0.73553             2.90166
     C             4.80788             0.57941             1.74661
     C             5.10071             1.68115             0.83173
     C             6.24375             2.48613             1.39130
     C             6.58627             1.87913             2.68235
     C             1.62184             0.51756             3.44684
     C             1.16785             0.99325             2.15749
     C             2.37834             0.88211             1.27523
     C             3.49683             0.16527             2.01114
     C             2.99634            -0.09536             3.35406
     C             0.10756             4.28092             3.27856
     C             0.45910             4.57393             1.92300
     C             0.69451             3.28340             1.22883
     C             0.38639             2.19468             2.16979
     C            -0.04828             2.83395             3.44645
     C             3.04385             6.95990             2.52876
     C             3.51136             6.37343             1.31013
     C             2.40450             5.56726             0.84345
     C             1.20315             5.77740             1.66184
     C             1.61661             6.63144             2.78742
     C             6.69514             4.80372             2.36717
     C             6.29792             3.90744             1.26806
     C             5.15496             4.52159             0.58976
     C             4.88864             5.84060             1.14057
     C             5.85128             6.02846             2.23394
     C             4.31741             2.69069             6.83735
     C             2.96160             3.17662             7.00749
     C             2.97420             4.60972             6.84590
     C             4.31231             5.08043             6.63004
     C             5.17622             3.84621             6.66181
     C             3.85332            -0.01083             4.45020
     C             3.45707             0.61801             5.70829
     C             4.56619             1.44395             6.22703
     C             5.69142             1.29282             5.32631
     C             5.27618             0.39505             4.24809
     C             0.32952             2.24793             4.71755
     C             0.77522             3.10761             5.78136
     C             1.87348             2.38801             6.46923
     C             2.11637             1.13959             5.83891
     C             1.18135             1.04646             4.70370
     C             1.23292             6.27034             4.13704
     C             2.21560             6.36243             5.21765
     C             1.95150             5.23709             6.14721
     C             0.81942             4.49403             5.63943
     C             0.43243             5.11998             4.37897
     C             5.35237             6.63710             3.44168
     C             5.74802             5.97919             4.73415
     C             4.60142             6.08474             5.63735
     C             3.52967             6.78405             4.93055
     C             3.99293             7.10547             3.58129
     C             6.98205             2.76596             3.72204
     C             6.52061             2.46354             5.04441
     C             6.28820             3.74607             5.72839
     C             6.58860             4.83241             4.81811
     C             7.09275             4.20672             3.59794
     C             9.09380             3.50000             2.83637
     C             9.09380             3.50000             4.20563
     C            10.26761             3.50000             2.05586
     H            10.16958             3.50000             0.96695
     C            11.45369             3.50000             2.80919
     H            12.41419             3.50000             2.28921
     C            11.45369             3.50000             4.23281
     H            12.41419             3.50000             4.75279
     C            10.26761             3.50000             4.98614
     H            10.16958             3.50000             6.07505
           70
 Energy:   -457.2031828692770    
     C             4.04356             2.34037             0.11614
     C             2.67626             1.97633             0.41933
     C             1.84037             3.17765             0.45104
     C             2.71853             4.30107             0.26758
     C             4.05205             3.82009            -0.03441
     C             5.74524             0.71472             2.90900
     C             4.84926             0.60075             1.76325
     C             5.11527             1.69309             0.81773
     C             6.23991             2.44493             1.36056
     C             6.58500             1.89918             2.66186
     C             1.67576             0.49583             3.43451
     C             1.23228             1.08285             2.15563
     C             2.38869             0.87392             1.28062
     C             3.45761             0.22066             1.92867
     C             2.98971            -0.05965             3.26703
     C             0.07028             4.29820             3.28459
     C             0.45123             4.60317             1.89461
     C             0.70982             3.31069             1.25056
     C             0.37745             2.24345             2.18726
     C            -0.00523             2.84431             3.43090
     C             3.03852             7.03404             2.58697
     C             3.51063             6.33054             1.36385
     C             2.41134             5.55840             0.81682
     C             1.26238             5.74460             1.71286
     C             1.64058             6.63906             2.82314
     C             6.66522             4.80607             2.31652
     C             6.23907             3.88357             1.24807
     C             5.14215             4.55351             0.54696
     C             4.82512             5.87387             1.17450
     C             5.81051             6.04850             2.26626
     C             4.30571             2.63572             6.83437
     C             2.94170             3.10252             7.06421
     C             2.96149             4.54383             6.88202
     C             4.36495             5.01802             6.64534
     C             5.21896             3.83100             6.61011
     C             3.89483            -0.01264             4.42886
     C             3.42410             0.64865             5.66657
     C             4.55230             1.37530             6.21184
     C             5.67685             1.30139             5.28212
     C             5.30081             0.36079             4.19896
     C             0.30306             2.20222             4.65567
     C             0.70676             3.05664             5.84694
     C             1.85038             2.41445             6.51298
     C             2.11037             1.12323             5.79141
     C             1.21550             1.02199             4.65582
     C             1.24651             6.36297             4.16346
     C             2.20393             6.34877             5.26498
     C             1.93196             5.23131             6.15669
     C             0.81677             4.49463             5.61099
     C             0.40566             5.13981             4.36903
     C             5.40050             6.66270             3.48313
     C             5.75056             5.98991             4.71542
     C             4.59903             6.03879             5.62881
     C             3.53285             6.75113             4.95626
     C             3.98005             7.10604             3.62534
     C             7.00357             2.72897             3.72767
     C             6.56219             2.39057             5.10643
     C             6.32154             3.67680             5.76775
     C             6.59634             4.83100             4.84596
     C             7.06223             4.26970             3.58845
     C             8.59227             3.49349             2.80353
     C             8.60991             3.49455             4.24222
     C             9.78194             3.49991             2.07485
     H             9.80213             3.50007             0.98301
     C            10.94675             3.50001             2.82338
     H            11.89667             3.50001             2.30720
     C            10.94691             3.50002             4.21878
     H            11.89670             3.50004             4.73484
     C             9.78108             3.49978             4.96594
     H             9.80321             3.50018             6.05875
           70
 Energy:   -455.7806140483694    
     C             4.09028             2.42884             0.14834
     C             2.68160             2.00455             0.34740
     C             1.85077             3.17584             0.45245
     C             2.68864             4.32766             0.19220
     C             4.05065             3.85475            -0.05844
     C             5.79344             0.69883             2.84398
     C             4.82128             0.61255             1.73951
     C             5.15309             1.68620             0.78246
     C             6.22809             2.49373             1.36613
     C             6.57868             1.82760             2.58325
     C             1.67357             0.44223             3.42755
     C             1.31244             1.12605             2.20961
     C             2.33643             0.94996             1.18489
     C             3.47993             0.22950             1.91161
     C             3.05445            -0.04780             3.29478
     C            -0.03301             4.31253             3.28017
     C             0.42651             4.61087             1.94683
     C             0.69060             3.35559             1.26698
     C             0.43666             2.24427             2.15680
     C             0.02014             2.85425             3.45086
     C             3.08941             7.06655             2.57591
     C             3.51785             6.35134             1.38666
     C             2.43720             5.57358             0.83048
     C             1.32196             5.70442             1.72802
     C             1.70491             6.64829             2.83085
     C             6.57671             4.88744             2.20202
     C             6.16902             3.91867             1.21604
     C             5.10181             4.62179             0.45849
     C             4.84612             5.85569             1.22838
     C             5.79681             6.01712             2.26674
     C             4.35703             2.60398             6.88919
     C             2.95694             3.08397             7.06972
     C             2.99427             4.59033             6.91354
     C             4.38973             4.94200             6.58765
     C             5.18316             3.72059             6.63054
     C             3.92109            -0.00762             4.36210
     C             3.44346             0.61084             5.60523
     C             4.55653             1.38254             6.18684
     C             5.70048             1.24858             5.28869
     C             5.32414             0.39938             4.17920
     C             0.33820             2.18682             4.67674
     C             0.68175             3.02994             5.82149
     C             1.79461             2.33306             6.53643
     C             2.10636             1.14718             5.76953
     C             1.19907             1.04311             4.63113
     C             1.21539             6.35234             4.18059
     C             2.20365             6.38571             5.29481
     C             1.92155             5.23627             6.18487
     C             0.77876             4.45758             5.61275
     C             0.38726             5.15520             4.36189
     C             5.40958             6.65180             3.52268
     C             5.76798             5.95967             4.83660
     C             4.63556             5.99661             5.69281
     C             3.55805             6.69635             5.04170
     C             4.01162             7.14187             3.70599
     C             6.95508             2.58004             3.82203
     C             6.53082             2.37745             5.19118
     C             6.35694             3.68681             5.78852
     C             6.55141             4.81298             4.89681
     C             6.87347             4.36172             3.46782
     C             8.19080             3.54413             2.64080
     C             8.26344             3.37576             4.35351
     C             9.37462             3.49698             2.04598
     H             9.46258             3.50982             0.96982
     C            10.47749             3.50057             2.83837
     H            11.42405             3.50234             2.32951
     C            10.49210             3.50411             4.20922
     H            11.44004             3.50312             4.70470
     C             9.44213             3.50844             5.02229
     H             9.51798             3.48996             6.09716
           70
 Energy:   -453.3824249508160    
     C             4.08165             2.43135             0.11952
     C             2.70058             2.03184             0.28523
     C             1.85539             3.25165             0.36104
     C             2.68142             4.39752             0.07476
     C             4.04877             3.91169            -0.05780
     C             5.74556             0.62814             2.75356
     C             4.83333             0.60833             1.63652
     C             5.14147             1.73809             0.74874
     C             6.21245             2.56647             1.37702
     C             6.65366             1.81007             2.61930
     C             1.68492             0.44957             3.43613
     C             1.31246             1.11425             2.18289
     C             2.41961             0.92386             1.21599
     C             3.46741             0.24204             1.89487
     C             3.03688            -0.07692             3.24253
     C            -0.10110             4.31451             3.31187
     C             0.42599             4.63233             1.96608
     C             0.73460             3.34699             1.24035
     C             0.49642             2.27544             2.23023
     C            -0.01412             2.83522             3.44894
     C             3.16334             7.05145             2.62661
     C             3.56567             6.41826             1.35181
     C             2.47363             5.58058             0.86394
     C             1.32827             5.72235             1.79297
     C             1.72971             6.61191             2.86047
     C             6.49100             4.96404             2.06849
     C             6.13258             3.99231             1.08404
     C             5.10318             4.70335             0.43467
     C             4.81057             5.90689             1.15568
     C             5.71067             6.12269             2.25528
     C             4.31014             2.53662             6.94724
     C             2.93061             3.09774             7.05884
     C             2.99894             4.56058             6.88821
     C             4.37001             4.87029             6.58831
     C             5.21451             3.72975             6.69023
     C             3.98164             0.02305             4.35957
     C             3.47614             0.60654             5.59357
     C             4.54185             1.34901             6.18617
     C             5.71149             1.19658             5.41800
     C             5.36684             0.42786             4.13521
     C             0.35626             2.23460             4.66879
     C             0.74019             3.04162             5.81148
     C             1.83388             2.32241             6.55601
     C             2.16085             1.08231             5.74876
     C             1.21709             1.01969             4.65394
     C             1.25564             6.30279             4.16811
     C             2.17892             6.37177             5.31539
     C             1.90971             5.22430             6.22924
     C             0.78859             4.46343             5.64760
     C             0.35907             5.12506             4.39536
     C             5.42496             6.58399             3.59943
     C             5.81208             5.98430             4.92217
     C             4.64326             5.99937             5.80038
     C             3.57973             6.71881             5.09681
     C             4.05685             7.14232             3.75627
     C             6.82729             2.46476             3.82233
     C             6.45238             2.37169             5.27776
     C             6.30911             3.64370             5.83129
     C             6.52623             4.71321             4.80938
     C             6.73975             4.28560             3.44239
     C             7.92640             3.70145             2.72910
     C             8.10108             3.09918             4.35554
     C             9.01486             3.51938             1.92409
     H             9.13351             3.48234             0.83716
     C            10.13088             3.49282             2.81152
     H            11.09609             3.48652             2.32767
     C            10.25654             3.54019             4.23210
     H            11.27841             3.53918             4.59594
     C             9.12848             3.48789             5.14632
     H             9.24426             3.50415             6.21427
           70
 Energy:   -451.8866793280139    
     C             4.05652             2.49522             0.01930
     C             2.66927             2.01736             0.31342
     C             1.81216             3.27005             0.23144
     C             2.70105             4.47562             0.03663
     C             4.04156             3.94233            -0.12168
     C             5.78832             0.61830             2.72098
     C             4.86279             0.59265             1.54338
     C             5.12684             1.82252             0.75012
     C             6.20881             2.60140             1.35606
     C             6.57804             1.74454             2.50017
     C             1.70362             0.46782             3.40760
     C             1.31158             1.08178             2.12990
     C             2.44469             0.99405             1.22047
     C             3.53170             0.21951             1.86003
     C             3.06089            -0.10419             3.24474
     C            -0.08271             4.29464             3.31557
     C             0.44619             4.62234             1.94185
     C             0.81090             3.37333             1.28230
     C             0.55922             2.29461             2.21294
     C            -0.05884             2.84654             3.45212
     C             3.16914             7.00867             2.69094
     C             3.47456             6.49354             1.30595
     C             2.43051             5.62741             0.85962
     C             1.36612             5.73475             1.79481
     C             1.80611             6.58069             2.92672
     C             6.47258             4.94958             2.17590
     C             6.22485             4.03898             0.98584
     C             5.05959             4.76173             0.36124
     C             4.82455             6.08771             1.02765
     C             5.69840             6.25226             2.24846
     C             4.28026             2.54792             6.97595
     C             2.93421             3.05839             7.07601
     C             2.95413             4.47158             6.82685
     C             4.33498             4.92792             6.67483
     C             5.18394             3.72065             6.80886
     C             3.95324             0.03621             4.31747
     C             3.48747             0.59284             5.58594
     C             4.50795             1.27830             6.32593
     C             5.72077             1.11896             5.48600
     C             5.39287             0.39209             4.13801
     C             0.41107             2.21529             4.67900
     C             0.85261             3.05116             5.83369
     C             1.90023             2.32429             6.49016
     C             2.16197             1.06331             5.80421
     C             1.23875             1.00740             4.65088
     C             1.30551             6.22129             4.20496
     C             2.23678             6.31882             5.33660
     C             1.91665             5.23985             6.23971
     C             0.81144             4.47860             5.69908
     C             0.37184             5.10583             4.44949
     C             5.41828             6.58119             3.63714
     C             5.86608             5.92593             4.90746
     C             4.67139             6.06430             5.85024
     C             3.55755             6.78373             5.14921
     C             4.07890             7.07353             3.82106
     C             6.64723             2.43501             3.79805
     C             6.43424             2.28320             5.25018
     C             6.26053             3.62250             5.79718
     C             6.42468             4.68908             4.89760
     C             6.58545             4.16511             3.49379
     C             7.94173             3.68177             2.95368
     C             8.02037             2.98668             4.24646
     C             8.80094             3.54964             1.91298
     H             8.71770             3.58698             0.81972
     C             9.95881             3.47626             2.72618
     H            10.88589             3.38235             2.16807
     C            10.07937             3.62149             4.28347
     H            11.04673             3.70265             4.78404
     C             8.97092             3.42040             5.06917
     H             8.93602             3.54508             6.14246
           70
 Energy:   -451.5737461462203    
     C             4.03531             2.53023            -0.01602
     C             2.67452             2.13538             0.24533
     C             1.79061             3.27985             0.22721
     C             2.63071             4.45698             0.03411
     C             4.02732             4.01581            -0.21594
     C             5.78948             0.51794             2.65745
     C             4.88483             0.59242             1.53917
     C             5.05420             1.86687             0.68644
     C             6.20212             2.61609             1.23425
     C             6.50849             1.81325             2.43798
     C             1.72063             0.43867             3.37034
     C             1.34339             1.10187             2.14933
     C             2.44811             1.01750             1.20319
     C             3.52562             0.21258             1.81740
     C             3.08979            -0.07484             3.19841
     C             0.00090             4.33076             3.31032
     C             0.50661             4.63781             1.98922
     C             0.86213             3.41506             1.28042
     C             0.56021             2.27911             2.15664
     C             0.01504             2.79226             3.45842
     C             3.17327             6.96486             2.69207
     C             3.49035             6.58292             1.29310
     C             2.38442             5.69364             0.76062
     C             1.33914             5.73863             1.81922
     C             1.80701             6.48688             2.96403
     C             6.45288             4.89946             2.27656
     C             6.27561             4.13490             1.08680
     C             5.15121             4.84325             0.29438
     C             4.86448             6.26125             0.99590
     C             5.83487             6.15519             2.24449
     C             4.34224             2.53584             7.03162
     C             2.97013             3.03263             7.06901
     C             2.96856             4.48507             6.85453
     C             4.33256             4.99901             6.78880
     C             5.18256             3.71577             6.83294
     C             3.94808             0.05338             4.34974
     C             3.42837             0.55166             5.63745
     C             4.57901             1.19327             6.40758
     C             5.71576             1.02332             5.48515
     C             5.35037             0.30127             4.16570
     C             0.44313             2.23245             4.68210
     C             0.89528             3.03872             5.76995
     C             1.94339             2.29143             6.46549
     C             2.12055             1.04280             5.77784
     C             1.27182             1.00109             4.62716
     C             1.36415             6.18324             4.25780
     C             2.28006             6.29408             5.35815
     C             1.93631             5.21317             6.25200
     C             0.79750             4.45662             5.74232
     C             0.41734             5.07910             4.44805
     C             5.41271             6.64126             3.60770
     C             5.73470             5.96775             4.93854
     C             4.70304             6.12603             5.89837
     C             3.63804             6.79459             5.21015
     C             4.00781             7.05193             3.81379
     C             6.46975             2.51032             3.65176
     C             6.38103             2.26990             5.27666
     C             6.16639             3.52487             5.90548
     C             6.34224             4.62548             4.94268
     C             6.41387             4.02738             3.56066
     C             7.89340             3.76525             2.94964
     C             7.91269             2.91789             4.27184
     C             8.80313             3.58798             1.97137
     H             8.42090             3.74551             0.96604
     C            10.02030             3.47677             2.74246
     H            10.98111             3.24598             2.27543
     C            10.04558             3.71649             4.16006
     H            10.98485             4.09710             4.61680
     C             8.98075             3.31092             4.97576
     H             8.79960             3.47120             6.02606
           70
 Energy:   -451.6721490565095    
     C             4.02674             2.61339            -0.03842
     C             2.64803             2.12281             0.21901
     C             1.83207             3.33722             0.31966
     C             2.61803             4.53564            -0.00905
     C             4.07622             4.12488            -0.23080
     C             5.80783             0.48132             2.68399
     C             4.79867             0.63032             1.46467
     C             5.04859             1.80792             0.63448
     C             6.17393             2.65812             1.12174
     C             6.42300             1.82883             2.38071
     C             1.73494             0.42383             3.36745
     C             1.38437             1.15110             2.12092
     C             2.46093             1.05647             1.10933
     C             3.47925             0.26164             1.77136
     C             3.10036            -0.02735             3.18939
     C             0.09757             4.23759             3.36081
     C             0.56485             4.61789             2.02073
     C             0.79024             3.39515             1.27996
     C             0.52545             2.28214             2.15000
     C             0.11546             2.84369             3.39492
     C             3.10061             6.92904             2.66743
     C             3.54783             6.61645             1.28083
     C             2.39323             5.79249             0.70949
     C             1.34378             5.76556             1.76477
     C             1.82662             6.43178             2.93443
     C             6.34646             4.86073             2.30805
     C             6.14178             4.11342             1.10916
     C             5.25159             4.92570             0.26061
     C             5.00220             6.24548             1.06324
     C             5.80549             6.16408             2.30169
     C             4.37131             2.42983             7.09478
     C             3.01455             3.04707             7.04190
     C             3.03239             4.50949             7.00340
     C             4.43455             4.99446             6.85829
     C             5.14364             3.72211             6.91387
     C             3.87646             0.00615             4.37444
     C             3.48860             0.49005             5.72222
     C             4.57429             1.11301             6.41411
     C             5.72976             0.97644             5.45173
     C             5.36431             0.24123             4.14516
     C             0.47591             2.18814             4.59400
     C             0.88680             3.01005             5.76575
     C             1.92614             2.29242             6.47290
     C             2.15290             0.99929             5.74789
     C             1.25339             0.98641             4.56998
     C             1.40144             6.18836             4.25594
     C             2.30654             6.28913             5.42589
     C             1.95479             5.16086             6.31212
     C             0.81411             4.43396             5.71688
     C             0.48435             5.07140             4.47416
     C             5.42608             6.63967             3.58293
     C             5.74198             5.90399             4.94577
     C             4.66236             6.13597             6.01003
     C             3.58507             6.78790             5.19588
     C             4.02789             7.08808             3.77775
     C             6.42535             2.52240             3.71306
     C             6.26124             2.22496             5.21544
     C             6.19757             3.55899             5.90743
     C             6.20506             4.62306             4.96999
     C             6.31509             4.13780             3.61576
     C             7.83745             3.70109             2.88590
     C             7.90723             2.99404             4.25458
     C             8.96569             3.67566             2.13172
     H             8.99473             3.63545             1.04630
     C            10.15330             3.48566             2.68924
     H            11.06844             3.23857             2.13066
     C            10.10653             3.76199             4.06574
     H            10.84353             4.48204             4.45692
     C             9.09658             3.20442             4.93083
     H             9.31096             3.24286             6.02307
           70
 Energy:   -452.1260975545608    
     C             4.04627             2.62743            -0.05356
     C             2.66949             2.21332             0.20146
     C             1.86023             3.40930             0.35830
     C             2.72102             4.66921            -0.01716
     C             4.08225             4.20670            -0.20837
     C             5.71832             0.52096             2.67885
     C             4.82648             0.65359             1.47331
     C             5.06667             1.84108             0.53473
     C             6.11788             2.60606             1.17896
     C             6.33133             1.84897             2.41558
     C             1.71220             0.49873             3.26980
     C             1.34635             1.16898             2.05982
     C             2.38047             1.05436             1.09725
     C             3.46543             0.31823             1.75690
     C             3.07616            -0.00520             3.17785
     C             0.21933             4.27624             3.36333
     C             0.55786             4.61066             2.00186
     C             0.73143             3.39589             1.22259
     C             0.50899             2.27504             2.12488
     C             0.14233             2.79882             3.41195
     C             3.20627             6.98454             2.66730
     C             3.63065             6.56648             1.26419
     C             2.43916             5.86544             0.69465
     C             1.36064             5.75963             1.69387
     C             1.81085             6.46400             2.89971
     C             6.24058             4.84195             2.26027
     C             6.01962             4.05094             1.08020
     C             5.19935             4.95609             0.27960
     C             4.96393             6.17973             1.08559
     C             5.72954             6.18261             2.35412
     C             4.34086             2.36792             7.10728
     C             2.99786             2.99986             7.07076
     C             3.05852             4.50504             7.11374
     C             4.42236             4.95081             6.95874
     C             5.29637             3.61274             6.96138
     C             3.94072            -0.07953             4.35401
     C             3.45648             0.38225             5.68106
     C             4.60200             1.05932             6.39503
     C             5.68671             1.00242             5.41963
     C             5.34724             0.19782             4.12035
     C             0.50422             2.16529             4.59276
     C             0.81545             2.95396             5.74865
     C             1.93689             2.27797             6.45482
     C             2.18064             1.01845             5.78481
     C             1.29346             0.92535             4.59196
     C             1.40040             6.16876             4.25818
     C             2.22590             6.28074             5.43355
     C             2.00163             5.15503             6.39340
     C             0.91485             4.38278             5.73214
     C             0.52859             5.05544             4.47049
     C             5.38837             6.60806             3.71783
     C             5.68741             5.99836             5.02113
     C             4.66694             6.14534             5.96466
     C             3.57272             6.78485             5.17939
     C             4.03890             7.10564             3.81217
     C             6.48564             2.54764             3.70454
     C             6.24164             2.30533             5.20564
     C             6.14563             3.54725             5.87122
     C             6.17865             4.64001             4.94996
     C             6.46192             4.09534             3.60293
     C             7.87276             3.64390             2.84327
     C             8.01804             3.07333             4.28998
     C             9.03915             3.71300             2.04620
     H             8.89867             3.85816             0.93503
     C            10.32473             3.53383             2.76203
     H            11.20636             3.42710             2.10809
     C            10.28197             3.75391             4.10915
     H            10.82399             4.55199             4.60284
     C             9.24852             3.18681             4.83071
     H             9.49790             2.61954             5.76464
           70
 Energy:   -453.7612607041463    
     C             4.06245             2.69519            -0.11451
     C             2.69584             2.28393             0.26606
     C             1.88562             3.53855             0.26941
     C             2.71656             4.65010             0.01804
     C             4.04794             4.13959            -0.25634
     C             5.62709             0.63695             2.68453
     C             4.79622             0.64856             1.43790
     C             5.08990             1.82429             0.50784
     C             6.04274             2.56920             1.32887
     C             6.30601             1.87307             2.54690
     C             1.71000             0.53999             3.30598
     C             1.23609             1.12440             2.00989
     C             2.38629             1.11210             1.03700
     C             3.46868             0.35417             1.74004
     C             3.06389             0.00024             3.10352
     C             0.24774             4.24974             3.30802
     C             0.53068             4.67217             1.91138
     C             0.75179             3.45430             1.15389
     C             0.44695             2.31149             2.05418
     C             0.13732             2.80797             3.42222
     C             3.24768             7.02543             2.65753
     C             3.54882             6.59499             1.32434
     C             2.48995             5.87899             0.71091
     C             1.41051             5.80111             1.71787
     C             1.84996             6.57198             2.90051
     C             6.24983             4.77674             2.29685
     C             6.02338             4.02820             1.11225
     C             5.09508             4.87050             0.34731
     C             4.89002             6.14329             1.08349
     C             5.69503             6.11243             2.41678
     C             4.36151             2.37935             7.06512
     C             2.96940             2.94593             7.15593
     C             3.00991             4.39864             7.13866
     C             4.46551             4.90544             7.00098
     C             5.27286             3.57191             7.01571
     C             3.90310            -0.18286             4.27244
     C             3.46921             0.33002             5.63571
     C             4.54668             1.04719             6.34766
     C             5.67291             1.08991             5.34999
     C             5.35041             0.25152             4.09760
     C             0.46906             2.09796             4.65741
     C             0.87783             2.93204             5.81694
     C             1.93159             2.25215             6.45600
     C             2.19697             0.95985             5.74734
     C             1.33089             0.93815             4.59310
     C             1.38833             6.18215             4.23605
     C             2.25234             6.32621             5.42413
     C             2.00434             5.18815             6.38516
     C             0.96280             4.34566             5.73744
     C             0.58922             4.97898             4.48814
     C             5.35761             6.61894             3.76158
     C             5.75927             5.94714             5.02070
     C             4.56581             6.07549             6.02231
     C             3.52320             6.77147             5.25803
     C             3.99722             7.11283             3.90678
     C             6.70896             2.57310             3.72119
     C             6.28316             2.28241             5.15155
     C             6.11039             3.54201             5.81110
     C             6.27944             4.67093             4.90674
     C             6.64001             4.17768             3.51584
     C             8.06416             3.67050             2.78585
     C             8.18980             3.06296             4.19702
     C             9.13917             3.70891             1.95411
     H             9.04945             4.13984             0.94702
     C            10.37542             3.66901             2.70741
     H            11.37993             3.71093             2.24620
     C            10.48010             3.75470             4.19651
     H            11.33704             4.27201             4.67468
     C             9.38937             3.10013             4.88235
     H             9.62774             2.30079             5.61353
           70
 Energy:   -455.6733667609587    
     C             4.06872             2.60506            -0.12518
     C             2.69007             2.34085             0.27064
     C             1.83414             3.45960             0.22185
     C             2.70032             4.64201            -0.01954
     C             4.04205             4.11352            -0.30214
     C             5.57174             0.76947             2.70930
     C             4.77081             0.62044             1.43107
     C             5.07043             1.82201             0.56030
     C             5.99752             2.62529             1.40648
     C             6.38441             1.94312             2.61765
     C             1.71208             0.50820             3.27109
     C             1.20671             1.10570             1.96157
     C             2.38625             1.17248             1.05793
     C             3.38699             0.35843             1.65968
     C             3.02917            -0.00286             3.04583
     C             0.18612             4.25162             3.29190
     C             0.54418             4.75756             1.91869
     C             0.75975             3.53971             1.11458
     C             0.40755             2.33310             1.99835
     C             0.13212             2.80193             3.37729
     C             3.14396             7.08622             2.78619
     C             3.57021             6.68741             1.33618
     C             2.44664             5.81095             0.78332
     C             1.40334             5.88514             1.77593
     C             1.82230             6.62354             2.95822
     C             6.28660             4.84319             2.33222
     C             6.01730             4.00537             1.22966
     C             5.07536             4.76985             0.41613
     C             4.85489             6.10652             1.20076
     C             5.61969             6.04165             2.38539
     C             4.33264             2.37068             7.04255
     C             2.99561             2.85903             7.20756
     C             2.99493             4.40859             7.10068
     C             4.36857             4.82842             7.00084
     C             5.19137             3.61614             6.86841
     C             3.89571            -0.18944             4.22640
     C             3.47526             0.31825             5.59965
     C             4.55148             1.15118             6.22021
     C             5.61602             1.07089             5.24885
     C             5.23734             0.33108             4.04085
     C             0.39371             2.16649             4.65251
     C             0.92720             2.92761             5.84414
     C             2.00406             2.10255             6.53670
     C             2.19271             0.91656             5.71354
     C             1.29376             0.98341             4.56078
     C             1.40876             6.20917             4.24295
     C             2.18943             6.31641             5.48017
     C             2.00303             5.13074             6.33959
     C             0.96386             4.35776             5.71518
     C             0.65901             4.94094             4.39841
     C             5.37084             6.60726             3.71453
     C             5.71101             5.86793             5.03297
     C             4.63901             5.92289             6.07692
     C             3.58300             6.78690             5.33473
     C             4.00699             7.11107             3.93081
     C             6.99316             2.57424             3.82245
     C             6.31413             2.30622             5.09401
     C             6.12293             3.55569             5.79376
     C             6.45501             4.63232             4.92509
     C             6.98806             4.19193             3.56342
     C             8.29255             3.76413             2.75229
     C             8.47839             3.01188             4.10995
     C             9.35090             3.78733             1.95972
     H             9.47073             3.95998             0.92296
     C            10.50176             3.85630             2.69547
     H            11.37307             4.02913             2.04623
     C            10.57961             3.68132             4.17757
     H            11.58153             3.61246             4.58526
     C             9.56588             3.00481             4.85161
     H             9.78774             2.55163             5.83153
           70
 Energy:   -456.9155942487846    
     C             4.02897             2.53774            -0.10627
     C             2.64204             2.19142             0.21435
     C             1.81849             3.44683             0.19542
     C             2.64817             4.62189            -0.06649
     C             4.09051             4.08559            -0.25907
     C             5.56168             0.83126             2.71765
     C             4.77876             0.68524             1.49488
     C             5.06771             1.85356             0.69918
     C             6.03494             2.65958             1.40701
     C             6.46084             2.00160             2.61834
     C             1.58809             0.50507             3.18243
     C             1.22807             1.20123             1.95473
     C             2.32856             1.18244             1.08623
     C             3.41091             0.29405             1.64212
     C             2.99161            -0.06459             3.03237
     C             0.13298             4.31358             3.26676
     C             0.54269             4.73462             1.99249
     C             0.69234             3.54182             1.15259
     C             0.43761             2.33610             1.98450
     C             0.05976             2.84731             3.30188
     C             3.12811             7.18351             2.81446
     C             3.53390             6.68747             1.40303
     C             2.46263             5.84696             0.85865
     C             1.31544             5.90738             1.83377
     C             1.72185             6.64195             3.02419
     C             6.47248             4.83237             2.47840
     C             5.97480             4.06161             1.36492
     C             5.08821             4.82931             0.49463
     C             4.79862             6.03401             1.22501
     C             5.61915             6.01566             2.46860
     C             4.39697             2.37494             6.96518
     C             2.97246             2.84857             7.22182
     C             2.92402             4.32825             7.08591
     C             4.32584             4.78456             6.87370
     C             5.11736             3.58399             6.68250
     C             3.83166            -0.09959             4.18691
     C             3.44910             0.35756             5.53597
     C             4.53348             1.19945             6.10790
     C             5.60732             1.18454             5.12396
     C             5.16339             0.40490             3.97461
     C             0.47172             2.22726             4.59712
     C             0.92254             2.89358             5.82824
     C             1.93272             2.06272             6.55172
     C             2.12791             0.86717             5.67726
     C             1.23040             0.98292             4.50034
     C             1.40905             6.18562             4.33424
     C             2.27208             6.32256             5.55515
     C             1.98845             5.07328             6.32464
     C             0.96460             4.30427             5.63594
     C             0.67764             4.97797             4.38666
     C             5.33793             6.50239             3.74595
     C             5.73118             5.75445             4.95302
     C             4.69208             5.88761             6.01556
     C             3.62130             6.71919             5.39697
     C             4.04759             7.11475             3.97966
     C             7.19477             2.54584             3.81556
     C             6.36884             2.30476             5.10117
     C             6.17527             3.51758             5.75141
     C             6.59619             4.66783             4.97426
     C             7.25621             4.27454             3.63995
     C             8.50404             3.78076             2.79397
     C             8.67881             2.86823             4.02528
     C             9.64285             3.96051             1.95479
     H             9.40315             3.71798             0.94380
     C            10.80664             4.04010             2.77082
     H            11.79726             4.38345             2.45033
     C            10.85568             3.51096             4.03127
     H            11.84763             3.48632             4.46597
     C             9.82872             3.00598             4.74904
     H             9.74115             2.90309             5.80793
           70
 Energy:   -456.8239855724673    
     C             4.03527             2.58904            -0.02633
     C             2.57984             2.16279             0.08446
     C             1.75911             3.42388             0.21217
     C             2.67667             4.64370             0.01721
     C             4.07088             4.05921            -0.12713
     C             5.67152             0.86113             2.69461
     C             4.75650             0.78696             1.58627
     C             5.02572             1.95641             0.73029
     C             6.11725             2.70509             1.40902
     C             6.51906             1.96244             2.56536
     C             1.53252             0.45553             3.17537
     C             1.25239             1.25465             2.00477
     C             2.37405             1.02979             1.04664
     C             3.41828             0.27087             1.70934
     C             2.83665            -0.13186             3.01452
     C             0.08869             4.33308             3.32752
     C             0.50350             4.69653             1.94222
     C             0.72208             3.50162             1.13648
     C             0.40721             2.42095             2.02895
     C            -0.00090             2.90452             3.37758
     C             3.11402             7.20182             2.82398
     C             3.49574             6.58958             1.51614
     C             2.37892             5.85993             0.86345
     C             1.30087             5.87566             1.83794
     C             1.74901             6.73620             3.08121
     C             6.56090             4.84902             2.53415
     C             6.05607             4.09611             1.42921
     C             5.08208             4.81644             0.59023
     C             4.81528             6.07861             1.37761
     C             5.73040             5.98645             2.56607
     C             4.29466             2.35505             6.84351
     C             2.93261             2.77041             7.16315
     C             2.95217             4.27999             7.06953
     C             4.33261             4.72756             6.68191
     C             5.15526             3.54002             6.56056
     C             3.76867             0.00746             4.13684
     C             3.37793             0.44708             5.47002
     C             4.49398             1.19756             6.04806
     C             5.54878             1.29115             5.07594
     C             5.17390             0.47876             3.95035
     C             0.55126             2.20983             4.46525
     C             0.85645             2.89377             5.70132
     C             1.80729             2.11380             6.50321
     C             2.02269             0.84961             5.66591
     C             1.19563             0.94123             4.43358
     C             1.43769             6.23671             4.41040
     C             2.31039             6.22735             5.59291
     C             1.93693             5.02829             6.37156
     C             0.99727             4.26936             5.62453
     C             0.58633             4.99305             4.47758
     C             5.27705             6.41835             3.81715
     C             5.77233             5.71183             4.94245
     C             4.69573             5.87514             5.89869
     C             3.64934             6.69191             5.35957
     C             4.00619             7.11230             4.03415
     C             7.23423             2.56523             3.74818
     C             6.57791             2.30692             5.00949
     C             6.26463             3.53332             5.70786
     C             6.72764             4.65357             5.01860
     C             7.43286             4.29722             3.68842
     C             8.79177             3.75051             2.82431
     C             8.86300             2.75256             3.93550
     C             9.92035             4.10877             2.09695
     H            10.05722             4.07210             0.97917
     C            11.17158             4.19494             2.72089
     H            11.92790             4.87645             2.28879
     C            11.29397             3.36926             3.94420
     H            12.18513             3.48737             4.56898
     C            10.03270             2.99967             4.63121
     H            10.11780             2.93657             5.69697
           70
 Energy:   -456.4717664262693    
     C             3.95587             2.70164             0.02951
     C             2.61460             2.16300             0.06031
     C             1.78677             3.41545             0.17718
     C             2.66313             4.60646             0.18500
     C             4.00295             4.15154             0.08350
     C             5.73807             0.80171             2.67807
     C             4.70590             0.86534             1.62362
     C             5.02226             2.03587             0.77198
     C             6.16567             2.69793             1.38698
     C             6.66633             1.96702             2.50533
     C             1.51348             0.38009             3.16650
     C             1.24126             1.23030             1.97884
     C             2.32232             1.03526             0.92653
     C             3.38726             0.28650             1.75709
     C             2.86733            -0.17661             3.03588
     C             0.03762             4.38112             3.33708
     C             0.44373             4.76926             1.97582
     C             0.69926             3.51492             1.19116
     C             0.40033             2.37331             2.09784
     C             0.00352             2.90279             3.34977
     C             3.10246             7.12274             2.89006
     C             3.53050             6.52723             1.61359
     C             2.38434             5.82070             0.87415
     C             1.29381             5.91010             1.90602
     C             1.71297             6.72025             3.07528
     C             6.62061             4.89289             2.50205
     C             6.22602             4.09628             1.38747
     C             5.08067             4.79680             0.75522
     C             4.88373             6.05682             1.53778
     C             5.79563             6.05016             2.60319
     C             4.20428             2.34948             6.74297
     C             2.83715             2.79891             7.03554
     C             3.02918             4.28295             7.00827
     C             4.33524             4.63372             6.57490
     C             5.15909             3.46214             6.49594
     C             3.75958             0.06671             4.08779
     C             3.30456             0.51867             5.41897
     C             4.44173             1.22145             5.99144
     C             5.58739             1.31831             5.07398
     C             5.14285             0.53570             3.92770
     C             0.47166             2.17353             4.42926
     C             0.83014             2.89358             5.58705
     C             1.71245             2.08783             6.41442
     C             1.94662             0.88393             5.66693
     C             1.15040             0.91247             4.46019
     C             1.37493             6.25481             4.40869
     C             2.28825             6.15344             5.58424
     C             1.96264             4.99798             6.45097
     C             0.91182             4.29350             5.69652
     C             0.51751             5.11905             4.51633
     C             5.31135             6.45459             3.80895
     C             5.82431             5.75549             5.01730
     C             4.66642             5.78229             5.91008
     C             3.59133             6.66055             5.36980
     C             3.98405             7.07643             3.96233
     C             7.41121             2.60442             3.63007
     C             6.59205             2.27206             5.01644
     C             6.40309             3.45383             5.72247
     C             6.81286             4.67744             4.96983
     C             7.56748             4.20783             3.55786
     C             9.01455             3.81184             2.79778
     C             9.09682             2.75364             3.86493
     C            10.21219             4.25010             2.19636
     H             9.96017             4.86193             1.20909
     C            11.50508             4.22106             2.80482
     H            12.22197             4.90911             2.37543
     C            11.60337             3.39781             3.86992
     H            12.52773             3.15783             4.40980
     C            10.38549             2.86199             4.49858
     H            10.37030             2.74892             5.58762
           70
 Energy:   -455.9381181295684    
     C             4.03916             2.75558             0.12171
     C             2.59916             2.23050             0.11624
     C             1.71851             3.44826             0.26506
     C             2.58985             4.61600             0.31780
     C             3.98164             4.19751             0.29173
     C             5.72688             0.82734             2.64111
     C             4.70448             0.89223             1.58101
     C             4.99087             2.06462             0.82856
     C             6.23703             2.69631             1.32917
     C             6.77267             1.85583             2.42754
     C             1.51816             0.34969             3.15814
     C             1.16225             1.10389             1.92032
     C             2.24999             1.07848             0.95447
     C             3.36252             0.38086             1.62723
     C             2.92867            -0.11702             2.99494
     C            -0.01743             4.39839             3.36402
     C             0.40205             4.83050             2.04948
     C             0.66896             3.53611             1.20898
     C             0.45641             2.36240             2.00727
     C             0.00069             2.90320             3.31736
     C             3.06310             7.00203             2.90063
     C             3.57329             6.50365             1.64349
     C             2.45420             5.83293             1.05191
     C             1.26260             5.95571             1.89782
     C             1.67214             6.64003             3.10998
     C             6.79645             4.92695             2.44566
     C             6.29168             4.14245             1.30558
     C             5.09421             4.80003             0.86775
     C             4.85720             5.97610             1.55179
     C             5.89432             6.08271             2.59839
     C             4.19766             2.35294             6.70420
     C             2.79180             2.83958             6.91072
     C             2.97784             4.24604             6.93185
     C             4.37020             4.56266             6.61308
     C             5.16436             3.39398             6.48094
     C             3.79886             0.07017             4.13368
     C             3.30806             0.52625             5.37022
     C             4.41404             1.22915             5.94907
     C             5.59973             1.21391             5.07726
     C             5.16335             0.53161             3.90771
     C             0.29134             2.15237             4.49334
     C             0.77666             2.94404             5.63010
     C             1.70939             2.13821             6.37077
     C             1.95698             0.85633             5.60604
     C             1.03173             0.85834             4.42703
     C             1.29009             6.25501             4.41971
     C             2.21717             6.22021             5.53319
     C             1.92918             5.06585             6.39628
     C             0.74165             4.37796             5.73553
     C             0.37931             5.09796             4.51838
     C             5.45351             6.58484             3.88331
     C             5.89750             5.79441             5.02372
     C             4.65045             5.78639             5.93505
     C             3.58532             6.56149             5.35067
     C             4.02741             6.98567             4.04956
     C             7.67339             2.49501             3.69762
     C             6.68359             2.23602             4.88928
     C             6.43230             3.46768             5.75627
     C             6.82925             4.63658             4.87965
     C             7.60619             4.24608             3.43062
     C             9.20441             3.94498             2.81758
     C             9.34874             2.80279             3.81769
     C            10.43278             4.49727             2.25354
     H            10.46815             5.49399             1.66080
     C            11.69105             4.23745             2.81343
     H            12.66750             4.60275             2.58128
     C            11.81091             3.35378             3.93022
     H            12.83979             3.00988             4.07029
     C            10.70354             2.66907             4.35030
     H            10.85229             2.18592             5.35348
           70
 Energy:   -455.0981448836985    
     C             3.93970             2.75318             0.21491
     C             2.54549             2.33446             0.24335
     C             1.72488             3.55318             0.35808
     C             2.64046             4.67503             0.42268
     C             3.94931             4.13939             0.36343
     C             5.68028             0.85505             2.61809
     C             4.74833             0.88918             1.52001
     C             5.08833             2.09382             0.82319
     C             6.32374             2.69421             1.31996
     C             6.91424             1.81888             2.47210
     C             1.49937             0.37068             3.12472
     C             1.03474             1.05882             1.87704
     C             2.25842             1.12612             0.98650
     C             3.39264             0.44677             1.59658
     C             2.91798             0.02720             2.90817
     C            -0.07668             4.30640             3.35360
     C             0.36846             4.77068             1.99799
     C             0.59436             3.60741             1.21894
     C             0.40383             2.38716             2.03454
     C            -0.04855             2.85281             3.33242
     C             3.15600             6.94227             3.05945
     C             3.54004             6.50048             1.71889
     C             2.38532             5.82179             1.12974
     C             1.20870             5.96685             1.92140
     C             1.68278             6.61704             3.15189
     C             6.91196             5.00030             2.26777
     C             6.31188             4.13653             1.29495
     C             5.09299             4.78359             0.83306
     C             4.90082             6.01968             1.63774
     C             5.97535             6.10250             2.60397
     C             4.20254             2.32041             6.71078
     C             2.90616             2.81204             6.85915
     C             2.88294             4.31754             6.81783
     C             4.34530             4.66058             6.71558
     C             5.22199             3.42031             6.52752
     C             3.82660            -0.00989             4.00292
     C             3.33757             0.47607             5.35047
     C             4.47038             1.16604             5.95198
     C             5.70369             1.19428             5.05490
     C             5.21684             0.42568             3.86844
     C             0.14204             2.16130             4.54928
     C             0.59821             2.95005             5.73425
     C             1.74130             2.14867             6.28780
     C             1.93104             0.91062             5.53888
     C             0.93424             0.83179             4.40501
     C             1.14441             6.23458             4.40566
     C             2.15609             6.29168             5.51216
     C             1.78783             5.10606             6.28886
     C             0.63548             4.40312             5.77530
     C             0.24037             5.10379             4.56185
     C             5.59001             6.66801             3.87496
     C             5.93584             5.77667             5.07201
     C             4.76034             5.74791             5.94090
     C             3.58957             6.45942             5.32355
     C             4.07872             6.94565             4.04606
     C             7.86218             2.49304             3.63912
     C             6.71954             2.18432             4.93456
     C             6.40294             3.40359             5.53955
     C             6.79113             4.59115             4.82298
     C             7.77957             4.15403             3.48253
     C             9.37901             4.17415             2.95599
     C             9.56089             2.81771             3.76385
     C            10.54742             4.78818             2.43609
     H            10.47782             5.64085             1.75291
     C            11.85458             4.20983             2.86066
     H            12.62289             4.64335             2.20257
     C            11.98789             3.25652             3.84871
     H            12.92437             3.00520             4.40480
     C            10.82700             2.46752             4.26638
     H            10.96109             1.39631             4.62970
           70
 Energy:   -453.4430538870287    
     C             3.90450             2.71017             0.32171
     C             2.47413             2.39507             0.37963
     C             1.72398             3.61392             0.41769
     C             2.66312             4.69184             0.44434
     C             3.99676             4.17897             0.32067
     C             5.80209             0.83523             2.60576
     C             4.82939             0.90697             1.49438
     C             5.11271             2.07137             0.69878
     C             6.37560             2.68611             1.37516
     C             6.94611             1.86255             2.52242
     C             1.40707             0.44676             3.07718
     C             1.01255             1.17741             1.84978
     C             2.20639             1.16719             0.95929
     C             3.38990             0.52801             1.63016
     C             2.87521             0.09790             2.91696
     C            -0.12804             4.29953             3.35911
     C             0.28075             4.78661             2.06047
     C             0.55300             3.55562             1.20446
     C             0.24262             2.36447             2.06260
     C            -0.16228             2.83214             3.38249
     C             3.08445             6.92788             3.08336
     C             3.54436             6.47187             1.83763
     C             2.38196             5.90461             1.10627
     C             1.15717             5.90940             2.02120
     C             1.66492             6.64562             3.19023
     C             7.05793             4.95378             2.33460
     C             6.34536             4.12065             1.28788
     C             5.11363             4.84895             0.84418
     C             4.90245             6.03511             1.61541
     C             6.07571             6.12651             2.58478
     C             4.36457             2.32166             6.70007
     C             2.85899             2.87756             6.78924
     C             2.88273             4.32252             6.75688
     C             4.38570             4.67985             6.78415
     C             5.22101             3.49576             6.55369
     C             3.81762            -0.03817             3.96148
     C             3.33783             0.39453             5.25121
     C             4.58093             1.08659             5.93609
     C             5.75805             1.08978             5.00099
     C             5.29051             0.33707             3.84732
     C             0.06175             2.07805             4.57944
     C             0.47615             2.87370             5.83428
     C             1.75401             2.19200             6.23637
     C             1.97743             0.96043             5.43741
     C             0.93325             0.89771             4.42938
     C             1.07222             6.29572             4.40851
     C             2.09391             6.23212             5.48905
     C             1.73772             5.05175             6.31611
     C             0.52138             4.34634             5.76469
     C             0.10762             5.08124             4.51683
     C             5.63441             6.58204             3.90924
     C             6.00844             5.74072             5.02012
     C             4.75243             5.75977             5.94487
     C             3.66790             6.43388             5.32500
     C             4.21028             6.95603             4.07537
     C             7.90745             2.48002             3.68395
     C             6.85623             2.13615             4.81300
     C             6.25201             3.39542             5.42211
     C             6.76213             4.55874             4.73221
     C             7.88183             4.22882             3.49238
     C             9.52663             4.35091             3.26248
     C             9.53274             2.85438             3.68909
     C            10.67456             4.94199             2.71904
     H            10.55208             5.66297             2.01706
     C            11.87294             4.26112             2.84031
     H            12.88663             4.45742             2.31837
     C            12.03352             3.10527             3.78701
     H            12.97027             3.15215             4.40177
     C            10.88841             2.30596             4.03063
     H            11.05723             1.21179             4.10061
           70
 Energy:   -454.3693596764481    
     C             3.98110             2.81615             0.32185
     C             2.54838             2.41718             0.38324
     C             1.67915             3.59084             0.48862
     C             2.62073             4.77356             0.36097
     C             4.04631             4.22267             0.26856
     C             5.93290             0.75769             2.57274
     C             4.84343             0.85414             1.54009
     C             5.15873             2.00925             0.70194
     C             6.32748             2.72063             1.34507
     C             6.83584             1.91257             2.48256
     C             1.38032             0.54536             3.09295
     C             1.02248             1.24949             1.90750
     C             2.14478             1.20753             0.99519
     C             3.36455             0.60725             1.63457
     C             2.81045             0.09664             2.95587
     C            -0.25689             4.31010             3.40932
     C             0.23341             4.75956             2.09986
     C             0.46021             3.58970             1.27709
     C             0.09906             2.36496             2.00312
     C            -0.32113             2.84503             3.41476
     C             3.12371             6.97791             3.10913
     C             3.56090             6.44413             1.79777
     C             2.39319             5.93264             1.14910
     C             1.22691             5.90272             2.01200
     C             1.58242             6.68246             3.20653
     C             7.04635             4.90701             2.42700
     C             6.41741             4.17494             1.36263
     C             5.20938             4.83775             0.84351
     C             4.96283             6.05620             1.62634
     C             6.10446             6.12156             2.57625
     C             4.33084             2.30138             6.64325
     C             2.93612             2.83676             6.70738
     C             2.99949             4.29289             6.82630
     C             4.41016             4.66098             6.73326
     C             5.24181             3.46866             6.45971
     C             3.86030            -0.01705             3.95527
     C             3.41392             0.45679             5.29028
     C             4.62185             1.09906             5.90929
     C             5.83840             0.94591             4.97595
     C             5.32855             0.28143             3.76636
     C             0.01809             2.03722             4.61633
     C             0.45044             2.79196             5.80223
     C             1.75107             2.17771             6.22269
     C             2.08631             1.01129             5.37817
     C             1.00689             0.95063             4.35860
     C             1.05619             6.29593             4.49955
     C             2.12963             6.10871             5.50006
     C             1.76396             4.95962             6.32582
     C             0.45464             4.28763             5.75242
     C             0.11434             5.10755             4.55218
     C             5.61364             6.48666             3.85414
     C             5.99526             5.68775             5.01572
     C             4.80723             5.77168             5.96902
     C             3.62397             6.50470             5.35064
     C             4.12386             6.97981             4.06248
     C             7.84023             2.60076             3.65413
     C             6.71319             2.10903             4.81901
     C             6.23648             3.37194             5.37857
     C             6.75469             4.52422             4.69589
     C             7.93959             4.22077             3.55922
     C             9.60844             4.44577             3.61014
     C             9.53649             2.91388             3.66008
     C            10.74623             4.99642             3.00044
     H            10.75909             5.92595             2.54488
     C            11.93240             4.21101             2.94054
     H            12.80670             4.73400             2.34397
     C            11.95526             3.08794             3.66543
     H            12.90672             2.70360             4.12302
     C            10.79575             2.23885             3.66097
     H            10.88108             1.21524             4.03404
           70
 Energy:   -455.2787368944003    
     C             4.03335             2.81908             0.22966
     C             2.62257             2.45392             0.31577
     C             1.70099             3.62870             0.49856
     C             2.61556             4.75722             0.25977
     C             4.04759             4.33954             0.23973
     C             5.86196             0.68174             2.50483
     C             4.77782             0.81790             1.50826
     C             5.12955             2.08380             0.78511
     C             6.29925             2.73927             1.32869
     C             6.74114             1.95789             2.42446
     C             1.50405             0.55719             3.10781
     C             0.96011             1.29535             1.93157
     C             2.25241             1.31146             1.05547
     C             3.32007             0.53745             1.70106
     C             2.86104             0.10618             2.93878
     C            -0.37309             4.39147             3.45697
     C             0.27032             4.82948             2.15126
     C             0.44053             3.63541             1.28841
     C             0.00894             2.40533             2.05345
     C            -0.49178             2.79435             3.40640
     C             3.09490             7.03065             2.99902
     C             3.60472             6.50312             1.76663
     C             2.40384             5.83016             1.13267
     C             1.20825             5.89531             2.02605
     C             1.59541             6.71110             3.23719
     C             6.94685             4.96827             2.50207
     C             6.40580             4.11991             1.39926
     C             5.26312             4.86993             0.81987
     C             5.03036             6.04508             1.58337
     C             6.04235             6.07659             2.62562
     C             4.32430             2.29123             6.50935
     C             2.98933             2.76547             6.73196
     C             3.00376             4.19220             6.89090
     C             4.48203             4.60048             6.63109
     C             5.21540             3.36101             6.32652
     C             3.86012             0.01620             3.96499
     C             3.50870             0.55235             5.26582
     C             4.64923             1.12013             5.87986
     C             5.83034             0.93474             5.01612
     C             5.37025             0.21804             3.79664
     C             0.02139             2.06388             4.53780
     C             0.53530             2.80124             5.74141
     C             1.82381             2.14795             6.22486
     C             2.10569             1.04364             5.36201
     C             1.05672             1.00955             4.37977
     C             1.12564             6.21056             4.52689
     C             2.20528             6.05699             5.53485
     C             1.88745             4.83278             6.31949
     C             0.57051             4.23597             5.81249
     C             0.15280             5.09312             4.65361
     C             5.47015             6.50838             3.86790
     C             5.88671             5.67614             4.98166
     C             4.78324             5.82102             5.95815
     C             3.57815             6.52541             5.43305
     C             4.07538             6.96252             4.09812
     C             7.72156             2.52695             3.62675
     C             6.62585             2.12521             4.73324
     C             6.28256             3.31628             5.42098
     C             6.74100             4.50765             4.80004
     C             7.93935             4.29005             3.69590
     C             9.59226             4.46193             3.80451
     C             9.36420             2.95847             3.63627
     C            10.78991             5.04803             3.31274
     H            10.80872             6.14405             3.23074
     C            11.91976             4.31110             3.06856
     H            12.89453             4.72233             2.57402
     C            11.86305             2.89541             3.49246
     H            12.71893             2.24134             3.69837
     C            10.59730             2.29212             3.40913
     H            10.60659             1.22727             3.59096
           70
 Energy:   -455.9005385484479    
     C             4.01253             2.90323             0.10541
     C             2.60073             2.46849             0.30283
     C             1.73685             3.61160             0.40057
     C             2.68227             4.74278             0.28174
     C             4.08736             4.26775             0.13996
     C             5.74409             0.70618             2.52731
     C             4.69711             0.87400             1.42253
     C             4.98980             2.14887             0.80230
     C             6.24514             2.69286             1.37041
     C             6.74163             1.84031             2.45516
     C             1.53708             0.54745             3.12133
     C             1.00695             1.32718             1.90302
     C             2.31784             1.36196             1.12880
     C             3.37505             0.49914             1.63301
     C             2.94767             0.07948             2.96892
     C            -0.38862             4.42733             3.49627
     C             0.25451             4.85642             2.22348
     C             0.54545             3.66687             1.30348
     C             0.04966             2.45538             2.05949
     C            -0.57507             2.88439             3.38663
     C             3.08214             7.07927             3.02970
     C             3.60972             6.50733             1.66204
     C             2.41127             5.83843             1.13765
     C             1.23947             5.93594             2.07346
     C             1.69242             6.65298             3.22121
     C             6.88792             4.95382             2.56996
     C             6.34182             4.16318             1.41566
     C             5.21645             4.89785             0.74040
     C             4.98114             6.11007             1.54121
     C             5.87942             6.10668             2.69554
     C             4.35909             2.27127             6.47277
     C             3.00796             2.67137             6.86909
     C             3.08175             4.11501             6.89461
     C             4.43029             4.51852             6.60473
     C             5.18715             3.39384             6.25771
     C             3.91463             0.00308             3.96017
     C             3.42232             0.55676             5.16341
     C             4.63569             1.06094             5.82645
     C             5.82051             1.03125             4.94447
     C             5.35883             0.16925             3.83347
     C             0.11548             2.11482             4.51765
     C             0.71060             2.83217             5.72360
     C             1.85732             2.12725             6.21675
     C             2.12601             1.01180             5.39875
     C             1.11117             0.98359             4.35788
     C             1.27533             6.12764             4.49865
     C             2.24625             6.01013             5.59359
     C             1.98499             4.82224             6.31275
     C             0.78595             4.23983             5.84056
     C             0.19166             5.00746             4.72807
     C             5.35518             6.50825             3.90078
     C             5.78154             5.69738             4.99670
     C             4.70687             5.72984             5.98098
     C             3.58256             6.51909             5.42857
     C             3.98045             6.98248             4.10835
     C             7.60395             2.63086             3.55672
     C             6.67413             2.12653             4.69737
     C             6.32128             3.29546             5.46521
     C             6.71550             4.58337             4.96322
     C             7.70577             4.25131             3.76745
     C             9.43273             4.43546             3.84255
     C             9.23174             2.95001             3.57818
     C            10.74677             5.10741             3.70177
     H            10.86454             6.28792             3.75727
     C            11.87833             4.26460             3.27540
     H            12.85824             4.68839             3.05633
     C            11.71364             2.80720             3.19727
     H            12.61900             2.23841             3.15393
     C            10.37600             2.24902             3.29495
     H            10.20588             1.32775             2.75307
           70
 Energy:   -457.6619781273611    
     C             3.93732             2.78591             0.04020
     C             2.58860             2.43627             0.27365
     C             1.72089             3.65150             0.35381
     C             2.69589             4.77683             0.34146
     C             4.05883             4.33134             0.01229
     C             5.68747             0.74141             2.51066
     C             4.73581             0.93401             1.46257
     C             4.97693             2.16961             0.75125
     C             6.13659             2.75287             1.41773
     C             6.70602             1.76597             2.44527
     C             1.53524             0.51534             3.05428
     C             1.14155             1.33482             1.96326
     C             2.27609             1.35112             1.08711
     C             3.35308             0.52016             1.58589
     C             2.92911             0.00917             2.83862
     C            -0.31961             4.40184             3.51801
     C             0.32517             4.87179             2.18438
     C             0.63718             3.72312             1.37145
     C             0.20629             2.48917             2.00224
     C            -0.39820             2.94281             3.43102
     C             3.11381             7.06022             2.99088
     C             3.50872             6.62366             1.72310
     C             2.40083             5.88989             1.11890
     C             1.28876             5.92692             2.05229
     C             1.77783             6.57072             3.27497
     C             6.74347             4.95147             2.58331
     C             6.25690             4.16129             1.42115
     C             5.19768             4.94389             0.71910
     C             4.86606             6.13736             1.48819
     C             5.79953             6.09592             2.63022
     C             4.36937             2.16257             6.58618
     C             3.02383             2.62374             6.97834
     C             3.05335             4.07296             6.94054
     C             4.37003             4.51080             6.63741
     C             5.16449             3.34582             6.32231
     C             3.88410            -0.09896             3.92259
     C             3.44664             0.44647             5.18574
     C             4.57362             1.08014             5.77347
     C             5.80014             1.03827             4.84572
     C             5.30860             0.25116             3.73151
     C             0.21983             2.20709             4.54016
     C             0.84344             2.84469             5.70550
     C             1.91807             2.04776             6.29557
     C             2.09879             0.92267             5.39571
     C             1.09760             0.96217             4.35742
     C             1.33372             6.04694             4.50479
     C             2.29341             6.03861             5.58605
     C             2.06209             4.85988             6.39364
     C             0.87700             4.21553             5.80379
     C             0.33476             5.00991             4.68469
     C             5.29188             6.49353             3.93193
     C             5.76086             5.69320             5.12116
     C             4.60938             5.67899             5.97043
     C             3.57683             6.47983             5.43192
     C             3.96421             7.03438             4.15130
     C             7.52182             2.59785             3.45218
     C             6.69738             2.20790             4.82061
     C             6.31736             3.38461             5.53678
     C             6.75468             4.64750             5.01578
     C             7.54888             4.32761             3.72956
     C             9.21995             4.49081             3.81055
     C             9.06086             2.99331             3.53427
     C            10.57329             4.94313             4.04330
     H            10.82640             6.07688             4.35832
     C            11.69882             4.14706             3.55940
     H            12.60215             4.59871             3.58779
     C            11.45375             2.87442             2.95324
     H            12.18836             2.28631             2.42203
     C            10.21912             2.19490             3.08114
     H            10.05868             1.33150             2.42275
           70
 Energy:   -459.0337005987781    
     C             3.97279             2.83362            -0.00989
     C             2.47016             2.46974             0.17636
     C             1.76595             3.69720             0.42793
     C             2.63793             4.81828             0.28686
     C             4.01500             4.29943            -0.03732
     C             5.75641             0.76418             2.39241
     C             4.66679             0.94480             1.44006
     C             5.03105             2.11278             0.70434
     C             6.08982             2.79729             1.41669
     C             6.63253             1.95450             2.33412
     C             1.51148             0.47020             3.09051
     C             1.20215             1.38685             1.97005
     C             2.23125             1.30143             0.93999
     C             3.34954             0.56538             1.52820
     C             2.84004            -0.10600             2.78808
     C            -0.09358             4.43941             3.44390
     C             0.40099             4.86009             2.16076
     C             0.70250             3.71240             1.31659
     C             0.38618             2.50855             2.12471
     C            -0.06003             2.88789             3.40195
     C             3.10198             7.06554             3.12517
     C             3.50929             6.70457             1.68830
     C             2.39363             5.99209             1.09974
     C             1.30199             5.93005             2.06664
     C             1.77209             6.51747             3.26873
     C             6.56425             4.96252             2.49299
     C             6.13191             4.19553             1.41791
     C             5.09120             4.94362             0.65461
     C             4.79380             6.15107             1.50511
     C             5.73610             6.10258             2.64811
     C             4.36936             2.12013             6.75145
     C             3.00283             2.58174             7.02873
     C             2.99572             4.06313             7.07062
     C             4.37290             4.44616             6.72244
     C             5.18591             3.28596             6.52237
     C             3.79969            -0.19760             3.84181
     C             3.44082             0.27197             5.19483
     C             4.61861             1.08595             5.75170
     C             5.72471             1.09895             4.87392
     C             5.22302             0.32765             3.65612
     C             0.37768             2.17669             4.55618
     C             0.90180             2.80605             5.74851
     C             1.93167             1.92184             6.34754
     C             2.12112             0.78823             5.43042
     C             1.07326             0.94727             4.33580
     C             1.36562             6.09110             4.51112
     C             2.24321             6.05628             5.62261
     C             1.95812             4.90051             6.45953
     C             0.88823             4.23206             5.78484
     C             0.47697             4.97855             4.62131
     C             5.39609             6.47135             3.93305
     C             5.82556             5.74470             5.11136
     C             4.61950             5.67957             5.99735
     C             3.56167             6.53071             5.42390
     C             4.05772             7.05137             4.16167
     C             7.39516             2.61234             3.54550
     C             6.69239             2.27227             4.87365
     C             6.31448             3.44428             5.66081
     C             6.72440             4.64546             5.00164
     C             7.43658             4.28235             3.59558
     C             9.08601             4.44869             3.82576
     C             8.90932             3.00090             3.41205
     C            10.33461             4.71929             4.26695
     H            10.49055             5.46106             5.11890
     C            11.38668             3.99759             3.81274
     H            12.35557             4.24623             4.07037
     C            11.18960             2.97069             2.80609
     H            11.88562             2.89284             1.94513
     C             9.93835             2.33682             2.83908
     H             9.85596             1.24257             2.68424
           70
 Energy:   -457.4961397380367    
     C             3.92781             2.87229            -0.06135
     C             2.54873             2.47605             0.07346
     C             1.78508             3.71159             0.43606
     C             2.64053             4.89333             0.19218
     C             3.94425             4.33510            -0.00606
     C             5.77055             0.80368             2.38381
     C             4.69211             0.91248             1.29841
     C             4.95805             2.17278             0.56669
     C             6.05475             2.86626             1.22633
     C             6.60319             2.07224             2.39377
     C             1.48701             0.46711             3.02251
     C             1.19396             1.31964             1.90937
     C             2.20050             1.28381             0.84640
     C             3.26237             0.47229             1.50037
     C             2.80840            -0.14326             2.73971
     C             0.17042             4.30684             3.42092
     C             0.46089             4.85558             2.07197
     C             0.67624             3.64960             1.30710
     C             0.59382             2.52827             2.13682
     C             0.21169             2.96478             3.47176
     C             3.13704             7.08817             3.10057
     C             3.51931             6.76384             1.71387
     C             2.37682             6.05614             1.02477
     C             1.33227             5.97373             2.02919
     C             1.76771             6.59837             3.28082
     C             6.51743             4.93633             2.44512
     C             5.97523             4.24815             1.29549
     C             4.97399             4.99213             0.65085
     C             4.80706             6.16091             1.50966
     C             5.70599             6.08581             2.62082
     C             4.37761             2.06857             6.79956
     C             2.97432             2.51157             7.07973
     C             2.95907             4.09870             7.13048
     C             4.35610             4.50644             6.83080
     C             5.28067             3.31394             6.75449
     C             3.84586            -0.21930             3.81749
     C             3.46534             0.19948             5.22718
     C             4.51369             0.99327             5.86273
     C             5.65894             1.19304             4.81536
     C             5.24335             0.38916             3.64490
     C             0.51211             2.11760             4.54715
     C             0.90528             2.74100             5.80299
     C             1.90967             1.85416             6.37280
     C             2.09503             0.65985             5.49037
     C             1.21133             0.81471             4.40662
     C             1.33289             6.15034             4.56058
     C             2.24968             6.14009             5.73235
     C             1.89481             4.90376             6.55118
     C             0.83741             4.15643             5.80415
     C             0.53771             4.95179             4.59216
     C             5.46801             6.57968             3.95624
     C             5.85702             5.75909             5.10600
     C             4.73205             5.64982             6.05811
     C             3.62487             6.53217             5.49831
     C             4.11849             7.01977             4.18114
     C             7.19355             2.64745             3.60137
     C             6.55379             2.21850             4.91220
     C             6.35532             3.36660             5.73614
     C             6.61456             4.59687             4.96007
     C             7.21828             4.36140             3.56594
     C             8.88557             4.27566             3.86033
     C             8.67354             2.97086             3.26422
     C            10.07155             4.58417             4.51309
     H            10.11468             4.93552             5.49556
     C            11.15447             3.79391             3.95502
     H            12.12015             3.74611             4.52315
     C            10.91868             3.14748             2.72161
     H            11.66532             3.28406             1.90707
     C             9.75594             2.41340             2.61360
     H             9.77822             1.30613             2.45301
           70
 Energy:   -456.0330157770174    
     C             3.88340             2.97052            -0.14883
     C             2.53601             2.45025             0.10357
     C             1.75907             3.67880             0.24694
     C             2.55077             4.93145             0.17146
     C             3.91603             4.43659            -0.03077
     C             5.63669             0.91971             2.36824
     C             4.71877             0.85516             1.20024
     C             4.92076             2.16097             0.44950
     C             6.04815             2.84060             1.10433
     C             6.37719             2.06267             2.27742
     C             1.56641             0.37528             2.99649
     C             1.14726             1.21424             1.80088
     C             2.25365             1.23956             0.81994
     C             3.35626             0.37340             1.36006
     C             2.91800            -0.10454             2.76217
     C             0.35281             4.36094             3.44725
     C             0.49720             4.84331             2.09509
     C             0.73801             3.67897             1.23201
     C             0.64041             2.49510             2.13162
     C             0.45108             2.85271             3.44223
     C             3.19059             7.11310             3.06371
     C             3.52183             6.75855             1.68784
     C             2.42175             6.12749             0.98246
     C             1.30453             6.04462             1.97115
     C             1.78561             6.72601             3.31186
     C             6.47845             4.91205             2.37936
     C             6.01132             4.27043             1.19684
     C             4.91966             5.11407             0.68528
     C             4.77922             6.27997             1.50679
     C             5.75203             6.13795             2.62423
     C             4.37449             2.09099             6.84233
     C             2.98591             2.56933             7.10751
     C             2.97433             4.03308             7.12849
     C             4.42830             4.56193             6.95747
     C             5.28812             3.31050             6.86677
     C             3.89828            -0.13967             3.85061
     C             3.44325             0.16678             5.25878
     C             4.54186             0.95199             5.88428
     C             5.46573             1.13854             4.88727
     C             5.24630             0.41688             3.64834
     C             0.60468             2.00546             4.55962
     C             0.87985             2.64563             5.80148
     C             1.92730             1.81492             6.46413
     C             2.14553             0.57031             5.60455
     C             1.25753             0.74702             4.34018
     C             1.34726             6.20706             4.64147
     C             2.26852             6.18218             5.83881
     C             1.90206             4.88445             6.60279
     C             0.85041             4.14852             5.86626
     C             0.55901             4.97551             4.69178
     C             5.48464             6.63817             3.95403
     C             5.84187             5.72683             5.16650
     C             4.76296             5.71029             6.10581
     C             3.70803             6.47203             5.59153
     C             4.03410             7.02996             4.22826
     C             6.98854             2.63751             3.54082
     C             6.42576             2.20305             4.87792
     C             6.32374             3.33471             5.79491
     C             6.47423             4.52005             5.00653
     C             7.13449             4.32606             3.65141
     C             8.67393             4.26708             3.93553
     C             8.44201             2.93629             3.14067
     C             9.83320             4.28467             4.67378
     H             9.85461             4.76867             5.55196
     C            10.91615             3.71262             4.10350
     H            11.85218             3.27716             4.71049
     C            10.73350             3.31588             2.69252
     H            11.54882             3.28289             1.91273
     C             9.56501             2.44721             2.45583
     H             9.68449             1.66872             1.63199
           70
 Energy:   -454.4978786704160    
     C             3.92163             2.99881            -0.17292
     C             2.50350             2.47164             0.09977
     C             1.62926             3.71277             0.09930
     C             2.51243             4.93541             0.12661
     C             3.88209             4.51249            -0.08525
     C             5.39524             0.92168             2.32551
     C             4.70202             0.86444             1.09516
     C             4.95223             2.09970             0.31484
     C             5.98335             2.85575             1.01662
     C             6.20656             2.12402             2.21070
     C             1.67152             0.29870             2.96126
     C             1.21725             1.09485             1.76761
     C             2.34454             1.14600             0.79863
     C             3.44143             0.31609             1.30141
     C             3.11426            -0.05762             2.69224
     C             0.43754             4.29198             3.52436
     C             0.61789             4.86661             2.14669
     C             0.75955             3.68579             1.22695
     C             0.61896             2.41684             1.94637
     C             0.56242             2.87861             3.41576
     C             3.13413             7.13532             3.12922
     C             3.50434             6.82627             1.70037
     C             2.35005             6.12339             1.02277
     C             1.27274             6.16308             2.02545
     C             1.73806             6.74776             3.30930
     C             6.52138             4.94994             2.46563
     C             6.08686             4.29397             1.15697
     C             4.99664             5.13736             0.62516
     C             4.88538             6.35534             1.50655
     C             5.80165             6.23372             2.62024
     C             4.36703             2.11072             6.88288
     C             3.03274             2.58973             7.07286
     C             3.09080             4.07858             7.12205
     C             4.47661             4.52096             7.05755
     C             5.26793             3.27498             6.82193
     C             3.85029            -0.08104             3.89435
     C             3.50871             0.14576             5.32547
     C             4.49175             0.99841             5.97718
     C             5.58218             1.09409             4.91362
     C             5.14736             0.45211             3.66864
     C             0.62559             1.99554             4.49977
     C             0.91909             2.62575             5.85225
     C             1.93391             1.79870             6.53649
     C             2.11783             0.56413             5.59508
     C             1.30948             0.67656             4.38164
     C             1.43589             6.28474             4.70823
     C             2.30383             6.10797             5.90399
     C             2.01533             4.83665             6.62542
     C             0.91905             4.12031             5.92768
     C             0.58425             5.01704             4.76098
     C             5.43191             6.55612             4.01818
     C             5.78380             5.75050             5.20211
     C             4.73016             5.74002             6.24086
     C             3.59288             6.51494             5.59885
     C             4.04980             7.02556             4.27396
     C             6.78462             2.60492             3.38209
     C             6.29949             2.21848             4.85511
     C             6.19449             3.28127             5.77330
     C             6.40566             4.50753             5.07402
     C             6.98264             4.18826             3.68020
     C             8.53831             4.12840             3.97107
     C             8.35873             2.91674             3.09002
     C             9.59430             4.10048             4.83138
     H             9.65441             4.57110             5.77761
     C            10.69801             3.58123             4.09736
     H            11.70933             3.27858             4.67898
     C            10.58111             3.29799             2.76078
     H            11.47386             3.43324             2.11587
     C             9.45265             2.67111             2.29275
     H             9.28393             2.24254             1.29770
           70
 Energy:   -452.7875355347033    
     C             3.85638             2.94580            -0.16779
     C             2.54302             2.48006            -0.00818
     C             1.60130             3.76809             0.12837
     C             2.50756             5.00724             0.09555
     C             3.94369             4.47877            -0.08661
     C             5.34015             0.97009             2.32878
     C             4.67544             0.85719             0.97149
     C             4.98229             2.14409             0.15734
     C             5.93429             2.89756             1.00015
     C             6.05017             2.10300             2.19274
     C             1.75387             0.30006             2.95917
     C             1.32887             1.08870             1.75261
     C             2.34243             1.13774             0.70890
     C             3.39605             0.31895             1.25113
     C             3.08342            -0.09780             2.68211
     C             0.50219             4.28802             3.51026
     C             0.69606             4.82751             2.24181
     C             0.67078             3.72414             1.23459
     C             0.62200             2.35627             1.95274
     C             0.50405             2.82031             3.32764
     C             3.11170             7.16386             3.17789
     C             3.54153             6.85932             1.78174
     C             2.31600             6.13150             1.06866
     C             1.23221             6.12130             2.13597
     C             1.71666             6.74614             3.41289
     C             6.54917             5.01205             2.48346
     C             6.12737             4.33789             1.21828
     C             5.09174             5.18828             0.54300
     C             4.89013             6.36273             1.44157
     C             5.84644             6.23304             2.72015
     C             4.37742             2.09199             6.88029
     C             3.02455             2.59355             7.07151
     C             3.14716             4.05835             7.19081
     C             4.53184             4.51216             7.04286
     C             5.23825             3.24516             6.78315
     C             3.84429            -0.08331             3.93302
     C             3.45972             0.18189             5.37900
     C             4.59544             0.97806             6.00011
     C             5.63829             0.99412             4.96858
     C             5.11752             0.51481             3.69242
     C             0.68087             2.04436             4.52253
     C             0.93903             2.66723             5.81906
     C             1.94788             1.80369             6.48591
     C             2.16625             0.58150             5.60546
     C             1.33335             0.68192             4.33845
     C             1.37104             6.20694             4.72068
     C             2.29781             6.06414             5.85551
     C             2.11196             4.82438             6.58404
     C             1.02115             4.10121             5.96399
     C             0.64467             4.95223             4.76030
     C             5.34094             6.45765             4.06196
     C             5.72567             5.71496             5.29239
     C             4.66340             5.78167             6.33229
     C             3.63455             6.56704             5.67720
     C             4.02305             6.99977             4.27940
     C             6.78952             2.61687             3.36763
     C             6.31814             2.23534             4.75260
     C             6.08812             3.31648             5.65806
     C             6.37795             4.52450             5.07614
     C             6.79323             4.19940             3.68822
     C             8.33780             3.94036             4.10085
     C             8.25587             2.86697             3.04415
     C             9.47347             3.97573             4.83318
     H             9.47434             4.10881             5.96035
     C            10.55902             3.47165             4.21648
     H            11.60631             3.63025             4.67225
     C            10.55046             3.19345             2.79511
     H            11.44372             3.43423             2.20471
     C             9.30427             2.93681             2.12034
     H             9.20674             2.62337             1.09158
           70
 Energy:   -453.0950057047760    
     C             3.86793             3.01172            -0.26496
     C             2.41952             2.49126            -0.06140
     C             1.71526             3.77649             0.22530
     C             2.57749             5.05402             0.16063
     C             3.98023             4.43904            -0.04050
     C             5.34807             0.96037             2.29247
     C             4.70339             0.83609             0.97943
     C             4.98761             2.17438             0.16230
     C             5.94204             2.95066             1.07701
     C             6.08303             2.21290             2.24860
     C             1.66245             0.42787             2.93862
     C             1.30116             1.23399             1.77183
     C             2.24709             1.22460             0.61482
     C             3.35564             0.32181             1.16322
     C             3.01941            -0.19613             2.74648
     C             0.48415             4.14180             3.52818
     C             0.63185             4.77188             2.21115
     C             0.65803             3.68504             1.24375
     C             0.61415             2.41288             2.01471
     C             0.36014             2.76669             3.41717
     C             3.12291             7.16900             3.23323
     C             3.50766             6.77852             1.80246
     C             2.38643             6.20173             1.15431
     C             1.33059             6.01718             2.19792
     C             1.72427             6.72461             3.47121
     C             6.52607             5.02728             2.42680
     C             6.10637             4.37184             1.23709
     C             5.12517             5.20610             0.53422
     C             4.86047             6.40310             1.53673
     C             5.73310             6.20611             2.69337
     C             4.39406             2.04630             6.84143
     C             3.03200             2.52715             7.11443
     C             3.09129             4.02116             7.25997
     C             4.48333             4.50779             7.04474
     C             5.26289             3.27152             6.72511
     C             3.86048            -0.11823             3.91366
     C             3.55091             0.21209             5.34595
     C             4.68752             0.85037             5.98740
     C             5.67248             1.03456             4.90622
     C             5.15484             0.47270             3.66165
     C             0.70636             2.03917             4.47761
     C             1.00437             2.67705             5.75550
     C             1.96994             1.88203             6.39907
     C             2.14171             0.66989             5.60465
     C             1.35876             0.79481             4.30850
     C             1.32043             6.09124             4.72563
     C             2.32189             6.11830             5.80418
     C             2.15260             4.82847             6.55393
     C             1.07759             4.09017             5.87770
     C             0.68400             4.77525             4.73165
     C             5.30348             6.41924             4.09753
     C             5.69366             5.73906             5.30531
     C             4.72716             5.76841             6.33669
     C             3.61975             6.62348             5.73285
     C             3.98266             6.97392             4.36229
     C             6.76941             2.61732             3.38136
     C             6.37855             2.19164             4.78253
     C             6.07639             3.25906             5.60327
     C             6.31434             4.53825             5.04472
     C             6.82546             4.27498             3.59835
     C             8.15033             3.74808             4.24199
     C             8.19754             2.92769             2.92168
     C             9.34154             3.80117             4.87451
     H             9.37018             4.09704             6.02699
     C            10.57330             3.41652             4.21188
     H            11.45003             3.57235             4.80020
     C            10.51020             3.14921             2.82097
     H            11.43044             3.05996             2.27852
     C             9.24480             3.09047             2.09468
     H             9.28389             3.17293             1.05241
           70
 Energy:   -453.6116231910000    
     C             3.89485             2.99576            -0.34402
     C             2.48018             2.59273            -0.10441
     C             1.76855             3.80760             0.33156
     C             2.68219             5.00115             0.34593
     C             3.97656             4.55918            -0.00876
     C             5.46315             0.96936             2.28037
     C             4.67822             0.88619             1.03654
     C             4.95730             2.20982             0.31576
     C             5.90355             2.97546             1.09909
     C             6.06161             2.16421             2.25598
     C             1.64855             0.52665             2.93513
     C             1.24029             1.35750             1.78082
     C             2.18242             1.27821             0.67707
     C             3.30684             0.33605             1.15914
     C             2.91243            -0.17741             2.65476
     C             0.30465             4.15801             3.51132
     C             0.56618             4.76887             2.20962
     C             0.77740             3.65935             1.25983
     C             0.49707             2.49378             2.04527
     C             0.21031             2.73206             3.36758
     C             3.11303             7.11292             3.28615
     C             3.52276             6.81009             1.91649
     C             2.42141             6.08582             1.20202
     C             1.40788             5.92371             2.19932
     C             1.73185             6.61184             3.43189
     C             6.46130             5.08598             2.40941
     C             6.08995             4.39767             1.16323
     C             5.02665             5.23902             0.62024
     C             4.78775             6.35496             1.55609
     C             5.62256             6.17292             2.71751
     C             4.46363             1.99417             6.81049
     C             3.08537             2.48720             7.15409
     C             3.07371             4.03240             7.26036
     C             4.44206             4.45349             7.06252
     C             5.20922             3.22373             6.70174
     C             3.88018            -0.16265             3.86899
     C             3.52932             0.17863             5.28321
     C             4.72241             0.85283             5.96711
     C             5.68930             1.00105             4.81570
     C             5.20936             0.37716             3.54329
     C             0.61656             2.01724             4.54812
     C             1.07205             2.67420             5.69732
     C             2.04469             1.87837             6.39628
     C             2.28870             0.70611             5.47936
     C             1.42137             0.85572             4.32659
     C             1.38749             6.05853             4.68373
     C             2.25261             6.07926             5.89556
     C             2.07798             4.79831             6.55898
     C             1.13703             4.03019             5.81339
     C             0.72550             4.80249             4.67084
     C             5.29778             6.49602             4.05642
     C             5.78210             5.71232             5.20792
     C             4.69332             5.76596             6.34965
     C             3.61777             6.61900             5.75587
     C             4.02643             7.03672             4.39100
     C             6.69306             2.67288             3.43138
     C             6.46924             2.16462             4.79607
     C             6.17879             3.30934             5.66622
     C             6.32825             4.47763             4.94428
     C             6.88727             4.31760             3.55258
     C             8.24842             3.57997             4.34303
     C             8.21840             3.04979             2.82367
     C             9.38424             3.61286             5.01959
     H             9.53462             4.26224             5.98433
     C            10.48654             3.41901             4.20186
     H            11.38575             3.22778             4.59800
     C            10.49593             3.13367             2.84774
     H            11.33039             2.69750             2.39614
     C             9.35717             3.21505             2.13251
     H             9.29277             3.46744             1.13548
           70
 Energy:   -453.7605478325243    
     C             3.97391             3.06459            -0.30373
     C             2.58586             2.60124            -0.05065
     C             1.83856             3.80173             0.35699
     C             2.67892             4.88097             0.47004
     C             3.97897             4.55738            -0.06854
     C             5.47312             0.84536             2.21935
     C             4.56675             0.95457             1.07884
     C             4.83039             2.22451             0.39230
     C             5.85081             2.98014             1.11756
     C             6.14176             2.19494             2.26150
     C             1.67730             0.57624             2.93620
     C             1.22048             1.32296             1.79288
     C             2.25238             1.37527             0.73752
     C             3.27744             0.43736             1.25136
     C             2.92001            -0.05251             2.55757
     C             0.03361             4.31679             3.49301
     C             0.53636             4.78256             2.24229
     C             0.78841             3.73458             1.36589
     C             0.36062             2.44946             1.95348
     C             0.01747             2.79926             3.43478
     C             3.07248             7.08832             3.30406
     C             3.45417             6.84399             1.90551
     C             2.46901             5.98715             1.32681
     C             1.34487             5.87860             2.19661
     C             1.81157             6.50731             3.41566
     C             6.47142             5.05055             2.44071
     C             6.06696             4.44582             1.16447
     C             4.97316             5.26359             0.66932
     C             4.73870             6.33074             1.62210
     C             5.62052             6.16734             2.70075
     C             4.47073             1.99013             6.82806
     C             3.12676             2.47848             7.14792
     C             3.07639             3.95881             7.23455
     C             4.47656             4.44677             6.99131
     C             5.27497             3.24180             6.67903
     C             3.85761            -0.22934             3.67174
     C             3.63901             0.10804             5.16356
     C             4.69058             0.86435             5.80334
     C             5.73589             0.92812             4.80758
     C             5.23187             0.28712             3.53555
     C             0.48538             1.97956             4.52547
     C             1.08568             2.63263             5.76245
     C             2.12554             1.77544             6.36659
     C             2.36126             0.76321             5.39975
     C             1.42410             0.87440             4.28081
     C             1.47365             6.07536             4.69004
     C             2.25133             6.07877             5.94711
     C             2.01935             4.74241             6.64974
     C             1.11673             4.04345             5.73619
     C             0.70125             4.85469             4.64713
     C             5.36569             6.58298             4.08097
     C             5.71410             5.70985             5.21536
     C             4.72936             5.68685             6.27756
     C             3.58229             6.53242             5.76942
     C             4.00081             7.13067             4.39584
     C             6.77598             2.75688             3.36964
     C             6.47648             2.14813             4.80122
     C             6.30204             3.28492             5.70143
     C             6.40734             4.52874             4.96074
     C             6.99525             4.33357             3.57524
     C             8.31231             3.52939             4.41088
     C             8.31534             3.04451             2.84661
     C             9.47717             3.53932             5.10136
     H             9.64694             3.89007             6.17560
     C            10.59251             3.31274             4.27500
     H            11.47168             3.23997             4.81870
     C            10.58221             3.13389             2.86618
     H            11.47884             2.71070             2.48549
     C             9.41126             3.34975             2.07310
     H             9.47853             3.38319             0.97795
           70
 Energy:   -455.3163078419282    
     C             3.89408             3.09923            -0.25379
     C             2.56606             2.59158             0.05689
     C             1.77600             3.68448             0.45661
     C             2.67665             4.90696             0.42807
     C             3.98238             4.54120            -0.05174
     C             5.54019             0.88737             2.22024
     C             4.60164             1.00824             1.10145
     C             4.86336             2.29008             0.41484
     C             5.83724             2.99278             1.16052
     C             6.19506             2.08231             2.21268
     C             1.68949             0.55369             2.89631
     C             1.15816             1.32533             1.73961
     C             2.28662             1.43874             0.77473
     C             3.29426             0.60579             1.28071
     C             2.98394             0.06075             2.58441
     C            -0.12573             4.34500             3.57343
     C             0.41957             4.83924             2.24967
     C             0.71392             3.67336             1.34218
     C             0.27202             2.47070             2.02452
     C            -0.21415             2.87867             3.45087
     C             3.11381             7.17404             3.23811
     C             3.44203             6.79476             1.85887
     C             2.40529             5.92116             1.32965
     C             1.33667             5.95505             2.28221
     C             1.80234             6.52493             3.51133
     C             6.52013             5.03692             2.46168
     C             6.02948             4.38677             1.26595
     C             5.02623             5.25604             0.61484
     C             4.75088             6.37871             1.65907
     C             5.73609             6.21503             2.79455
     C             4.53698             1.99113             6.73487
     C             3.13485             2.40167             7.07037
     C             3.13885             3.90683             7.18917
     C             4.48780             4.40799             6.88650
     C             5.39313             3.22384             6.69955
     C             3.90323            -0.28725             3.60848
     C             3.58237             0.13166             5.00454
     C             4.69620             0.87988             5.71505
     C             5.78825             0.92536             4.73878
     C             5.29960             0.23092             3.47286
     C             0.45155             2.01009             4.53095
     C             0.97939             2.58202             5.77973
     C             2.10844             1.79589             6.30581
     C             2.35244             0.68278             5.29389
     C             1.36749             0.88848             4.23022
     C             1.43115             6.02166             4.75675
     C             2.27876             6.02440             5.94649
     C             2.02178             4.74277             6.66913
     C             1.03159             4.00032             5.78908
     C             0.57795             4.88200             4.70681
     C             5.35809             6.64447             4.14676
     C             5.72515             5.69627             5.20923
     C             4.65290             5.62561             6.16888
     C             3.63524             6.48987             5.75194
     C             3.99179             7.12767             4.44444
     C             6.97353             2.64490             3.35703
     C             6.49786             2.18830             4.70102
     C             6.35935             3.27367             5.64958
     C             6.54498             4.59420             5.09838
     C             7.12561             4.35369             3.66526
     C             8.36070             3.60308             4.39617
     C             8.44865             3.06617             2.89157
     C             9.57204             3.49799             5.10206
     H             9.52804             3.32313             6.14327
     C            10.79372             3.17625             4.37180
     H            11.84113             3.28646             4.77215
     C            10.72431             3.18573             2.88453
     H            11.62081             3.04221             2.25039
     C             9.55048             3.31817             2.16145
     H             9.60304             3.36825             1.01013
           70
 Energy:   -455.8467458902504    
     C             3.84450             3.01789            -0.17944
     C             2.47613             2.60808             0.12577
     C             1.72784             3.78528             0.51568
     C             2.51228             4.91458             0.34455
     C             3.94894             4.56987             0.00068
     C             5.59743             0.91788             2.18502
     C             4.74765             1.05875             1.04941
     C             4.94786             2.32994             0.36607
     C             5.93315             2.97718             1.25820
     C             6.42270             2.10952             2.22208
     C             1.60333             0.53010             2.85042
     C             1.05689             1.38445             1.76871
     C             2.17882             1.40172             0.80800
     C             3.40249             0.67965             1.31639
     C             3.02879             0.09205             2.59224
     C            -0.14594             4.34128             3.58874
     C             0.28837             4.87403             2.28919
     C             0.51503             3.71771             1.41119
     C             0.24173             2.46737             2.14906
     C            -0.26934             2.78450             3.46203
     C             3.11082             7.21797             3.32270
     C             3.49856             6.73803             1.89390
     C             2.32773             6.00218             1.29408
     C             1.27012             5.91714             2.34912
     C             1.77769             6.67784             3.57064
     C             6.57820             5.06242             2.58881
     C             6.02566             4.37388             1.40313
     C             5.10990             5.24368             0.66331
     C             4.90298             6.36425             1.57526
     C             5.80160             6.29812             2.82730
     C             4.58274             1.93546             6.58108
     C             3.20729             2.38948             6.92695
     C             3.15657             3.87687             7.09879
     C             4.52280             4.30656             6.83191
     C             5.41045             3.14038             6.66934
     C             4.03107            -0.23258             3.66664
     C             3.56054             0.22452             4.97419
     C             4.71216             0.87284             5.64493
     C             5.79703             0.99364             4.62019
     C             5.39977             0.21689             3.40374
     C             0.40072             2.05970             4.48892
     C             0.86955             2.59375             5.75775
     C             2.02682             1.75656             6.18469
     C             2.18016             0.68475             5.24160
     C             1.23874             0.89260             4.16163
     C             1.34346             6.02287             4.80574
     C             2.29817             5.93054             5.91179
     C             2.07403             4.64656             6.60335
     C             0.91870             3.99535             5.99345
     C             0.41691             4.82831             4.87868
     C             5.38598             6.60362             4.15675
     C             5.80264             5.70442             5.24804
     C             4.65321             5.53738             6.11522
     C             3.55866             6.49835             5.68624
     C             4.02068             7.10081             4.40183
     C             7.15975             2.60490             3.32105
     C             6.54300             2.18055             4.63972
     C             6.37149             3.29474             5.62891
     C             6.72147             4.58586             5.09227
     C             7.17354             4.29700             3.65238
     C             8.62527             3.68054             4.33919
     C             8.56419             3.09546             2.97694
     C             9.75138             3.36478             5.07790
     H             9.69219             3.14220             6.05882
     C            10.89316             3.16006             4.32852
     H            11.86017             2.94214             4.99513
     C            10.94396             3.25580             2.98923
     H            11.95387             3.48533             2.50302
     C             9.75019             3.19170             2.29299
     H             9.66926             3.39599             1.15105
           70
 Energy:   -455.7689241306400    
     C             3.86983             3.09950            -0.06987
     C             2.36690             2.65291             0.18924
     C             1.49901             3.82575             0.54018
     C             2.46449             5.08395             0.36385
     C             3.87649             4.55112             0.05361
     C             5.80975             0.90957             2.12369
     C             4.76046             1.02956             1.01592
     C             5.06578             2.33520             0.37604
     C             6.07876             3.04248             1.21304
     C             6.59371             2.08160             2.16846
     C             1.54605             0.48070             2.86162
     C             1.08035             1.33434             1.81158
     C             2.16394             1.37758             0.80953
     C             3.37494             0.69799             1.30851
     C             3.03332             0.07030             2.61443
     C            -0.17523             4.23577             3.71319
     C             0.23374             4.88981             2.41518
     C             0.43891             3.80447             1.43323
     C             0.19324             2.51179             2.09060
     C            -0.18131             2.84386             3.47705
     C             3.09542             7.14185             3.31416
     C             3.54854             6.71866             1.96016
     C             2.31020             6.11874             1.33716
     C             1.24034             5.97102             2.34773
     C             1.62538             6.67110             3.57665
     C             6.56988             5.09972             2.64441
     C             6.10984             4.40278             1.52139
     C             5.08326             5.15982             0.77121
     C             4.92425             6.43150             1.61264
     C             5.85403             6.30685             2.73017
     C             4.52222             1.89947             6.49910
     C             3.13092             2.33062             6.68874
     C             3.19864             3.74577             6.96964
     C             4.54960             4.26445             6.82285
     C             5.38278             3.09545             6.51407
     C             3.98424            -0.08975             3.60998
     C             3.53913             0.28584             5.00849
     C             4.74593             0.90129             5.53139
     C             5.79175             1.03251             4.59641
     C             5.44228             0.30155             3.39629
     C             0.31296             2.00513             4.51834
     C             0.84596             2.58924             5.78092
     C             1.98820             1.79580             6.18016
     C             2.16247             0.69180             5.18150
     C             1.09831             0.85939             4.14483
     C             1.21860             6.05520             4.84121
     C             2.25337             5.84882             5.84332
     C             2.09662             4.57014             6.53227
     C             0.77515             3.99178             6.11987
     C             0.29328             4.85017             4.95233
     C             5.45747             6.56042             4.12438
     C             5.89675             5.68764             5.25661
     C             4.72795             5.50986             6.12939
     C             3.60122             6.36212             5.63323
     C             4.08962             7.04891             4.40077
     C             7.29970             2.68450             3.35982
     C             6.62491             2.20074             4.67852
     C             6.44610             3.23068             5.59262
     C             6.73275             4.56826             5.07044
     C             7.33687             4.24192             3.69775
     C             8.81573             3.80914             4.28923
     C             8.87193             2.99669             3.00787
     C             9.86390             3.25640             5.07658
     H             9.90006             3.21423             6.09901
     C            11.06865             3.13520             4.41892
     H            12.01065             2.57827             4.91430
     C            11.15547             3.35129             3.02835
     H            12.15387             3.69411             2.56531
     C            10.01643             3.08670             2.29717
     H            10.07061             3.06325             1.15216
           70
 Energy:   -455.6836249340887    
     C             3.79236             3.16178             0.07736
     C             2.39806             2.73968             0.21652
     C             1.48969             3.96681             0.41721
     C             2.45384             5.10870             0.43623
     C             3.84546             4.63061             0.22248
     C             5.92314             0.81166             2.07119
     C             4.79152             1.01149             1.07915
     C             5.02843             2.41458             0.43076
     C             6.24812             2.99676             1.11504
     C             6.75905             2.13409             2.09601
     C             1.53797             0.42193             2.90194
     C             1.07415             1.33559             1.76301
     C             2.18618             1.47105             0.81755
     C             3.33388             0.65599             1.28589
     C             2.88994             0.09073             2.55394
     C            -0.16065             4.30599             3.79311
     C             0.28327             4.91625             2.52562
     C             0.38624             3.85274             1.46029
     C             0.19657             2.49993             2.03960
     C            -0.10605             2.80164             3.51296
     C             3.07713             7.02159             3.38882
     C             3.46140             6.77408             2.01726
     C             2.32241             6.17153             1.39937
     C             1.13731             6.05723             2.33072
     C             1.59146             6.60901             3.59986
     C             6.68897             5.05243             2.62685
     C             6.12305             4.37404             1.44609
     C             4.95712             5.16981             0.89902
     C             4.81517             6.39888             1.68635
     C             5.90450             6.29842             2.79551
     C             4.46797             1.93490             6.42946
     C             3.13798             2.33311             6.60182
     C             3.13899             3.73836             6.81643
     C             4.54840             4.22457             6.77673
     C             5.33681             3.06079             6.41687
     C             3.94137             0.03753             3.55709
     C             3.54805             0.28105             4.88566
     C             4.70762             0.92448             5.54050
     C             5.86834             1.07799             4.59886
     C             5.35876             0.43942             3.34983
     C             0.22109             1.93973             4.59271
     C             0.74155             2.54221             5.80941
     C             1.93744             1.74533             6.10920
     C             2.18170             0.72380             5.19842
     C             1.12070             0.72918             4.25516
     C             1.10921             6.04342             4.85415
     C             2.31056             5.80509             5.77690
     C             2.02169             4.53527             6.50431
     C             0.72769             3.98151             6.04771
     C             0.19312             4.91748             5.01934
     C             5.51185             6.59854             4.09895
     C             5.92849             5.65407             5.20620
     C             4.80957             5.51887             6.18278
     C             3.67547             6.16870             5.59834
     C             4.06287             6.91323             4.39454
     C             7.46136             2.64280             3.34615
     C             6.77155             2.15013             4.63676
     C             6.47215             3.21456             5.60912
     C             6.70993             4.47148             5.06539
     C             7.54803             4.39737             3.71553
     C             8.98910             3.77093             4.23626
     C             9.06409             2.92019             2.95312
     C            10.00357             3.36088             5.14026
     H             9.68275             3.16154             6.21201
     C            11.29604             3.05324             4.47984
     H            12.21437             2.67610             5.07493
     C            11.38525             3.41952             3.08242
     H            12.32806             3.69379             2.53010
     C            10.29682             2.99811             2.26700
     H            10.45158             2.58029             1.27030
           70
 Energy:   -454.3291348505796    
     C             3.81127             3.24796             0.22144
     C             2.41613             2.84521             0.22653
     C             1.53943             4.03469             0.38549
     C             2.47712             5.14232             0.52110
     C             3.79107             4.64560             0.41029
     C             5.90169             0.90590             2.07339
     C             4.76821             1.10321             1.07892
     C             4.91690             2.41564             0.55503
     C             6.23878             2.99916             0.99061
     C             6.86166             2.00816             2.03345
     C             1.44462             0.47406             2.83455
     C             1.01832             1.36999             1.78209
     C             2.19624             1.57453             0.82994
     C             3.33617             0.66496             1.22926
     C             2.90280             0.07175             2.50981
     C            -0.13728             4.31026             3.71825
     C             0.32095             4.90956             2.44730
     C             0.47656             3.89061             1.41066
     C             0.24762             2.51684             2.13915
     C            -0.11675             2.76032             3.52716
     C             2.98790             6.94433             3.51067
     C             3.36379             6.82987             2.09408
     C             2.17450             6.16175             1.39418
     C             1.08990             6.11816             2.38040
     C             1.63914             6.61955             3.65318
     C             6.82869             5.05843             2.49828
     C             6.12511             4.41533             1.33323
     C             4.92820             5.17969             1.02100
     C             4.75863             6.30800             1.88967
     C             5.89833             6.24998             2.80540
     C             4.44572             1.93333             6.38400
     C             3.07845             2.41399             6.65826
     C             3.09564             3.83899             6.75939
     C             4.49753             4.22708             6.69818
     C             5.33932             3.07946             6.43493
     C             3.91628             0.10733             3.43659
     C             3.54818             0.34210             4.83542
     C             4.71529             0.85635             5.50770
     C             5.85010             1.02843             4.56890
     C             5.31375             0.53154             3.31682
     C             0.19284             1.78173             4.57666
     C             0.64790             2.49540             5.85152
     C             1.97727             1.75724             6.15754
     C             2.22963             0.62853             5.21634
     C             1.09987             0.65002             4.25129
     C             1.21937             6.06809             4.89827
     C             2.27161             5.73192             5.75942
     C             1.94606             4.56413             6.44962
     C             0.74425             3.94935             5.94572
     C             0.14958             4.93362             5.03784
     C             5.49051             6.59530             4.21809
     C             5.94128             5.60313             5.21550
     C             4.86215             5.46015             6.17191
     C             3.66450             6.10042             5.59589
     C             4.05462             6.73039             4.40065
     C             7.69491             2.73648             3.28061
     C             6.90653             2.12119             4.63996
     C             6.48144             3.15081             5.52127
     C             6.78231             4.49463             4.96023
     C             7.63743             4.31307             3.74696
     C             9.15886             3.67990             4.17198
     C             9.25672             2.88915             2.84370
     C            10.21158             3.49073             5.08199
     H             9.95580             3.23804             6.23007
     C            11.40669             3.11766             4.55459
     H            12.21127             2.86761             5.17616
     C            11.59144             3.33734             3.16232
     H            12.55763             3.70075             2.83769
     C            10.51932             2.88674             2.33851
     H            10.75749             2.41347             1.45685
           70
 Energy:   -454.3774415497991    
     C             3.80109             3.27838             0.29477
     C             2.42797             2.84395             0.23793
     C             1.57378             3.98630             0.46459
     C             2.41626             5.17732             0.55092
     C             3.82382             4.68264             0.54611
     C             5.72747             1.04274             2.04471
     C             4.67086             1.16761             1.09677
     C             4.89814             2.50003             0.58908
     C             6.13846             3.01921             1.02661
     C             6.89795             2.04742             1.91962
     C             1.48112             0.46604             2.78703
     C             1.05592             1.46418             1.76781
     C             2.13187             1.60509             0.84096
     C             3.30408             0.76136             1.16616
     C             2.89103             0.09044             2.41359
     C            -0.14362             4.24333             3.63933
     C             0.28761             4.92589             2.35312
     C             0.58802             3.81796             1.42561
     C             0.32261             2.61989             2.13248
     C            -0.17265             2.81428             3.52627
     C             2.99981             6.97536             3.50237
     C             3.35062             6.75864             2.14951
     C             2.12499             6.31402             1.46053
     C             1.06630             6.11825             2.47051
     C             1.56062             6.64224             3.70342
     C             6.91674             5.10077             2.44243
     C             6.22714             4.46303             1.28994
     C             4.95342             5.20712             1.10510
     C             4.69283             6.25512             2.04780
     C             5.88507             6.21652             2.93630
     C             4.42930             1.92456             6.42113
     C             3.07723             2.42229             6.72901
     C             3.13505             3.83834             6.86010
     C             4.51028             4.20125             6.70929
     C             5.39447             3.07683             6.39858
     C             3.94284             0.13242             3.46145
     C             3.56560             0.34122             4.79946
     C             4.73911             0.88088             5.50120
     C             5.90345             1.01411             4.53737
     C             5.34708             0.52630             3.28763
     C             0.19182             1.77088             4.57506
     C             0.71443             2.38775             5.82887
     C             1.91334             1.71419             6.21091
     C             2.16864             0.59595             5.23039
     C             1.09140             0.62785             4.15791
     C             1.19078             6.04897             4.89827
     C             2.27949             5.79170             5.83117
     C             1.98907             4.50933             6.43538
     C             0.69845             3.90395             5.93559
     C             0.23880             4.91044             4.83479
     C             5.50715             6.42897             4.21174
     C             6.00186             5.57916             5.27671
     C             4.76330             5.41204             6.10915
     C             3.62416             6.10208             5.68098
     C             4.02128             6.68633             4.43482
     C             7.75855             2.56638             3.15079
     C             6.90572             2.05107             4.52106
     C             6.47570             3.23709             5.44996
     C             6.83310             4.46681             4.94384
     C             7.68922             4.24572             3.64597
     C             9.24670             3.71840             4.10305
     C             9.41602             2.85892             2.87678
     C            10.28098             3.56330             5.02452
     H            10.23484             3.96041             6.16044
     C            11.59281             3.27695             4.60097
     H            12.32271             3.05928             5.24786
     C            11.77490             3.15737             3.25089
     H            12.68623             3.44750             2.83711
     C            10.79883             2.76163             2.36243
     H            11.03542             2.42437             1.41554
           70
 Energy:   -454.1795731607107    
     C             3.75308             3.32244             0.26101
     C             2.42654             2.84609             0.22690
     C             1.60183             3.96401             0.53279
     C             2.37640             5.24536             0.60665
     C             3.76553             4.72995             0.53215
     C             5.70635             1.09783             2.03771
     C             4.55787             1.29786             1.05475
     C             4.89156             2.58283             0.53440
     C             6.15058             3.14790             1.12981
     C             6.80021             2.14166             1.85857
     C             1.55998             0.46527             2.74433
     C             1.12925             1.46922             1.80578
     C             2.11909             1.59058             0.74566
     C             3.21495             0.81367             1.18486
     C             2.93750             0.13233             2.41624
     C            -0.19162             4.32477             3.56454
     C             0.22010             4.90311             2.36218
     C             0.58018             3.86003             1.49611
     C             0.33668             2.56101             2.12509
     C            -0.18078             2.78365             3.46291
     C             2.97864             7.04912             3.55919
     C             3.39750             6.69020             2.20771
     C             2.18291             6.32355             1.45622
     C             1.02288             6.12689             2.41756
     C             1.54357             6.71392             3.71691
     C             6.93437             5.13314             2.52672
     C             6.27189             4.51581             1.33538
     C             4.98797             5.22379             1.09578
     C             4.77828             6.24580             2.06565
     C             5.90926             6.11099             2.93791
     C             4.51174             1.91733             6.46259
     C             3.08146             2.24545             6.78018
     C             3.14884             3.69788             7.00861
     C             4.56906             4.15725             6.79786
     C             5.37384             3.04061             6.34156
     C             3.92056             0.07480             3.40915
     C             3.52639             0.32231             4.86496
     C             4.72168             0.94161             5.49599
     C             5.92323             0.99820             4.52526
     C             5.33867             0.47001             3.25841
     C             0.20156             1.90148             4.47892
     C             0.72925             2.43478             5.75510
     C             1.92877             1.59792             6.22634
     C             2.15599             0.60122             5.19151
     C             1.11418             0.69062             4.14010
     C             1.11336             6.01234             4.91188
     C             2.17287             5.81656             5.93803
     C             2.00964             4.47019             6.50072
     C             0.73929             3.84571             5.89513
     C             0.39380             4.75127             4.78804
     C             5.42014             6.34156             4.29164
     C             5.98416             5.52144             5.34539
     C             4.77996             5.37498             6.16225
     C             3.59812             6.20426             5.69730
     C             4.04485             6.78789             4.47422
     C             7.82049             2.50613             3.09518
     C             6.81787             2.14209             4.41672
     C             6.49081             3.11713             5.36950
     C             6.90346             4.45811             4.88969
     C             7.70343             4.14609             3.48629
     C             9.23842             3.74464             4.00631
     C             9.50447             2.71655             2.90260
     C            10.31490             3.77098             5.00453
     H            10.00653             4.37678             5.87419
     C            11.70373             3.40765             4.64729
     H            12.48083             3.52251             5.35713
     C            12.03935             2.98314             3.25822
     H            13.03923             2.92675             2.90722
     C            10.88405             2.64302             2.42626
     H            11.08464             2.44498             1.38964
           70
 Energy:   -455.1811088088554    
     C             3.75768             3.43126             0.09534
     C             2.36480             2.91136             0.17718
     C             1.54653             4.07430             0.56926
     C             2.43763             5.17323             0.57296
     C             3.78655             4.79148             0.41181
     C             5.73038             1.08111             2.00650
     C             4.62752             1.37289             1.06323
     C             4.89910             2.71164             0.48709
     C             6.15564             3.20342             1.08469
     C             6.68350             2.14131             1.99017
     C             1.57142             0.52173             2.83116
     C             1.11174             1.40739             1.75296
     C             2.11370             1.54939             0.68981
     C             3.32478             0.79292             1.18281
     C             2.93161             0.14496             2.45499
     C            -0.25121             4.24187             3.66950
     C             0.20470             5.01402             2.38079
     C             0.50176             3.83774             1.46138
     C             0.29783             2.53901             2.07249
     C            -0.22491             2.83822             3.38539
     C             3.00851             7.08131             3.57999
     C             3.44153             6.72668             2.25629
     C             2.21835             6.23104             1.52196
     C             1.03996             6.21881             2.36102
     C             1.50453             6.71721             3.71024
     C             6.85605             5.08844             2.57708
     C             6.19979             4.60485             1.39381
     C             4.96776             5.26296             0.97574
     C             4.84173             6.27771             1.97727
     C             5.88024             6.09191             3.04831
     C             4.54866             1.80617             6.44642
     C             3.15745             2.10197             6.86724
     C             3.10775             3.59290             7.09289
     C             4.51176             4.10024             6.88484
     C             5.39696             3.04030             6.32321
     C             3.92403            -0.01176             3.48858
     C             3.55134             0.28736             4.81297
     C             4.74241             0.86791             5.41333
     C             5.81828             0.99297             4.43958
     C             5.32000             0.41712             3.21419
     C             0.31731             1.91837             4.41242
     C             0.76225             2.43731             5.70794
     C             1.89981             1.57497             6.18176
     C             2.16616             0.58583             5.13044
     C             1.15743             0.80217             4.10443
     C             1.17166             5.98258             4.91767
     C             2.17687             5.79648             6.02078
     C             1.97450             4.42539             6.63722
     C             0.96533             3.83413             5.86343
     C             0.42335             4.68759             4.84464
     C             5.43055             6.37760             4.28924
     C             5.94320             5.42150             5.30580
     C             4.75541             5.40532             6.32394
     C             3.57366             6.21841             5.83115
     C             4.02495             6.91063             4.58793
     C             7.85501             2.54779             3.08187
     C             6.76414             2.08083             4.29758
     C             6.48105             3.13928             5.32265
     C             6.85975             4.39608             4.89421
     C             7.68978             4.18241             3.52045
     C             9.28038             3.68686             3.90781
     C             9.49970             2.53764             2.92345
     C            10.33660             4.04804             4.81309
     H            10.28689             4.41970             5.76657
     C            11.69024             3.54139             4.58840
     H            12.48529             4.00222             5.27427
     C            12.08506             2.82938             3.37149
     H            13.10567             2.43819             3.25526
     C            10.90615             2.52937             2.55602
     H            11.09744             2.27304             1.48176
           70
 Energy:   -455.7476982709994    
     C             3.76531             3.39639            -0.11042
     C             2.35037             2.90210             0.12307
     C             1.53192             4.06943             0.48574
     C             2.46488             5.25824             0.60389
     C             3.83895             4.87187             0.17863
     C             5.70240             1.03925             2.00033
     C             4.71510             1.40211             1.03259
     C             4.91256             2.69347             0.45427
     C             6.16613             3.16680             1.08020
     C             6.64299             2.20857             2.09830
     C             1.58957             0.59776             2.72241
     C             1.00670             1.39781             1.65267
     C             2.19611             1.58664             0.68955
     C             3.40734             0.80890             1.17208
     C             2.95163             0.13723             2.46651
     C            -0.19853             4.26422             3.70258
     C             0.14225             5.03196             2.44567
     C             0.40489             3.94280             1.39974
     C             0.19984             2.58811             1.98459
     C            -0.21422             2.74527             3.42750
     C             3.01835             7.08938             3.62956
     C             3.45419             6.76701             2.22123
     C             2.31563             6.18122             1.57160
     C             1.07109             6.23493             2.44293
     C             1.58211             6.70005             3.74015
     C             6.70894             5.05032             2.61758
     C             6.15085             4.52681             1.32003
     C             5.01629             5.42081             0.91271
     C             4.75734             6.39530             1.96618
     C             5.79027             6.17085             2.96001
     C             4.57324             1.72523             6.39647
     C             3.11748             2.08601             6.88753
     C             3.11020             3.53658             7.15326
     C             4.43997             4.07363             6.90593
     C             5.36231             2.96367             6.36259
     C             3.93820            -0.12254             3.40393
     C             3.55647             0.21941             4.79601
     C             4.76815             0.77536             5.38343
     C             5.76528             1.00464             4.31548
     C             5.27394             0.35066             3.13534
     C             0.37251             1.96493             4.41014
     C             0.90376             2.39950             5.69801
     C             1.99709             1.57174             6.18615
     C             2.20531             0.60055             5.13103
     C             1.23082             0.83461             4.07942
     C             1.26350             5.92201             4.93056
     C             2.28369             5.74822             6.09205
     C             2.05830             4.43015             6.74279
     C             1.01945             3.76144             5.85004
     C             0.42164             4.75062             4.92937
     C             5.41664             6.45377             4.39040
     C             5.79830             5.42741             5.33102
     C             4.73210             5.38587             6.41361
     C             3.61370             6.22702             5.99078
     C             4.00073             6.91868             4.76496
     C             7.75310             2.62030             3.14502
     C             6.72966             2.00716             4.28521
     C             6.39482             3.05264             5.31712
     C             6.75508             4.40422             4.88942
     C             7.70329             4.26089             3.69104
     C             9.25578             3.72774             3.83357
     C             9.51199             2.48628             3.00968
     C            10.37240             4.19678             4.54461
     H            10.01611             4.83205             5.31157
     C            11.64376             3.73551             4.41172
     H            12.54655             4.04264             5.12468
     C            11.84770             2.69498             3.58969
     H            12.85435             2.22824             3.45956
     C            10.92034             2.29939             2.65993
     H            11.28969             1.90671             1.63340
           70
 Energy:   -457.0035699912090    
     C             3.85358             3.38632            -0.19855
     C             2.44335             2.91257             0.04603
     C             1.55311             4.08278             0.43634
     C             2.47783             5.25169             0.51957
     C             3.86709             4.90189            -0.00915
     C             5.73848             1.10082             1.95630
     C             4.65039             1.28760             0.95106
     C             4.94051             2.58520             0.36510
     C             6.08668             3.14996             1.09811
     C             6.63337             2.22678             2.08952
     C             1.57352             0.60264             2.63569
     C             1.02400             1.49999             1.52401
     C             2.22924             1.66761             0.70744
     C             3.33078             0.88828             1.17812
     C             2.93529             0.17398             2.28379
     C            -0.10967             4.29763             3.71247
     C             0.16924             5.01258             2.46114
     C             0.37420             4.06662             1.33618
     C             0.07588             2.60924             1.95461
     C            -0.14378             2.83115             3.42030
     C             3.07944             7.08815             3.71591
     C             3.39105             6.86259             2.34277
     C             2.25779             6.24636             1.63797
     C             1.13214             6.10285             2.56563
     C             1.70563             6.64179             3.88653
     C             6.57230             5.05674             2.63763
     C             6.15189             4.59232             1.33040
     C             5.00313             5.46544             0.78484
     C             4.74681             6.47376             1.92211
     C             5.70377             6.28493             3.04054
     C             4.46403             1.70915             6.42762
     C             3.17390             2.11391             6.85536
     C             3.16275             3.55032             7.20427
     C             4.52525             3.98564             6.89310
     C             5.28329             2.88757             6.38774
     C             3.89199            -0.20748             3.33157
     C             3.58375             0.05784             4.75236
     C             4.75603             0.75093             5.36434
     C             5.76950             0.89760             4.31249
     C             5.28481             0.32080             3.08830
     C             0.44490             1.89110             4.47557
     C             1.01899             2.41906             5.71545
     C             2.07315             1.52628             6.16580
     C             2.31763             0.57242             5.11237
     C             1.29983             0.80407             4.01322
     C             1.40281             5.91908             5.04803
     C             2.32171             5.70612             6.12733
     C             2.07556             4.36598             6.69384
     C             0.95221             3.82902             5.98699
     C             0.45775             4.74454             4.96789
     C             5.31937             6.50535             4.37062
     C             5.75071             5.44632             5.41453
     C             4.73680             5.28823             6.40099
     C             3.66293             6.26321             6.10489
     C             3.99117             6.91615             4.77549
     C             7.71020             2.65050             3.23187
     C             6.67373             2.06202             4.40485
     C             6.27288             3.01596             5.36221
     C             6.57017             4.38885             4.98638
     C             7.60515             4.26920             3.69213
     C             9.25273             3.86157             3.76652
     C             9.37310             2.49898             3.04493
     C            10.29903             4.44367             4.35362
     H            10.33470             5.50439             4.73388
     C            11.56440             3.87678             4.29337
     H            12.45457             4.39093             4.92938
     C            11.69678             2.54981             3.71058
     H            12.72790             2.04548             3.85313
     C            10.66336             2.03121             2.81308
     H            11.01886             1.30090             1.98112
           70
 Energy:   -456.4337875778405    
     C             3.90812             3.43182            -0.21433
     C             2.52272             3.01014            -0.00997
     C             1.62557             4.12422             0.41830
     C             2.48910             5.31856             0.46920
     C             3.88457             4.88917             0.00268
     C             5.67066             1.03177             1.92676
     C             4.68854             1.23441             0.87294
     C             4.95898             2.56019             0.25196
     C             6.02120             3.25840             1.10205
     C             6.62260             2.23839             1.99055
     C             1.52273             0.58379             2.58019
     C             1.03790             1.63490             1.56400
     C             2.18763             1.81748             0.62642
     C             3.28087             0.96107             1.06408
     C             2.86651             0.12986             2.25228
     C            -0.00650             4.29079             3.73288
     C             0.30427             5.00881             2.47974
     C             0.39834             3.98754             1.32133
     C             0.10587             2.67708             1.89347
     C            -0.02983             2.87380             3.48059
     C             3.04357             7.09640             3.78447
     C             3.41130             6.91659             2.33024
     C             2.21760             6.24519             1.59814
     C             1.25067             6.02988             2.73551
     C             1.74538             6.53156             3.98049
     C             6.51113             5.17411             2.70114
     C             6.05288             4.64848             1.35765
     C             4.97944             5.49204             0.75446
     C             4.69855             6.51600             1.87147
     C             5.69211             6.23613             3.03564
     C             4.46208             1.64299             6.37121
     C             3.13901             2.09368             6.87187
     C             3.19033             3.54866             7.17079
     C             4.58148             3.96478             6.93995
     C             5.26182             2.79455             6.41739
     C             3.89438            -0.20050             3.20107
     C             3.64063            -0.06244             4.69265
     C             4.68146             0.68923             5.35408
     C             5.84457             0.85392             4.43516
     C             5.34319             0.33571             3.09680
     C             0.49114             1.93467             4.40494
     C             0.99044             2.42366             5.73908
     C             2.10783             1.54308             6.11897
     C             2.33252             0.47460             5.01367
     C             1.35476             0.75891             4.00014
     C             1.40319             5.89409             5.17618
     C             2.37689             5.66501             6.23378
     C             2.12713             4.35952             6.70924
     C             0.87652             3.78901             6.11218
     C             0.53283             4.76657             4.99131
     C             5.30693             6.42609             4.44748
     C             5.79299             5.50141             5.35558
     C             4.74537             5.28213             6.38190
     C             3.64954             6.22760             6.08325
     C             4.00786             6.93557             4.84533
     C             7.51097             2.63373             3.30559
     C             6.61018             2.03916             4.49187
     C             6.17879             3.08676             5.43183
     C             6.52870             4.34367             5.00730
     C             7.37402             4.30561             3.64505
     C             9.01318             3.98084             3.65592
     C             9.20269             2.54647             3.14322
     C            10.29758             4.76145             4.14351
     H            10.20320             5.97033             4.29923
     C            11.44838             3.85945             4.18810
     H            12.45707             4.35059             4.32671
     C            11.53266             2.50661             3.75421
     H            12.32608             1.75480             4.06631
     C            10.41526             1.83725             3.08525
     H            10.39475             0.76769             2.73318
           70
 Energy:   -458.2580795123804    
     C             3.87850             3.50510            -0.21484
     C             2.45630             3.10902            -0.01616
     C             1.64795             4.21101             0.40462
     C             2.49914             5.40905             0.49905
     C             3.89031             4.96307             0.15779
     C             5.71651             1.03552             1.89545
     C             4.68078             1.31410             0.77070
     C             4.98897             2.66172             0.22409
     C             6.00461             3.25869             1.06040
     C             6.55265             2.23744             1.94076
     C             1.48825             0.60826             2.55874
     C             1.09847             1.63993             1.62463
     C             2.14738             1.84604             0.59704
     C             3.29296             0.90558             0.96055
     C             2.87459             0.14970             2.14024
     C             0.10135             4.27600             3.78796
     C             0.45383             4.93440             2.54772
     C             0.55600             4.02600             1.34669
     C             0.25612             2.70537             2.02193
     C             0.02706             2.85859             3.37801
     C             3.05831             7.11619             3.78937
     C             3.36894             6.93062             2.24784
     C             2.30529             6.26906             1.62829
     C             1.33972             5.99907             2.66448
     C             1.77145             6.47834             4.00629
     C             6.51734             5.17435             2.58666
     C             5.97317             4.65852             1.41624
     C             4.95080             5.56084             0.87671
     C             4.71421             6.52014             1.93484
     C             5.57061             6.26135             3.00855
     C             4.44122             1.57892             6.37497
     C             3.13149             2.01408             6.83798
     C             3.20009             3.44907             7.13737
     C             4.53105             3.99404             6.98578
     C             5.32709             2.83044             6.47968
     C             3.98785            -0.15133             3.18817
     C             3.55961            -0.04483             4.59962
     C             4.71632             0.55618             5.36074
     C             5.80716             0.81981             4.47288
     C             5.35497             0.33615             3.13487
     C             0.58101             1.97298             4.35899
     C             0.88880             2.32205             5.69334
     C             2.03968             1.48627             6.02458
     C             2.26617             0.43945             5.01206
     C             1.24008             0.79991             3.94479
     C             1.34723             5.89601             5.23582
     C             2.32419             5.68169             6.28537
     C             2.10636             4.31884             6.87555
     C             0.91983             3.74030             6.10840
     C             0.51440             4.69376             5.11760
     C             5.35487             6.44061             4.35742
     C             5.81719             5.41910             5.39700
     C             4.81908             5.30298             6.40887
     C             3.67484             6.12387             6.05794
     C             4.02355             6.93993             4.86631
     C             7.27398             2.68308             3.27141
     C             6.58756             2.01233             4.57499
     C             6.23996             3.03700             5.43322
     C             6.60855             4.37503             4.94692
     C             7.13427             4.30921             3.61271
     C             8.79901             4.16932             3.58369
     C             8.97178             2.59897             3.32473
     C            10.13436             4.74267             3.79809
     H            10.20540             5.92487             3.99561
     C            11.31392             3.89181             3.99962
     H            12.23474             4.31606             4.12119
     C            11.24241             2.44277             3.78536
     H            12.19727             2.00229             4.10225
     C            10.10349             1.79410             3.44993
     H            10.04688             0.76249             3.59959
           70
 Energy:   -457.6385646397410    
     C             3.80794             3.62987            -0.14987
     C             2.38688             3.09346            -0.00025
     C             1.60223             4.34791             0.40590
     C             2.52593             5.44620             0.57093
     C             3.83821             5.05233             0.26377
     C             5.71312             1.10163             1.82146
     C             4.67367             1.37370             0.74773
     C             4.89751             2.77300             0.22666
     C             6.04921             3.25596             1.03039
     C             6.48822             2.28829             1.97624
     C             1.61880             0.59137             2.53309
     C             1.15882             1.59869             1.57410
     C             2.19628             1.78483             0.59842
     C             3.29782             0.89826             0.84460
     C             2.99441             0.15751             2.14169
     C             0.15981             4.22090             3.82327
     C             0.56659             4.90115             2.59147
     C             0.71335             4.05927             1.48671
     C             0.47423             2.74953             2.00227
     C             0.05452             2.89261             3.44587
     C             3.11346             7.12387             3.73638
     C             3.43209             7.02519             2.36155
     C             2.34685             6.31465             1.64397
     C             1.36203             6.03676             2.60636
     C             1.76039             6.48137             3.93181
     C             6.43083             5.20329             2.56745
     C             5.96223             4.60039             1.32218
     C             4.91327             5.54290             0.99802
     C             4.66499             6.58535             1.97359
     C             5.66413             6.26043             3.00970
     C             4.51342             1.55941             6.43006
     C             3.10869             1.94163             6.68955
     C             3.13008             3.37492             7.17868
     C             4.53054             3.93008             6.96887
     C             5.34189             2.82815             6.51940
     C             3.90897            -0.07344             3.17118
     C             3.49601             0.05996             4.59300
     C             4.67470             0.48810             5.43591
     C             5.77735             0.79044             4.38782
     C             5.36605             0.38509             3.03776
     C             0.47439             1.96007             4.30381
     C             0.90904             2.30462             5.68835
     C             1.97532             1.38304             6.07599
     C             2.13139             0.44656             4.92596
     C             1.21415             0.76108             3.89311
     C             1.29211             5.86747             5.21950
     C             2.30227             5.66872             6.34770
     C             1.98648             4.25688             6.95153
     C             0.99827             3.61971             6.11328
     C             0.45121             4.64708             5.16131
     C             5.37241             6.45087             4.43488
     C             5.84150             5.45103             5.37117
     C             4.81220             5.23992             6.47525
     C             3.67206             6.09707             6.04845
     C             4.05970             6.87110             4.77185
     C             7.11146             2.63942             3.20356
     C             6.59280             1.96601             4.47280
     C             6.37649             3.05923             5.53590
     C             6.56478             4.31689             5.01021
     C             7.14645             4.31825             3.49771
     C             8.70060             4.16368             3.48094
     C             8.61828             2.67686             3.50818
     C             9.93427             4.63420             3.49555
     H            10.10821             5.72432             3.48320
     C            11.04500             3.89495             3.70157
     H            11.82641             4.40260             4.05575
     C            11.02928             2.52897             3.89262
     H            11.85613             1.83441             3.85059
     C             9.68965             1.86338             3.85975
     H             9.61990             0.84581             4.04278
           70
 Energy:   -460.3518045953601    
     C             3.76093             3.65586            -0.07938
     C             2.39878             3.15316            -0.00060
     C             1.59089             4.30787             0.44389
     C             2.48249             5.49992             0.60183
     C             3.79278             5.03346             0.24335
     C             5.62024             1.13915             1.77826
     C             4.66306             1.40923             0.72941
     C             4.84302             2.77127             0.26166
     C             6.01852             3.30000             0.96265
     C             6.43950             2.29611             1.91202
     C             1.69976             0.58604             2.50216
     C             1.22504             1.56689             1.53498
     C             2.24055             1.79402             0.49792
     C             3.37553             0.87568             0.87041
     C             3.01267             0.18984             2.09650
     C             0.14471             4.27220             3.80819
     C             0.58412             4.98279             2.64256
     C             0.77762             4.05965             1.54878
     C             0.54367             2.71408             2.02392
     C             0.07462             2.84519             3.38593
     C             3.06984             7.09356             3.81344
     C             3.44686             7.07522             2.35865
     C             2.35732             6.45306             1.67636
     C             1.32667             6.11450             2.67580
     C             1.76924             6.53952             3.97651
     C             6.46593             5.13055             2.58833
     C             6.00921             4.70633             1.32846
     C             4.86573             5.53547             0.97543
     C             4.78553             6.61471             2.03016
     C             5.73561             6.32645             3.06462
     C             4.53615             1.54300             6.41702
     C             3.12788             1.95136             6.68580
     C             3.11570             3.36034             7.18848
     C             4.48371             3.85736             6.96939
     C             5.37318             2.72875             6.51761
     C             3.92524            -0.00297             3.19085
     C             3.48668             0.11726             4.60628
     C             4.69243             0.55663             5.37730
     C             5.76864             0.79269             4.35321
     C             5.26532             0.40501             2.96626
     C             0.38861             1.81764             4.38676
     C             0.92574             2.25093             5.66854
     C             1.94340             1.30636             6.06645
     C             2.15559             0.41846             4.93343
     C             1.20834             0.73006             3.83639
     C             1.32638             5.84986             5.19679
     C             2.28357             5.60991             6.33972
     C             2.01336             4.23228             6.91055
     C             0.91691             3.65378             6.08767
     C             0.48744             4.63825             5.12398
     C             5.42349             6.42775             4.42919
     C             5.83831             5.44599             5.44008
     C             4.77373             5.22192             6.42694
     C             3.62903             6.11039             6.04548
     C             4.02942             6.78659             4.80637
     C             7.06635             2.61813             3.24724
     C             6.49788             1.98506             4.50254
     C             6.43459             2.91732             5.53789
     C             6.59048             4.33793             4.96247
     C             7.17201             4.29018             3.52714
     C             8.72585             4.11370             3.47296
     C             8.65248             2.66619             3.49971
     C             9.95158             4.70689             3.49734
     H            10.03833             5.80628             3.42298
     C            11.08005             3.88483             3.74229
     H            12.03476             4.33254             3.88314
     C            10.95538             2.48155             3.86629
     H            11.89231             1.94013             3.99601
     C             9.73376             1.91293             3.84110
     H             9.63526             0.87210             4.02507
           70
 Energy:   -461.4823014252376    
     C             3.77913             3.60101            -0.08393
     C             2.42644             3.15596             0.00312
     C             1.63299             4.28834             0.50348
     C             2.41171             5.52402             0.57820
     C             3.80228             5.06324             0.23521
     C             5.58008             1.15094             1.80715
     C             4.66177             1.40623             0.70905
     C             4.84480             2.77818             0.25674
     C             5.97203             3.37760             0.95945
     C             6.46668             2.31491             1.90144
     C             1.64806             0.60947             2.46903
     C             1.24438             1.60390             1.50465
     C             2.25800             1.79513             0.43702
     C             3.35491             0.90868             0.86093
     C             3.00008             0.19186             2.11559
     C             0.08111             4.20933             3.76777
     C             0.51930             5.00687             2.61011
     C             0.73069             4.03879             1.56136
     C             0.51512             2.68032             2.05152
     C             0.06927             2.79339             3.44065
     C             3.10615             7.10895             3.86428
     C             3.49678             7.07880             2.40384
     C             2.27492             6.49809             1.67129
     C             1.30099             6.23541             2.73119
     C             1.73885             6.59291             4.08025
     C             6.55300             5.16454             2.62398
     C             6.01181             4.73223             1.33460
     C             4.91850             5.63283             0.96765
     C             4.78788             6.62439             2.00775
     C             5.81595             6.29470             3.06787
     C             4.46170             1.51918             6.35851
     C             3.11575             1.91320             6.77107
     C             3.15147             3.34203             7.12270
     C             4.53057             3.87393             6.93745
     C             5.38190             2.71161             6.52427
     C             3.87593            -0.00952             3.16536
     C             3.57923             0.09810             4.56955
     C             4.70220             0.62836             5.26795
     C             5.73837             0.81629             4.32161
     C             5.26941             0.45726             3.02449
     C             0.36148             1.78555             4.33588
     C             0.84586             2.24034             5.69729
     C             2.01960             1.37406             6.05432
     C             2.22182             0.37853             4.95600
     C             1.24610             0.66814             3.88144
     C             1.38051             5.82894             5.21586
     C             2.30682             5.58494             6.25937
     C             2.04522             4.22910             6.80199
     C             0.87050             3.65017             6.07021
     C             0.52865             4.68214             5.03893
     C             5.38793             6.40923             4.48539
     C             5.85741             5.36463             5.45842
     C             4.71396             5.15743             6.40400
     C             3.62951             6.04019             6.08045
     C             4.03237             6.77722             4.86708
     C             7.10341             2.58553             3.25509
     C             6.46869             1.96330             4.47366
     C             6.34409             2.97698             5.50799
     C             6.63687             4.25627             5.04000
     C             7.18900             4.23582             3.61243
     C             8.78748             4.11938             3.46624
     C             8.65177             2.64031             3.46035
     C            10.00609             4.73147             3.52738
     H            10.10734             5.80908             3.37819
     C            11.09077             3.89839             3.75802
     H            12.11393             4.29226             3.64247
     C            10.97618             2.53110             3.86301
     H            11.81847             1.88267             4.14610
     C             9.72747             1.89391             3.78978
     H             9.62235             0.82524             4.00637
           70
 Energy:   -461.9146870548915    
     C             3.81601             3.69179            -0.13264
     C             2.44484             3.13681             0.02310
     C             1.63288             4.26334             0.53841
     C             2.45826             5.53639             0.59974
     C             3.83612             5.11770             0.25068
     C             5.64134             1.20099             1.83599
     C             4.67274             1.40026             0.73196
     C             4.90213             2.78308             0.22847
     C             5.99007             3.33709             1.04973
     C             6.47432             2.35324             1.93104
     C             1.59858             0.59767             2.49671
     C             1.17684             1.64396             1.51004
     C             2.19273             1.79923             0.49004
     C             3.31484             0.91879             0.83115
     C             2.93916             0.21470             2.08146
     C             0.04809             4.23069             3.77017
     C             0.42861             5.00640             2.59507
     C             0.66331             4.02429             1.51566
     C             0.43768             2.71441             2.03618
     C             0.02981             2.79781             3.41375
     C             3.13700             7.13589             3.88745
     C             3.44301             7.02778             2.46185
     C             2.26922             6.51587             1.69774
     C             1.16932             6.23150             2.74843
     C             1.75753             6.67447             4.04846
     C             6.60755             5.17482             2.63162
     C             6.03968             4.74808             1.36905
     C             4.96722             5.66995             0.92331
     C             4.79342             6.64806             2.06222
     C             5.77239             6.30532             3.12625
     C             4.47505             1.54627             6.34955
     C             3.12546             1.91194             6.81634
     C             3.16605             3.36959             7.06297
     C             4.52788             3.79518             6.94456
     C             5.30928             2.70700             6.49707
     C             3.92575            -0.05186             3.13017
     C             3.54956             0.02331             4.55278
     C             4.65368             0.65474             5.26024
     C             5.73746             0.88079             4.31647
     C             5.25672             0.47074             2.98297
     C             0.43206             1.75173             4.37399
     C             0.81475             2.21509             5.70970
     C             2.01966             1.42155             6.02338
     C             2.27348             0.42309             4.96726
     C             1.27434             0.63273             3.90528
     C             1.37244             5.84479             5.17122
     C             2.34730             5.51977             6.23336
     C             2.07611             4.18092             6.70599
     C             0.88901             3.64157             6.01517
     C             0.50810             4.64026             5.02119
     C             5.42046             6.33807             4.50539
     C             5.81595             5.31275             5.44130
     C             4.77794             5.09249             6.40062
     C             3.67991             5.99471             6.06995
     C             4.07698             6.81089             4.93363
     C             7.14464             2.56278             3.20227
     C             6.51714             2.02077             4.45486
     C             6.24139             2.92089             5.47280
     C             6.66419             4.25904             5.09885
     C             7.27254             4.20804             3.62763
     C             8.85073             4.14846             3.50326
     C             8.65455             2.68427             3.39806
     C            10.04699             4.71834             3.55489
     H            10.21542             5.77906             3.46600
     C            11.15160             3.91939             3.70464
     H            12.16809             4.43976             3.71564
     C            10.97801             2.53573             3.91330
     H            11.91036             1.97446             4.11216
     C             9.74828             1.87758             3.72178
     H             9.69795             0.77140             3.92370
           70
 Energy:   -462.5456847944713    
     C             3.87107             3.70750            -0.15274
     C             2.48959             3.19501             0.05336
     C             1.65893             4.30902             0.53282
     C             2.50980             5.50483             0.70179
     C             3.86821             5.15857             0.24432
     C             5.65553             1.19425             1.79974
     C             4.66295             1.43838             0.74743
     C             4.93999             2.83887             0.22845
     C             6.02627             3.37537             1.08679
     C             6.46551             2.33969             1.96883
     C             1.57443             0.60386             2.50798
     C             1.08314             1.59134             1.58340
     C             2.16152             1.85172             0.55056
     C             3.30662             0.92993             0.86253
     C             2.95029             0.18756             2.07835
     C             0.00320             4.23661             3.76746
     C             0.34752             5.02449             2.57563
     C             0.58048             4.10130             1.48661
     C             0.32178             2.72355             1.98627
     C             0.00607             2.79036             3.42980
     C             3.11559             7.12984             3.90791
     C             3.44214             6.97438             2.46959
     C             2.25653             6.44818             1.75747
     C             1.15818             6.23127             2.67389
     C             1.69526             6.66313             4.02796
     C             6.58383             5.18932             2.68275
     C             6.09488             4.73595             1.38644
     C             5.01671             5.68922             0.97761
     C             4.77108             6.63101             2.11410
     C             5.75399             6.26883             3.14567
     C             4.45015             1.50334             6.39544
     C             3.11109             1.93390             6.75337
     C             3.13735             3.32565             7.09496
     C             4.51681             3.80742             6.95810
     C             5.29890             2.67554             6.42358
     C             3.91027            -0.10413             3.07456
     C             3.54491            -0.00990             4.54705
     C             4.65256             0.62657             5.28251
     C             5.68238             0.90819             4.28631
     C             5.29012             0.46726             2.96141
     C             0.41926             1.81064             4.34672
     C             0.89180             2.21874             5.69102
     C             2.01912             1.38699             6.06510
     C             2.24505             0.47420             4.94011
     C             1.26304             0.69168             3.90668
     C             1.36485             5.84594             5.14688
     C             2.36664             5.49487             6.16473
     C             2.07908             4.13466             6.64537
     C             0.94387             3.60400             5.96010
     C             0.47904             4.65201             5.05475
     C             5.42654             6.32337             4.52596
     C             5.86156             5.27437             5.42742
     C             4.81317             5.06766             6.42924
     C             3.71677             5.96698             6.09106
     C             4.12700             6.83401             4.91218
     C             7.19445             2.61621             3.22115
     C             6.52500             1.98135             4.42610
     C             6.29617             2.94763             5.44096
     C             6.67373             4.22221             5.02910
     C             7.32823             4.25530             3.61527
     C             8.91350             4.16721             3.56873
     C             8.74704             2.74139             3.35647
     C            10.13525             4.76384             3.56265
     H            10.20897             5.84061             3.62801
     C            11.22127             3.89382             3.68254
     H            12.29312             4.26506             3.83711
     C            11.00584             2.54411             3.91174
     H            11.82515             1.85901             4.19266
     C             9.78782             1.95207             3.65463
     H             9.67035             0.83281             3.66950
           70
 Energy:   -462.6689928763185    
     C             3.87643             3.72055            -0.12238
     C             2.48892             3.22640             0.10786
     C             1.66241             4.35978             0.57657
     C             2.55632             5.46432             0.75225
     C             3.92892             5.15413             0.27403
     C             5.62222             1.15446             1.78219
     C             4.63687             1.51667             0.72520
     C             4.95644             2.86419             0.28217
     C             6.05974             3.39484             1.05570
     C             6.50312             2.35028             1.95867
     C             1.60307             0.57609             2.52303
     C             1.07621             1.60857             1.53187
     C             2.18532             1.91277             0.61012
     C             3.30345             1.01290             0.91857
     C             2.91466             0.16142             2.09152
     C            -0.04159             4.26076             3.77155
     C             0.30636             5.08517             2.57703
     C             0.52861             4.10982             1.42811
     C             0.22968             2.72818             1.96987
     C            -0.05029             2.87250             3.40069
     C             3.05695             7.08760             3.90077
     C             3.43791             6.94973             2.49218
     C             2.32174             6.36873             1.77579
     C             1.18513             6.22393             2.69829
     C             1.63085             6.60772             4.01843
     C             6.58846             5.17749             2.70105
     C             6.12425             4.80214             1.42456
     C             5.01843             5.66079             1.02526
     C             4.77530             6.55466             2.12970
     C             5.75654             6.24120             3.16357
     C             4.45168             1.44657             6.35725
     C             3.10390             1.88503             6.73306
     C             3.14568             3.30380             7.14419
     C             4.53436             3.78094             6.94514
     C             5.33892             2.69177             6.41116
     C             3.91248            -0.13244             3.11643
     C             3.52796             0.01854             4.52989
     C             4.65857             0.54192             5.25435
     C             5.66549             0.89309             4.27372
     C             5.24199             0.41033             2.95905
     C             0.40407             1.86404             4.34733
     C             0.92256             2.24117             5.62917
     C             1.98923             1.30978             6.04476
     C             2.23145             0.42178             4.90439
     C             1.22987             0.78433             3.87027
     C             1.33322             5.80268             5.16548
     C             2.38922             5.48452             6.10951
     C             2.11859             4.16899             6.65013
     C             0.96563             3.63070             5.93068
     C             0.44078             4.66497             5.03228
     C             5.45576             6.35910             4.52130
     C             5.90727             5.29312             5.44905
     C             4.82430             5.11480             6.43740
     C             3.70719             6.00654             6.07551
     C             4.07436             6.77952             4.92027
     C             7.22029             2.62172             3.24207
     C             6.55379             1.96405             4.41272
     C             6.37303             2.90441             5.43095
     C             6.68423             4.23120             4.95709
     C             7.35166             4.30527             3.60116
     C             8.98938             4.28613             3.58031
     C             8.75273             2.83411             3.35945
     C            10.24848             4.77285             3.61056
     H            10.41582             5.84223             3.62979
     C            11.29333             3.88961             3.72535
     H            12.33761             4.31724             3.72126
     C            11.07760             2.51972             3.86491
     H            11.87696             1.92408             4.31199
     C             9.84060             1.98260             3.56662
     H             9.70239             0.87669             3.51948
           70
 Energy:   -462.7090344554407    
     C             3.84880             3.72095            -0.05415
     C             2.47438             3.23990             0.14962
     C             1.66504             4.32034             0.61472
     C             2.59943             5.48484             0.72560
     C             3.91130             5.08593             0.32253
     C             5.62134             1.20341             1.79610
     C             4.63482             1.53178             0.78177
     C             4.92541             2.90071             0.29895
     C             6.11104             3.40121             1.05020
     C             6.53876             2.31488             1.91435
     C             1.52761             0.63658             2.44519
     C             1.09628             1.67262             1.52071
     C             2.22092             1.95904             0.64965
     C             3.31212             1.08557             0.98541
     C             2.93722             0.18355             2.09140
     C            -0.08837             4.34784             3.72451
     C             0.28818             5.07996             2.53710
     C             0.49162             4.12211             1.43830
     C             0.23322             2.74051             1.93521
     C            -0.12608             2.88775             3.37740
     C             3.03334             7.02432             3.93070
     C             3.46407             6.92418             2.53969
     C             2.34540             6.35759             1.81135
     C             1.20088             6.16598             2.71734
     C             1.67079             6.58809             4.05454
     C             6.64197             5.20854             2.67482
     C             6.14446             4.75436             1.38408
     C             5.02014             5.61837             1.03685
     C             4.75798             6.52286             2.17702
     C             5.77555             6.25111             3.17455
     C             4.51435             1.48199             6.28194
     C             3.11557             1.80709             6.76615
     C             3.19393             3.29846             7.11016
     C             4.56584             3.78659             6.91309
     C             5.36334             2.62902             6.41350
     C             3.84706            -0.13898             3.11416
     C             3.49001            -0.00875             4.50615
     C             4.66623             0.52943             5.24234
     C             5.73520             0.82660             4.25157
     C             5.22101             0.39298             2.93165
     C             0.40564             1.93012             4.28066
     C             0.90941             2.28323             5.63171
     C             1.95762             1.31114             5.99270
     C             2.15071             0.37543             4.87018
     C             1.23375             0.76948             3.83199
     C             1.30199             5.80889             5.15844
     C             2.37137             5.50116             6.12823
     C             2.14314             4.17485             6.67893
     C             0.96620             3.64771             5.96492
     C             0.44051             4.64411             5.03813
     C             5.42856             6.40327             4.55965
     C             5.89730             5.36407             5.47554
     C             4.81694             5.12652             6.45089
     C             3.68635             6.00009             6.06977
     C             4.03683             6.75186             4.86327
     C             7.22213             2.61888             3.19807
     C             6.59078             1.93253             4.40159
     C             6.38618             2.89367             5.45286
     C             6.68813             4.24503             5.03768
     C             7.37629             4.27863             3.57858
     C             9.03788             4.40368             3.56442
     C             8.81701             2.89756             3.40171
     C            10.34472             4.81161             3.67448
     H            10.64196             5.85064             3.57127
     C            11.39259             3.88565             3.76933
     H            12.42621             4.23592             3.72967
     C            11.15454             2.51434             3.82184
     H            11.94676             1.83765             4.13239
     C             9.85450             2.03045             3.46620
     H             9.70813             0.95096             3.42538
           70
 Energy:   -462.1532357198103    
     C             3.82050             3.67011            -0.00512
     C             2.48064             3.23245             0.14832
     C             1.64838             4.35568             0.61717
     C             2.49202             5.50708             0.72790
     C             3.87420             5.08714             0.36679
     C             5.63924             1.22842             1.84367
     C             4.65482             1.55780             0.85784
     C             4.93438             2.85708             0.32269
     C             6.11934             3.32780             1.00661
     C             6.59264             2.29462             1.88930
     C             1.49769             0.64788             2.39627
     C             1.10340             1.75163             1.52616
     C             2.22648             1.96309             0.65656
     C             3.33439             1.10105             1.01357
     C             2.83504             0.27553             2.06815
     C            -0.13998             4.30958             3.73443
     C             0.28996             5.08143             2.51558
     C             0.53152             4.13492             1.43756
     C             0.24377             2.81253             1.92724
     C            -0.17346             2.89978             3.32831
     C             3.08546             7.00884             3.93569
     C             3.44644             6.88459             2.56375
     C             2.31991             6.39043             1.80797
     C             1.23347             6.13191             2.71613
     C             1.67993             6.56501             4.03613
     C             6.70314             5.23622             2.63787
     C             6.18193             4.74893             1.37832
     C             5.00115             5.58950             1.05885
     C             4.77984             6.50219             2.17939
     C             5.81836             6.26522             3.18599
     C             4.47918             1.46613             6.27341
     C             3.14892             1.81855             6.72540
     C             3.20510             3.26642             7.03258
     C             4.60425             3.75097             6.87790
     C             5.37902             2.65126             6.41204
     C             3.84723            -0.10361             3.05307
     C             3.46262            -0.05046             4.53814
     C             4.67396             0.55890             5.18404
     C             5.77229             0.72514             4.23057
     C             5.24743             0.41634             2.91032
     C             0.43855             1.93945             4.24061
     C             0.88660             2.26610             5.59967
     C             1.99350             1.36308             5.99770
     C             2.11563             0.38196             4.87173
     C             1.14274             0.75764             3.76657
     C             1.31885             5.82555             5.20667
     C             2.30714             5.52729             6.22381
     C             2.11262             4.14487             6.69088
     C             0.93712             3.63156             6.02875
     C             0.44629             4.65642             5.02793
     C             5.42415             6.40521             4.53558
     C             5.89562             5.37633             5.51093
     C             4.79301             5.10949             6.45028
     C             3.66438             5.95934             6.06413
     C             4.06355             6.73864             4.92524
     C             7.29516             2.63155             3.18289
     C             6.61121             1.92604             4.39682
     C             6.38024             2.89493             5.45271
     C             6.70744             4.26412             5.09524
     C             7.39161             4.28237             3.61529
     C             9.09923             4.41178             3.61798
     C             8.83614             2.96953             3.39237
     C            10.43884             4.86209             3.68808
     H            10.61403             5.95078             3.71535
     C            11.46179             3.88196             3.80361
     H            12.46454             4.17883             3.93311
     C            11.17661             2.50757             3.73942
     H            11.93260             1.75528             3.76431
     C             9.93810             2.08875             3.43480
     H             9.74535             1.06341             3.20951
           70
 Energy:   -462.4057822886442    
     C             3.85626             3.69554             0.02054
     C             2.42697             3.26664             0.12575
     C             1.61605             4.36036             0.52050
     C             2.46819             5.52681             0.70028
     C             3.81861             5.11435             0.39286
     C             5.68852             1.21544             1.86546
     C             4.63884             1.52243             0.90683
     C             4.94056             2.81625             0.33348
     C             6.16993             3.36656             0.97564
     C             6.67531             2.32755             1.91272
     C             1.43631             0.66812             2.41860
     C             1.07823             1.76345             1.51621
     C             2.20304             1.97039             0.59523
     C             3.28260             1.10696             0.97728
     C             2.86232             0.28279             2.11181
     C            -0.14072             4.29197             3.76405
     C             0.29801             5.08829             2.59125
     C             0.54845             4.17920             1.45588
     C             0.24667             2.83349             1.92201
     C            -0.14283             2.87732             3.33163
     C             3.09574             7.01298             3.94869
     C             3.49049             6.85783             2.49800
     C             2.27881             6.42858             1.77606
     C             1.21894             6.16782             2.74876
     C             1.71106             6.53070             4.07117
     C             6.75526             5.21540             2.67008
     C             6.18256             4.73174             1.37810
     C             4.98731             5.55439             1.08824
     C             4.80188             6.49588             2.16953
     C             5.85010             6.27028             3.14504
     C             4.50449             1.43314             6.26970
     C             3.13526             1.90419             6.61421
     C             3.18110             3.28652             6.97756
     C             4.52515             3.74647             6.87774
     C             5.36815             2.60920             6.38452
     C             3.83386            -0.04666             3.05389
     C             3.48486            -0.03173             4.45775
     C             4.64566             0.53634             5.17987
     C             5.78871             0.77311             4.25055
     C             5.24672             0.38041             2.93380
     C             0.38139             1.93114             4.23170
     C             0.88939             2.25590             5.56863
     C             1.98872             1.37130             5.94212
     C             2.13917             0.40536             4.85006
     C             1.09928             0.73120             3.80809
     C             1.30246             5.82846             5.23523
     C             2.30173             5.51318             6.33357
     C             2.06887             4.12458             6.73258
     C             0.85042             3.61272             5.97813
     C             0.42625             4.64250             5.04872
     C             5.48222             6.33482             4.56245
     C             5.91288             5.32400             5.51778
     C             4.78524             5.05842             6.43237
     C             3.64907             5.91181             6.11758
     C             4.06608             6.75760             4.97738
     C             7.36431             2.66768             3.22052
     C             6.62251             1.92217             4.38060
     C             6.39349             2.88639             5.41256
     C             6.73658             4.26317             5.03787
     C             7.48250             4.32715             3.68080
     C             9.14152             4.40213             3.69906
     C             8.88428             2.97781             3.35478
     C            10.44281             4.82830             3.71962
     H            10.72849             5.87970             3.88972
     C            11.48644             3.90973             3.83863
     H            12.42624             4.24006             4.14252
     C            11.26571             2.55576             3.61805
     H            12.14276             1.93190             3.57290
     C             9.92235             2.11334             3.38472
     H             9.79805             1.11631             3.06433
           70
 Energy:   -462.2669639493625    
     C             3.81504             3.72542             0.01891
     C             2.45968             3.26446             0.04292
     C             1.53857             4.42566             0.46465
     C             2.48007             5.55218             0.64591
     C             3.87702             5.10696             0.39862
     C             5.72376             1.18698             1.86049
     C             4.64964             1.50899             0.88873
     C             4.94880             2.87215             0.34361
     C             6.20742             3.35921             0.99489
     C             6.68708             2.36319             1.91304
     C             1.47406             0.66757             2.46170
     C             1.03802             1.69992             1.47296
     C             2.12073             1.95864             0.54981
     C             3.26479             1.07810             0.94778
     C             2.84768             0.29102             2.09952
     C            -0.07682             4.30338             3.78042
     C             0.33292             5.10428             2.64511
     C             0.51451             4.21153             1.48936
     C             0.25941             2.81478             1.93223
     C            -0.10390             2.89810             3.36894
     C             3.13168             6.99107             3.91840
     C             3.47017             6.90456             2.52158
     C             2.26332             6.43631             1.76352
     C             1.18836             6.23905             2.79541
     C             1.76037             6.52754             4.12898
     C             6.75027             5.19357             2.67962
     C             6.18362             4.73884             1.42260
     C             5.00493             5.53951             1.09852
     C             4.82978             6.49411             2.16658
     C             5.88028             6.24893             3.19874
     C             4.46245             1.44438             6.26189
     C             3.10516             1.89299             6.50278
     C             3.10615             3.29342             6.96476
     C             4.52770             3.70228             6.86182
     C             5.35490             2.62035             6.36469
     C             3.89040            -0.02746             3.06614
     C             3.48758             0.06660             4.44749
     C             4.66221             0.49392             5.21766
     C             5.73415             0.84381             4.28041
     C             5.30562             0.38958             2.96637
     C             0.30534             1.84173             4.29628
     C             0.85517             2.26968             5.54921
     C             1.97676             1.37556             5.85140
     C             2.17696             0.40500             4.77897
     C             1.11381             0.70253             3.83842
     C             1.29339             5.79160             5.28231
     C             2.26849             5.49095             6.32429
     C             1.94489             4.11199             6.75942
     C             0.87402             3.61527             5.97355
     C             0.38428             4.65976             5.07899
     C             5.47133             6.32042             4.57548
     C             5.90960             5.22661             5.48630
     C             4.81586             5.00668             6.42549
     C             3.69205             5.93018             6.16342
     C             4.10311             6.73196             4.95081
     C             7.35907             2.69032             3.24405
     C             6.66641             1.95712             4.36466
     C             6.38079             2.90008             5.39945
     C             6.74334             4.20172             5.03026
     C             7.50774             4.34495             3.67968
     C             9.15501             4.38054             3.71671
     C             8.94875             2.94273             3.35341
     C            10.42963             4.81338             3.84376
     H            10.58448             5.90423             3.87538
     C            11.49354             3.93533             3.85976
     H            12.44287             4.29699             4.18410
     C            11.29245             2.61189             3.48870
     H            12.11225             1.89359             3.45215
     C            10.05206             2.08875             3.28544
     H             9.85673             1.04891             3.13770
           70
 Energy:   -462.0053969382694    
     C             3.83725             3.68953            -0.00542
     C             2.35733             3.26505             0.00624
     C             1.53443             4.44410             0.44927
     C             2.49906             5.61109             0.64753
     C             3.87497             5.10425             0.37725
     C             5.74322             1.21847             1.81464
     C             4.66904             1.56245             0.81610
     C             4.94070             2.90867             0.37709
     C             6.14939             3.38038             1.04063
     C             6.63591             2.31484             1.92191
     C             1.52759             0.66577             2.42438
     C             0.97705             1.64988             1.47888
     C             2.13746             1.91580             0.49450
     C             3.28701             1.09175             0.90291
     C             2.89830             0.29298             2.07800
     C            -0.00225             4.29779             3.80964
     C             0.36305             5.12368             2.63914
     C             0.52098             4.19803             1.46418
     C             0.26642             2.81813             1.98813
     C            -0.07405             2.86748             3.41079
     C             3.16421             6.95469             3.96981
     C             3.48039             6.93300             2.51848
     C             2.29161             6.46799             1.81532
     C             1.20714             6.27497             2.80737
     C             1.76700             6.55614             4.14257
     C             6.73288             5.20195             2.71177
     C             6.21335             4.72302             1.45966
     C             5.05613             5.56687             1.11759
     C             4.80725             6.53638             2.22788
     C             5.85004             6.22834             3.22758
     C             4.42325             1.47726             6.24133
     C             3.05882             1.88058             6.49948
     C             3.07817             3.22714             6.96998
     C             4.49796             3.69323             6.86987
     C             5.31247             2.59781             6.34520
     C             3.92009            -0.00840             3.02557
     C             3.54271             0.09683             4.48206
     C             4.69902             0.55045             5.24806
     C             5.77252             0.87667             4.29556
     C             5.34789             0.46213             2.96277
     C             0.22326             1.78620             4.28921
     C             0.82134             2.22054             5.57906
     C             1.96168             1.39903             5.80943
     C             2.14492             0.45448             4.76624
     C             1.09971             0.68052             3.76452
     C             1.30998             5.83373             5.25821
     C             2.30494             5.48429             6.29801
     C             1.99116             4.14007             6.79205
     C             0.82253             3.59866             5.98950
     C             0.38091             4.68654             5.12437
     C             5.47089             6.28093             4.58603
     C             5.86012             5.22267             5.43119
     C             4.81908             5.00597             6.44325
     C             3.68010             5.94347             6.14322
     C             4.12461             6.66491             4.94667
     C             7.36481             2.62524             3.19191
     C             6.61921             1.94976             4.41215
     C             6.37018             2.85733             5.43002
     C             6.74667             4.18933             5.06125
     C             7.51815             4.25917             3.61002
     C             9.14866             4.31733             3.72282
     C             8.94843             2.89040             3.36659
     C            10.39910             4.85748             3.97259
     H            10.58286             5.94177             4.10079
     C            11.50058             3.95564             3.86353
     H            12.54558             4.29140             4.05617
     C            11.36343             2.65305             3.39127
     H            12.30288             2.04994             3.31525
     C            10.07668             2.10050             3.17481
     H            10.06600             1.00362             3.11596
           70
 Energy:   -462.3287703797691    
     C             3.76092             3.71853            -0.03139
     C             2.35623             3.26929             0.01760
     C             1.58995             4.44199             0.48976
     C             2.49411             5.59822             0.71449
     C             3.88044             5.14519             0.37935
     C             5.67247             1.21272             1.74787
     C             4.67404             1.54762             0.78723
     C             4.91161             2.92020             0.36734
     C             6.09882             3.38280             1.12542
     C             6.61127             2.32075             1.89384
     C             1.52555             0.62625             2.35100
     C             1.04540             1.68484             1.44097
     C             2.09954             1.91114             0.46719
     C             3.34199             1.12621             0.85863
     C             2.98722             0.32975             2.02106
     C             0.03188             4.29271             3.80545
     C             0.38999             5.09650             2.61057
     C             0.55313             4.17530             1.47817
     C             0.29192             2.78988             1.97924
     C            -0.07535             2.89786             3.39555
     C             3.13776             6.96827             3.97991
     C             3.51678             6.93623             2.60135
     C             2.33448             6.49779             1.81409
     C             1.25738             6.24842             2.77481
     C             1.73993             6.61033             4.10211
     C             6.73799             5.19033             2.75080
     C             6.18959             4.76590             1.46889
     C             5.00981             5.62222             1.11116
     C             4.83528             6.52652             2.21274
     C             5.82359             6.22821             3.22160
     C             4.40972             1.46991             6.24246
     C             3.06166             1.86000             6.59045
     C             3.11911             3.24846             7.02962
     C             4.45014             3.72015             6.88891
     C             5.26681             2.63504             6.38408
     C             3.94856             0.03612             3.06505
     C             3.52435             0.05551             4.42931
     C             4.69339             0.59601             5.16790
     C             5.80488             0.80423             4.26452
     C             5.30728             0.51618             2.91799
     C             0.21674             1.78248             4.26325
     C             0.71976             2.19573             5.60175
     C             1.93344             1.39560             5.85728
     C             2.18310             0.46613             4.73515
     C             1.09173             0.68261             3.73829
     C             1.33970             5.84680             5.27874
     C             2.34875             5.49979             6.27234
     C             2.04875             4.11453             6.74731
     C             0.80025             3.60119             6.08324
     C             0.42193             4.69902             5.12173
     C             5.44308             6.25714             4.56971
     C             5.88065             5.19060             5.49069
     C             4.75928             5.02868             6.45618
     C             3.69262             5.89349             6.11862
     C             4.09916             6.65406             4.96582
     C             7.35412             2.50999             3.19567
     C             6.64623             1.93913             4.41625
     C             6.38220             2.87400             5.48323
     C             6.74744             4.17984             5.04923
     C             7.48141             4.16560             3.63846
     C             9.15314             4.29300             3.76004
     C             8.92703             2.82305             3.33219
     C            10.37366             4.80735             4.04809
     H            10.50933             5.76894             4.53556
     C            11.47926             4.02603             3.83405
     H            12.49779             4.51733             4.03136
     C            11.38132             2.71045             3.32590
     H            12.30286             2.13289             3.04034
     C            10.12122             2.13091             3.12906
     H             9.98224             1.08576             2.71346
           70
 Energy:   -462.2720414612605    
     C             3.80338             3.78454            -0.02420
     C             2.41637             3.31204             0.04641
     C             1.61159             4.41180             0.58496
     C             2.51929             5.54866             0.76438
     C             3.82404             5.16346             0.37748
     C             5.67359             1.19366             1.74208
     C             4.65241             1.56578             0.70588
     C             4.86688             2.94850             0.33101
     C             6.03627             3.43638             1.11968
     C             6.58630             2.28674             1.90963
     C             1.54678             0.60333             2.33497
     C             1.11913             1.70310             1.42388
     C             2.18089             1.97633             0.43298
     C             3.28661             1.13137             0.81577
     C             2.94079             0.35255             2.00825
     C             0.03088             4.31581             3.77378
     C             0.43829             5.06768             2.61415
     C             0.59867             4.14646             1.49743
     C             0.33041             2.79204             1.92110
     C            -0.08556             2.88681             3.34221
     C             3.10473             7.04652             4.00194
     C             3.53190             6.92775             2.59850
     C             2.38342             6.49229             1.81537
     C             1.25989             6.20778             2.73696
     C             1.69504             6.60548             4.11694
     C             6.71974             5.13950             2.73935
     C             6.12011             4.78988             1.44445
     C             4.99896             5.62845             1.07987
     C             4.82971             6.54717             2.21252
     C             5.86572             6.21859             3.23226
     C             4.43297             1.45712             6.23518
     C             3.04696             1.83903             6.69971
     C             3.10211             3.25870             7.10564
     C             4.48637             3.73625             6.93007
     C             5.31636             2.67489             6.40545
     C             3.89280             0.05799             2.97266
     C             3.50362             0.06841             4.39428
     C             4.63053             0.56699             5.13637
     C             5.79990             0.78328             4.20235
     C             5.27014             0.48655             2.88832
     C             0.27341             1.83935             4.25023
     C             0.69593             2.21241             5.65019
     C             1.91526             1.34161             5.91730
     C             2.17165             0.47678             4.73751
     C             1.15706             0.71871             3.72470
     C             1.34538             5.84210             5.25675
     C             2.33262             5.44725             6.26027
     C             2.03535             4.11455             6.70716
     C             0.81034             3.62096             6.08661
     C             0.46064             4.66666             5.10049
     C             5.41556             6.24371             4.59852
     C             5.90085             5.22243             5.55882
     C             4.79326             5.00593             6.46836
     C             3.68075             5.89533             6.10842
     C             4.07035             6.68584             4.96747
     C             7.35642             2.53009             3.20554
     C             6.67694             1.84756             4.46837
     C             6.38073             2.83802             5.46396
     C             6.71969             4.16216             5.07492
     C             7.43985             4.12892             3.72440
     C             9.06367             4.21921             3.79215
     C             8.95053             2.84825             3.30462
     C            10.29823             4.73803             4.12984
     H            10.32193             5.60731             4.76232
     C            11.48503             4.05356             3.76985
     H            12.52407             4.49672             3.99018
     C            11.33928             2.79929             3.27536
     H            12.25250             2.29731             2.90727
     C            10.12503             2.15466             3.06565
     H            10.21250             1.20819             2.43432
           70
 Energy:   -462.6334029167130    
     C             3.84447             3.82416            -0.05618
     C             2.49149             3.35811             0.05432
     C             1.68224             4.40191             0.61159
     C             2.51135             5.55567             0.78471
     C             3.88699             5.20222             0.38321
     C             5.66071             1.19800             1.68540
     C             4.63238             1.55939             0.66786
     C             4.90847             2.95605             0.31854
     C             6.02266             3.37912             1.07278
     C             6.54306             2.35561             1.92241
     C             1.52944             0.70479             2.35070
     C             1.11315             1.71837             1.40551
     C             2.22706             2.02074             0.46264
     C             3.30704             1.08402             0.78564
     C             2.86185             0.32416             1.92642
     C            -0.00102             4.26480             3.75747
     C             0.46030             5.05688             2.60755
     C             0.62662             4.15295             1.50208
     C             0.33645             2.79030             1.91975
     C            -0.07989             2.86868             3.31373
     C             3.09092             7.11484             3.98889
     C             3.49100             6.97359             2.58045
     C             2.35128             6.42863             1.85890
     C             1.27246             6.23112             2.77707
     C             1.70336             6.60285             4.09600
     C             6.66732             5.09488             2.72345
     C             6.11169             4.74436             1.43577
     C             4.99570             5.67707             1.09499
     C             4.84991             6.57083             2.24062
     C             5.85664             6.20275             3.25721
     C             4.43629             1.47478             6.25470
     C             3.04772             1.80632             6.72815
     C             3.10342             3.23366             7.14739
     C             4.52726             3.69652             6.99630
     C             5.31362             2.56802             6.40374
     C             3.82870             0.03407             2.94150
     C             3.44858             0.11786             4.33796
     C             4.63905             0.55937             5.15888
     C             5.70786             0.77851             4.22113
     C             5.25556             0.40899             2.82566
     C             0.36286             1.88069             4.24255
     C             0.79494             2.22028             5.66363
     C             1.90490             1.31186             5.98854
     C             2.15535             0.47876             4.79905
     C             1.19917             0.82180             3.73754
     C             1.31455             5.77790             5.22825
     C             2.32243             5.43507             6.23145
     C             2.01338             4.08753             6.76262
     C             0.83470             3.60386             5.98215
     C             0.43330             4.64238             5.04197
     C             5.46233             6.27400             4.61088
     C             5.90509             5.26596             5.53962
     C             4.79840             5.05147             6.51110
     C             3.65856             5.89513             6.14822
     C             4.07765             6.70387             4.98225
     C             7.35866             2.53506             3.20765
     C             6.70506             1.80581             4.44733
     C             6.36301             2.77566             5.47411
     C             6.68110             4.13890             5.12472
     C             7.39143             4.19906             3.73149
     C             9.01284             4.19144             3.85714
     C             8.90662             2.82827             3.26577
     C            10.22394             4.67483             4.20693
     H            10.29731             5.57234             4.78757
     C            11.39564             4.12559             3.77089
     H            12.41957             4.54765             3.89044
     C            11.33204             2.83914             3.17875
     H            12.24762             2.31560             2.90385
     C            10.10816             2.22125             2.94383
     H            10.01347             1.16556             2.54773
           70
 Energy:   -462.0075707883516    
     C             3.91749             3.83349            -0.10287
     C             2.53220             3.32069             0.05489
     C             1.72973             4.42258             0.56470
     C             2.57683             5.59861             0.76477
     C             3.93095             5.26348             0.36710
     C             5.64545             1.18918             1.69881
     C             4.67253             1.53568             0.67402
     C             4.92405             2.89747             0.25282
     C             6.09458             3.41125             1.03494
     C             6.50231             2.34443             1.93116
     C             1.52901             0.80043             2.35622
     C             1.08236             1.79240             1.38142
     C             2.20169             2.01708             0.49290
     C             3.30293             1.07245             0.73967
     C             2.86467             0.22804             1.90993
     C            -0.04651             4.24988             3.71103
     C             0.41560             5.06894             2.62725
     C             0.65455             4.16950             1.47314
     C             0.29533             2.82688             1.91443
     C            -0.06538             2.85642             3.34155
     C             3.12890             7.11031             4.01129
     C             3.49824             7.03639             2.58299
     C             2.32895             6.43554             1.88637
     C             1.23333             6.20632             2.82706
     C             1.73423             6.61145             4.14946
     C             6.60705             5.10357             2.76243
     C             6.11450             4.74167             1.45613
     C             5.07245             5.70235             1.14365
     C             4.82089             6.60303             2.27153
     C             5.81249             6.18647             3.24280
     C             4.35785             1.36495             6.26480
     C             3.08212             1.80048             6.71024
     C             3.13002             3.20455             7.15900
     C             4.54864             3.67508             7.00916
     C             5.28464             2.54218             6.44612
     C             3.81163            -0.01333             2.94759
     C             3.44721             0.15153             4.38749
     C             4.56320             0.57033             5.12116
     C             5.72506             0.77779             4.16259
     C             5.22569             0.38433             2.81677
     C             0.42033             1.93251             4.28073
     C             0.86528             2.21988             5.56923
     C             1.93426             1.29781             6.03282
     C             2.14373             0.46575             4.81347
     C             1.24174             0.87939             3.76852
     C             1.32659             5.75890             5.17507
     C             2.29521             5.42979             6.24031
     C             1.99769             4.08355             6.78060
     C             0.90393             3.56657             5.95727
     C             0.40563             4.60192             5.02241
     C             5.47339             6.34968             4.62835
     C             5.87435             5.22086             5.56778
     C             4.79493             5.01582             6.56957
     C             3.67343             5.91631             6.15223
     C             4.08832             6.72667             4.98825
     C             7.28206             2.56380             3.20506
     C             6.63326             1.83430             4.38811
     C             6.36836             2.75395             5.49482
     C             6.64415             4.11533             5.10975
     C             7.34592             4.17332             3.70913
     C             8.96386             4.16385             3.90419
     C             8.84849             2.86631             3.23263
     C            10.15019             4.70366             4.28373
     H            10.19915             5.64497             4.83285
     C            11.31730             4.08978             3.75543
     H            12.16549             4.71932             3.87529
     C            11.30165             2.89447             3.07795
     H            12.21346             2.37026             2.89048
     C            10.04543             2.26817             2.84142
     H            10.13048             1.20680             2.56000
           70
 Energy:   -462.5991387899796    
     C             3.94842             3.82514            -0.11648
     C             2.56211             3.35052             0.03954
     C             1.73472             4.47033             0.53037
     C             2.62977             5.63799             0.74430
     C             4.00587             5.23975             0.31876
     C             5.62009             1.18503             1.75820
     C             4.66125             1.49438             0.66884
     C             5.02541             2.90156             0.17852
     C             6.12224             3.40624             0.99594
     C             6.51226             2.28702             1.90266
     C             1.57448             0.77642             2.36704
     C             1.11278             1.80404             1.42976
     C             2.20445             2.00940             0.43232
     C             3.27220             1.04248             0.75729
     C             2.84914             0.23580             1.93739
     C            -0.09591             4.29570             3.76485
     C             0.35388             5.09740             2.58570
     C             0.64605             4.23659             1.46396
     C             0.26038             2.87695             1.86902
     C            -0.08248             2.89974             3.30985
     C             3.12915             7.08094             4.03864
     C             3.48548             7.05370             2.62316
     C             2.35375             6.50858             1.86360
     C             1.26330             6.21882             2.83508
     C             1.74873             6.59991             4.15838
     C             6.59107             5.11522             2.82651
     C             6.14498             4.79181             1.51005
     C             5.06241             5.71231             1.10520
     C             4.81218             6.60973             2.24652
     C             5.77231             6.23179             3.32859
     C             4.41746             1.36144             6.28189
     C             3.03044             1.79911             6.73041
     C             3.11512             3.21579             7.12797
     C             4.48875             3.64043             7.00362
     C             5.31162             2.48637             6.45883
     C             3.81467            -0.07459             2.98919
     C             3.43355             0.06998             4.35551
     C             4.61407             0.60376             5.06658
     C             5.69156             0.76609             4.14369
     C             5.20280             0.40123             2.83914
     C             0.44736             1.92882             4.22424
     C             0.91432             2.23470             5.60526
     C             1.93011             1.29269             5.96441
     C             2.15580             0.43920             4.80260
     C             1.25531             0.85830             3.72924
     C             1.34709             5.73077             5.24032
     C             2.32535             5.44202             6.27625
     C             2.07306             4.08732             6.75140
     C             0.92552             3.57948             5.99661
     C             0.46284             4.58140             5.05351
     C             5.46566             6.30658             4.70798
     C             5.84855             5.19563             5.57742
     C             4.76921             4.98475             6.54022
     C             3.65613             5.90140             6.16869
     C             4.11380             6.74452             5.04263
     C             7.17122             2.57154             3.17039
     C             6.51535             1.88257             4.38352
     C             6.32024             2.75407             5.47911
     C             6.59823             4.10235             5.08628
     C             7.30431             4.11697             3.72952
     C             8.89285             4.20222             3.93079
     C             8.78445             2.90240             3.18124
     C            10.08736             4.71186             4.29659
     H            10.18722             5.62390             4.89675
     C            11.23205             4.14071             3.77855
     H            12.21002             4.50743             3.84984
     C            11.18111             2.94368             3.00440
     H            12.09778             2.52106             2.65585
     C             9.98951             2.30220             2.78559
     H             9.91737             1.37106             2.26704
           70
 Energy:   -462.4192596481759    
     C             3.95510             3.79580            -0.11678
     C             2.54939             3.37701             0.01907
     C             1.73664             4.51659             0.55862
     C             2.64384             5.64993             0.71636
     C             3.99156             5.20049             0.29329
     C             5.56322             1.20480             1.71172
     C             4.63859             1.51654             0.64304
     C             5.03118             2.89436             0.14230
     C             6.15757             3.38509             1.03440
     C             6.52941             2.30317             1.83454
     C             1.56976             0.72819             2.34424
     C             1.16604             1.80619             1.43847
     C             2.21569             2.01744             0.41029
     C             3.30956             1.03628             0.78361
     C             2.89646             0.30164             1.96390
     C            -0.07876             4.35471             3.77624
     C             0.35677             5.21804             2.61080
     C             0.60477             4.27986             1.41687
     C             0.31820             2.88803             1.85793
     C            -0.11467             2.94563             3.28700
     C             3.13301             7.05794             4.08231
     C             3.52002             7.02559             2.63917
     C             2.38258             6.55153             1.83352
     C             1.29658             6.24727             2.77015
     C             1.73968             6.52815             4.16499
     C             6.59598             5.15751             2.87802
     C             6.16336             4.74862             1.49864
     C             5.09719             5.71275             1.10733
     C             4.82728             6.61554             2.26897
     C             5.77914             6.24164             3.35168
     C             4.42472             1.38246             6.27588
     C             3.06029             1.73655             6.70534
     C             3.10299             3.16149             7.09357
     C             4.50415             3.61933             6.96052
     C             5.31178             2.53654             6.49769
     C             3.81974            -0.12019             2.92036
     C             3.48638            -0.03185             4.39854
     C             4.57958             0.55583             5.14349
     C             5.64027             0.80547             4.17605
     C             5.18584             0.38845             2.84690
     C             0.43063             1.95285             4.19112
     C             0.84736             2.23205             5.58027
     C             1.95988             1.28966             5.90416
     C             2.16449             0.40598             4.74599
     C             1.22456             0.79025             3.72262
     C             1.37505             5.78759             5.29459
     C             2.35240             5.44685             6.31544
     C             2.09901             4.10283             6.73150
     C             0.92893             3.59168             6.05360
     C             0.51535             4.62388             5.08877
     C             5.43254             6.26860             4.73653
     C             5.83108             5.16695             5.58960
     C             4.71977             4.92742             6.49430
     C             3.68345             5.88766             6.21889
     C             4.08313             6.73394             5.12280
     C             7.16339             2.55320             3.16894
     C             6.46955             1.88147             4.35480
     C             6.23278             2.78048             5.44895
     C             6.56214             4.08925             5.12401
     C             7.23362             4.14701             3.77404
     C             8.83736             4.25617             3.89940
     C             8.68969             2.92780             3.17672
     C            10.04803             4.73637             4.28074
     H            10.13512             5.57977             4.99045
     C            11.20135             4.13474             3.76207
     H            12.10342             4.58312             4.12082
     C            11.05913             3.02208             2.98337
     H            11.91468             2.71140             2.40891
     C             9.83815             2.34182             2.71477
     H             9.83941             1.53979             2.03482
           70
 Energy:   -462.2475565126033    
     C             3.91107             3.81324            -0.12600
     C             2.49266             3.35705             0.02776
     C             1.73886             4.50428             0.56136
     C             2.64070             5.66361             0.71769
     C             4.00356             5.24083             0.35852
     C             5.59370             1.20957             1.69015
     C             4.67110             1.57538             0.60930
     C             4.98229             2.90320             0.18792
     C             6.11686             3.39910             0.97870
     C             6.53074             2.25716             1.88373
     C             1.55322             0.72434             2.30543
     C             1.16380             1.82765             1.40768
     C             2.25413             2.02413             0.46399
     C             3.32298             1.13618             0.74544
     C             2.92960             0.32143             1.93752
     C             0.01926             4.42137             3.74976
     C             0.37352             5.20820             2.56457
     C             0.57615             4.32336             1.43441
     C             0.39172             2.93660             1.90597
     C            -0.06441             2.98498             3.30438
     C             3.14331             7.01183             4.08519
     C             3.56750             7.00087             2.66539
     C             2.44235             6.54593             1.82064
     C             1.31404             6.31438             2.77284
     C             1.80476             6.53648             4.11269
     C             6.59679             5.14817             2.82025
     C             6.17617             4.73740             1.54013
     C             5.11161             5.66755             1.12477
     C             4.88752             6.58809             2.29321
     C             5.79295             6.22417             3.32490
     C             4.41996             1.34971             6.30269
     C             3.08489             1.72388             6.64496
     C             3.13366             3.11560             7.07544
     C             4.46421             3.60750             6.97395
     C             5.27300             2.50523             6.45552
     C             3.86724            -0.14519             2.98160
     C             3.45287            -0.13164             4.40398
     C             4.57142             0.44693             5.19180
     C             5.58680             0.80786             4.18653
     C             5.21757             0.42054             2.80955
     C             0.37157             1.93414             4.17518
     C             0.82806             2.22492             5.54212
     C             1.96881             1.28760             5.86187
     C             2.16056             0.37641             4.72225
     C             1.14801             0.76738             3.68521
     C             1.37725             5.82930             5.30866
     C             2.33894             5.45962             6.36368
     C             2.07833             4.03373             6.79096
     C             0.89662             3.57592             5.99846
     C             0.47609             4.68189             5.09708
     C             5.39987             6.29729             4.69983
     C             5.78547             5.16853             5.60338
     C             4.72267             4.90090             6.50478
     C             3.69191             5.88375             6.29989
     C             4.06890             6.71876             5.13756
     C             7.16398             2.56984             3.16973
     C             6.46462             1.90014             4.36718
     C             6.20360             2.76291             5.42953
     C             6.55786             4.10192             5.14864
     C             7.18674             4.21807             3.79968
     C             8.79638             4.27066             3.84213
     C             8.63209             2.97039             3.21519
     C             9.99031             4.77021             4.25210
     H            10.08060             5.57974             4.99037
     C            11.13058             4.14550             3.80979
     H            12.19092             4.44841             4.04204
     C            10.93913             3.06087             2.89664
     H            11.81745             2.70580             2.33410
     C             9.73410             2.44711             2.62826
     H             9.73585             1.58728             2.01261
           70
 Energy:   -462.0044417770734    
     C             3.86701             3.86720            -0.10263
     C             2.50492             3.41190             0.04112
     C             1.69600             4.51876             0.53802
     C             2.63253             5.64936             0.75164
     C             3.97876             5.21602             0.38259
     C             5.64857             1.16574             1.68237
     C             4.70120             1.56135             0.63535
     C             4.93589             2.99470             0.22196
     C             6.12032             3.38804             1.02228
     C             6.51186             2.33717             1.86193
     C             1.55498             0.74553             2.28556
     C             1.13786             1.84493             1.41328
     C             2.22391             2.10554             0.48651
     C             3.35091             1.16422             0.77999
     C             2.94663             0.29098             1.92041
     C             0.09312             4.41312             3.73445
     C             0.44757             5.24947             2.55021
     C             0.66115             4.30008             1.43816
     C             0.41457             2.96493             1.93113
     C             0.06571             3.03316             3.34174
     C             3.21484             6.98852             4.03665
     C             3.62096             6.97410             2.65780
     C             2.46751             6.54145             1.87209
     C             1.31622             6.32207             2.75185
     C             1.80216             6.57542             4.16078
     C             6.61581             5.12253             2.82757
     C             6.14668             4.72355             1.49435
     C             5.09393             5.65560             1.17515
     C             4.89691             6.56895             2.25314
     C             5.84049             6.20309             3.32906
     C             4.41638             1.21641             6.28587
     C             3.02410             1.74345             6.60159
     C             3.06396             3.11675             7.09246
     C             4.47997             3.55286             6.98593
     C             5.25040             2.44613             6.39756
     C             3.84813            -0.11093             2.93608
     C             3.41957            -0.16780             4.38673
     C             4.61584             0.35147             5.14805
     C             5.63986             0.79199             4.18689
     C             5.20517             0.43307             2.87030
     C             0.32162             1.87659             4.18273
     C             0.87938             2.20335             5.50558
     C             1.93380             1.29668             5.81647
     C             2.07689             0.35908             4.69165
     C             1.12166             0.76106             3.63987
     C             1.37955             5.81900             5.29031
     C             2.28996             5.41644             6.43162
     C             1.98359             4.01134             6.79707
     C             0.87700             3.58566             5.92315
     C             0.44510             4.72157             5.07900
     C             5.42006             6.27143             4.70238
     C             5.78645             5.20487             5.56857
     C             4.73503             4.94670             6.59691
     C             3.64811             5.91491             6.31361
     C             4.07424             6.70356             5.11406
     C             7.10441             2.61173             3.23132
     C             6.45445             1.88442             4.37353
     C             6.24942             2.78518             5.46818
     C             6.54201             4.12848             5.13169
     C             7.20491             4.22710             3.77633
     C             8.76264             4.32324             3.86610
     C             8.63705             2.98506             3.20007
     C             9.94082             4.80728             4.23989
     H             9.98783             5.71180             4.85335
     C            11.04571             4.09390             3.77212
     H            12.10724             4.41275             4.07671
     C            10.90072             3.12522             2.81982
     H            11.83204             2.66835             2.41009
     C             9.69586             2.51473             2.54144
     H             9.52885             1.62396             1.95556
           70
 Energy:   -461.3816816078617    
     C             3.90731             3.86865            -0.06046
     C             2.50912             3.46858             0.01665
     C             1.72277             4.59813             0.48358
     C             2.61071             5.66988             0.80145
     C             3.93065             5.24686             0.40580
     C             5.70216             1.18403             1.72303
     C             4.68202             1.57432             0.65653
     C             4.96485             2.95980             0.27443
     C             6.07245             3.43365             1.05063
     C             6.51998             2.35121             1.92574
     C             1.56321             0.73804             2.27836
     C             1.15514             1.84874             1.43174
     C             2.24862             2.13199             0.48595
     C             3.31460             1.16444             0.82487
     C             2.85937             0.31853             1.87925
     C             0.12260             4.42583             3.71962
     C             0.50601             5.20967             2.58382
     C             0.71316             4.29756             1.47189
     C             0.42672             2.93320             1.93568
     C             0.15954             2.99802             3.33371
     C             3.21777             7.01109             4.04911
     C             3.59907             6.95396             2.61771
     C             2.46145             6.52499             1.87759
     C             1.37576             6.36078             2.81808
     C             1.80139             6.62769             4.17703
     C             6.61583             5.13080             2.78238
     C             6.15491             4.76857             1.50354
     C             5.04052             5.64074             1.12576
     C             4.92545             6.57930             2.28694
     C             5.84787             6.22691             3.31703
     C             4.33478             1.18696             6.24106
     C             2.99383             1.66877             6.57715
     C             3.02657             3.11325             7.08548
     C             4.45554             3.56104             6.96387
     C             5.23859             2.41181             6.41906
     C             3.81373            -0.06569             2.90113
     C             3.41234            -0.11475             4.31225
     C             4.60577             0.30190             5.11885
     C             5.69212             0.70207             4.20695
     C             5.20625             0.44006             2.82673
     C             0.34589             1.89880             4.16453
     C             0.84385             2.23400             5.46113
     C             1.90687             1.25818             5.76199
     C             2.07612             0.31049             4.66540
     C             1.11669             0.73265             3.63330
     C             1.38482             5.80894             5.32838
     C             2.25655             5.43147             6.39684
     C             1.91850             4.04508             6.76623
     C             0.85419             3.56949             5.89320
     C             0.48500             4.69054             5.04528
     C             5.43459             6.24713             4.71489
     C             5.81044             5.17180             5.65832
     C             4.76778             4.96233             6.65461
     C             3.61017             5.90248             6.29985
     C             4.11424             6.67034             5.09129
     C             7.08128             2.64478             3.21930
     C             6.48826             1.89067             4.41330
     C             6.28918             2.76543             5.49706
     C             6.53252             4.12447             5.12000
     C             7.17252             4.18956             3.78515
     C             8.72953             4.33665             3.92568
     C             8.63382             2.98562             3.16607
     C             9.95284             4.84205             4.20902
     H            10.14148             5.78391             4.71281
     C            11.00488             4.13682             3.72692
     H            12.01785             4.35786             4.20045
     C            10.93379             3.11080             2.74199
     H            11.87312             2.69765             2.27110
     C             9.72209             2.52027             2.44734
     H             9.76946             1.73310             1.64096
           70
 Energy:   -462.0610113711283    
     C             3.93244             3.85886            -0.03539
     C             2.51603             3.42930            -0.02768
     C             1.69326             4.59710             0.49344
     C             2.61031             5.71433             0.74808
     C             3.95628             5.27936             0.40456
     C             5.63718             1.24580             1.71054
     C             4.67907             1.56571             0.72647
     C             4.95752             2.92618             0.28892
     C             6.07986             3.43001             1.11380
     C             6.49021             2.36236             1.92937
     C             1.48034             0.72969             2.27815
     C             1.19205             1.85233             1.39358
     C             2.27082             2.13014             0.48487
     C             3.31801             1.20063             0.77130
     C             2.85853             0.31947             1.89306
     C             0.13384             4.34903             3.72103
     C             0.56984             5.19951             2.62182
     C             0.72348             4.32226             1.45571
     C             0.47127             2.95859             1.88151
     C             0.09206             3.00565             3.27856
     C             3.20809             7.06483             4.08220
     C             3.58670             6.99795             2.68532
     C             2.42095             6.56150             1.91030
     C             1.33281             6.31864             2.85811
     C             1.82526             6.66016             4.22049
     C             6.62644             5.16427             2.82209
     C             6.14155             4.80930             1.48104
     C             5.09216             5.73995             1.15728
     C             4.86930             6.61119             2.25952
     C             5.84771             6.23527             3.35212
     C             4.32943             1.28750             6.19380
     C             2.95412             1.65953             6.59168
     C             3.00536             3.07426             7.01057
     C             4.37343             3.56263             6.95256
     C             5.20596             2.41675             6.45943
     C             3.81356            -0.00679             2.85835
     C             3.42802            -0.04762             4.24902
     C             4.53827             0.34048             5.12001
     C             5.71972             0.65056             4.18928
     C             5.22665             0.40240             2.78885
     C             0.43276             1.90274             4.09512
     C             0.82705             2.17867             5.47085
     C             1.87095             1.22203             5.78672
     C             2.10270             0.29270             4.64096
     C             1.10229             0.70870             3.64047
     C             1.34044             5.86053             5.27217
     C             2.29532             5.45345             6.35338
     C             1.99091             4.02593             6.76803
     C             0.84748             3.57714             5.93050
     C             0.53048             4.67916             5.02138
     C             5.48082             6.19742             4.74332
     C             5.85853             5.17819             5.71824
     C             4.71632             4.92614             6.64962
     C             3.67976             5.84734             6.27309
     C             4.09647             6.63901             5.10865
     C             7.15056             2.60955             3.23229
     C             6.53069             1.80518             4.42013
     C             6.24620             2.70185             5.53572
     C             6.51948             4.04844             5.19950
     C             7.17288             4.16676             3.76617
     C             8.76321             4.28305             3.92525
     C             8.66002             3.00300             3.11907
     C             9.94837             4.87533             4.16043
     H            10.11601             5.78608             4.72304
     C            11.08803             4.14171             3.64960
     H            12.08168             4.37664             4.05460
     C            10.99132             3.12215             2.72218
     H            11.90679             2.85579             2.15844
     C             9.75169             2.56520             2.40068
     H             9.58605             1.83141             1.52405
           70
 Energy:   -462.2516757177156    
     C             3.91035             3.89644            -0.04779
     C             2.53416             3.44933            -0.00951
     C             1.74126             4.55335             0.46265
     C             2.61566             5.76346             0.71224
     C             4.02789             5.28057             0.38590
     C             5.60127             1.23206             1.76890
     C             4.64825             1.61457             0.69673
     C             4.95424             2.99513             0.29958
     C             6.07633             3.45802             1.10716
     C             6.48451             2.34243             1.96199
     C             1.49086             0.69552             2.19527
     C             1.14807             1.87977             1.35019
     C             2.25920             2.10314             0.43551
     C             3.31626             1.14024             0.76217
     C             2.88496             0.34126             1.85424
     C             0.12319             4.32089             3.71894
     C             0.52781             5.15249             2.63417
     C             0.70042             4.35591             1.44287
     C             0.45134             2.99251             1.82917
     C             0.00022             2.93738             3.21065
     C             3.21067             7.10078             4.15942
     C             3.55404             7.07746             2.71654
     C             2.41020             6.60107             1.91541
     C             1.34268             6.32531             2.87092
     C             1.78292             6.67947             4.19538
     C             6.61904             5.15241             2.85521
     C             6.17306             4.82263             1.52241
     C             5.10972             5.81044             1.12953
     C             4.87465             6.67261             2.36070
     C             5.79750             6.24717             3.37286
     C             4.30208             1.31655             6.18727
     C             2.97006             1.69256             6.57721
     C             2.99514             3.07460             6.98906
     C             4.36512             3.52106             6.95216
     C             5.16482             2.45847             6.45776
     C             3.86400             0.00209             2.86660
     C             3.41206            -0.00616             4.26489
     C             4.56455             0.47487             5.06104
     C             5.68867             0.64096             4.16411
     C             5.25221             0.36616             2.81079
     C             0.43338             1.91060             4.09474
     C             0.82419             2.18977             5.48492
     C             1.86218             1.16149             5.85854
     C             2.06867             0.33552             4.65253
     C             1.12386             0.71635             3.59847
     C             1.36694             5.84203             5.31196
     C             2.33073             5.42079             6.33809
     C             2.01368             4.04341             6.71320
     C             0.88908             3.55402             5.96283
     C             0.50743             4.65964             5.03467
     C             5.46504             6.21820             4.77486
     C             5.87259             5.11944             5.73630
     C             4.71888             4.86148             6.59554
     C             3.66857             5.83064             6.23570
     C             4.14371             6.61673             5.12815
     C             7.19597             2.49549             3.25054
     C             6.56099             1.73024             4.43612
     C             6.21876             2.62086             5.51559
     C             6.56028             3.99530             5.21991
     C             7.22561             4.14299             3.85702
     C             8.83959             4.25091             3.85422
     C             8.69429             3.02828             3.10790
     C            10.04396             4.80572             4.09855
     H            10.02567             5.71881             4.66215
     C            11.16083             4.20367             3.62654
     H            12.09785             4.62301             3.84707
     C            11.01392             3.14967             2.67926
     H            11.87701             2.76833             2.13829
     C             9.77465             2.63493             2.39394
     H             9.63964             1.83565             1.59676
           70
 Energy:   -462.5124363304511    
     C             3.94409             3.93268            -0.07755
     C             2.56422             3.45483             0.03589
     C             1.75553             4.63688             0.50040
     C             2.66280             5.76333             0.73457
     C             3.98560             5.35400             0.36622
     C             5.60233             1.24387             1.74245
     C             4.65790             1.65131             0.67823
     C             4.95621             3.04239             0.31215
     C             6.09700             3.47187             1.12718
     C             6.49170             2.34740             1.99219
     C             1.53645             0.70745             2.16451
     C             1.12421             1.82751             1.28031
     C             2.24342             2.09414             0.35286
     C             3.31853             1.15689             0.69309
     C             2.90650             0.30167             1.85619
     C             0.05023             4.29491             3.72817
     C             0.49265             5.20825             2.60670
     C             0.70581             4.34945             1.40538
     C             0.33814             2.94201             1.78899
     C            -0.02925             2.93965             3.21650
     C             3.15321             7.11224             4.16512
     C             3.56532             7.14650             2.72178
     C             2.44462             6.60923             1.88139
     C             1.33289             6.31041             2.83181
     C             1.75878             6.65252             4.26021
     C             6.58088             5.10886             2.95181
     C             6.19142             4.85182             1.57635
     C             5.13705             5.82029             1.17843
     C             4.89217             6.69978             2.37272
     C             5.82207             6.19080             3.44896
     C             4.30928             1.28808             6.18992
     C             2.95048             1.68209             6.57154
     C             3.02158             3.11229             7.04553
     C             4.41286             3.53268             6.96739
     C             5.18775             2.39271             6.38520
     C             3.80092            -0.06679             2.89112
     C             3.41079             0.05105             4.29900
     C             4.53191             0.55573             5.03553
     C             5.69419             0.68511             4.17353
     C             5.24284             0.34656             2.82348
     C             0.35258             1.88798             4.11035
     C             0.83105             2.18609             5.48884
     C             1.80743             1.19590             5.85961
     C             2.07025             0.33980             4.66527
     C             1.16709             0.77847             3.55060
     C             1.37290             5.78616             5.31646
     C             2.31651             5.37671             6.32835
     C             2.01003             4.02093             6.69331
     C             0.88642             3.54916             5.90768
     C             0.46888             4.62841             5.07243
     C             5.50213             6.20276             4.81179
     C             5.85229             5.04780             5.66206
     C             4.71971             4.83669             6.55934
     C             3.67928             5.78084             6.24228
     C             4.12174             6.66829             5.15087
     C             7.25645             2.50312             3.28330
     C             6.59130             1.71330             4.44433
     C             6.25299             2.63666             5.48812
     C             6.61890             3.95914             5.21654
     C             7.27699             4.09932             3.87318
     C             8.87917             4.26306             3.83066
     C             8.71549             2.96788             3.08799
     C            10.09548             4.78713             4.09562
     H            10.26962             5.69731             4.66387
     C            11.27051             4.23959             3.52215
     H            12.22098             4.64106             3.61313
     C            11.07231             3.21457             2.66040
     H            11.93328             2.75315             2.24006
     C             9.82035             2.62253             2.36469
     H             9.84635             1.78866             1.65131
           70
 Energy:   -462.4962756438904    
     C             3.97521             3.99969            -0.06775
     C             2.55647             3.52151             0.04268
     C             1.77526             4.63435             0.56133
     C             2.66551             5.78367             0.79740
     C             4.05930             5.41159             0.38332
     C             5.60646             1.24669             1.71496
     C             4.68867             1.66418             0.68360
     C             5.01403             3.05121             0.32789
     C             6.13275             3.49035             1.19384
     C             6.50343             2.37584             1.98929
     C             1.54964             0.77701             2.20290
     C             1.09780             1.78634             1.22152
     C             2.22357             2.11107             0.31844
     C             3.35420             1.17611             0.65387
     C             2.90322             0.29572             1.79032
     C            -0.00915             4.37766             3.69529
     C             0.44010             5.17276             2.58674
     C             0.65204             4.31186             1.42352
     C             0.29198             2.88803             1.75091
     C            -0.05022             2.95820             3.24452
     C             3.15638             7.11703             4.14471
     C             3.58838             7.13766             2.72693
     C             2.47381             6.63160             1.93052
     C             1.34716             6.33122             2.84231
     C             1.76292             6.59294             4.20518
     C             6.57923             5.03862             2.98527
     C             6.17249             4.81338             1.63172
     C             5.11990             5.79404             1.24157
     C             4.94086             6.67752             2.40189
     C             5.83218             6.18328             3.47213
     C             4.29523             1.28925             6.20676
     C             2.93036             1.69410             6.62509
     C             3.06083             3.05070             7.10136
     C             4.48584             3.47533             6.96366
     C             5.22763             2.40336             6.39622
     C             3.79437            -0.11418             2.89605
     C             3.38441             0.05396             4.28373
     C             4.51302             0.50697             5.04475
     C             5.67219             0.72333             4.16215
     C             5.19147             0.36485             2.77295
     C             0.30846             1.86787             4.09213
     C             0.74336             2.17598             5.43766
     C             1.82939             1.24394             5.80523
     C             2.05756             0.38188             4.64531
     C             1.17837             0.82038             3.58512
     C             1.30840             5.73830             5.27958
     C             2.31290             5.34976             6.32520
     C             1.99841             3.95568             6.73067
     C             0.87586             3.50979             5.89136
     C             0.42522             4.63069             5.01538
     C             5.47277             6.21277             4.84433
     C             5.81140             5.02901             5.60602
     C             4.75338             4.81977             6.53727
     C             3.66757             5.77568             6.25672
     C             4.09766             6.69747             5.18709
     C             7.24918             2.52231             3.25546
     C             6.63434             1.77481             4.42705
     C             6.31845             2.62778             5.51365
     C             6.66130             3.98595             5.20340
     C             7.33710             4.08137             3.81185
     C             8.94794             4.26125             3.85700
     C             8.81119             2.96457             3.07870
     C            10.19619             4.82717             4.09360
     H            10.24129             5.66276             4.81668
     C            11.28945             4.31789             3.42878
     H            12.25333             4.71356             3.64909
     C            11.13502             3.17549             2.58364
     H            11.99907             2.75362             2.12964
     C             9.93443             2.54734             2.35329
     H             9.80596             1.75197             1.66928
           70
 Energy:   -462.2310539959777    
     C             4.00269             3.99824            -0.01963
     C             2.59440             3.54291             0.02257
     C             1.76985             4.59503             0.64709
     C             2.68436             5.79888             0.84284
     C             4.05626             5.40615             0.44294
     C             5.63804             1.25934             1.72887
     C             4.69899             1.69106             0.64658
     C             5.03288             3.09853             0.31833
     C             6.11074             3.45798             1.18051
     C             6.51780             2.32371             1.97036
     C             1.56777             0.81410             2.19601
     C             1.07481             1.83374             1.24074
     C             2.25862             2.16406             0.32062
     C             3.33386             1.19296             0.66802
     C             2.87925             0.34091             1.78195
     C            -0.06184             4.35869             3.65378
     C             0.44305             5.21273             2.55235
     C             0.62988             4.29609             1.41081
     C             0.29814             2.90690             1.79306
     C            -0.11055             2.96397             3.18183
     C             3.19446             7.07944             4.17712
     C             3.64119             7.07765             2.76923
     C             2.45304             6.63636             1.97242
     C             1.31432             6.26871             2.80771
     C             1.80174             6.54967             4.17635
     C             6.61355             5.09715             2.95840
     C             6.11845             4.77210             1.66917
     C             5.16138             5.76289             1.31514
     C             4.93679             6.64783             2.45815
     C             5.85195             6.19748             3.47182
     C             4.31151             1.27673             6.20045
     C             2.96791             1.65037             6.63177
     C             3.06523             3.05052             7.13871
     C             4.44963             3.48141             6.99196
     C             5.27044             2.36760             6.43547
     C             3.80229            -0.06823             2.78847
     C             3.36112            -0.03283             4.22845
     C             4.53412             0.43468             5.07096
     C             5.63409             0.75557             4.10916
     C             5.18796             0.42870             2.77858
     C             0.28614             1.89879             4.05185
     C             0.69445             2.15555             5.45217
     C             1.85001             1.29643             5.78327
     C             2.07734             0.45904             4.61097
     C             1.13077             0.81802             3.55454
     C             1.33665             5.74973             5.25820
     C             2.25923             5.30967             6.30415
     C             1.99384             3.92632             6.74378
     C             0.80453             3.50687             5.88957
     C             0.42155             4.59686             5.00563
     C             5.41061             6.24257             4.79956
     C             5.81756             5.06621             5.60701
     C             4.71706             4.77949             6.55035
     C             3.63363             5.77688             6.28714
     C             4.09453             6.68017             5.20865
     C             7.30303             2.53548             3.20600
     C             6.58011             1.75159             4.39618
     C             6.39916             2.65647             5.54576
     C             6.69028             4.01750             5.18169
     C             7.40937             4.08656             3.83439
     C             9.05860             4.25911             3.85024
     C             8.89049             2.98989             3.09100
     C            10.22213             4.84895             4.08175
     H            10.38880             5.65917             4.82919
     C            11.29084             4.32892             3.33346
     H            12.30037             4.76504             3.50206
     C            11.23618             3.17946             2.52426
     H            12.10176             2.85976             1.96099
     C             9.98054             2.47869             2.39921
     H             9.91444             1.68898             1.72174
           70
 Energy:   -462.3290360986505    
     C             3.98226             4.01352             0.00828
     C             2.62712             3.52131             0.05071
     C             1.84154             4.60921             0.61864
     C             2.68012             5.73854             0.85870
     C             4.02492             5.35354             0.54068
     C             5.61317             1.26016             1.66057
     C             4.67847             1.66910             0.63011
     C             4.99942             3.04713             0.29105
     C             6.12436             3.44823             1.16340
     C             6.59133             2.33592             1.90827
     C             1.51440             0.80954             2.14154
     C             1.14820             1.94004             1.28608
     C             2.25305             2.19136             0.37449
     C             3.33051             1.26284             0.67762
     C             2.87272             0.43205             1.77826
     C            -0.07653             4.32214             3.67007
     C             0.37688             5.18240             2.54934
     C             0.66249             4.33671             1.40310
     C             0.31889             2.98445             1.78253
     C            -0.18562             2.95285             3.16269
     C             3.16476             7.00233             4.19681
     C             3.58559             7.02549             2.81893
     C             2.47247             6.61436             1.94533
     C             1.36216             6.27885             2.84605
     C             1.81008             6.53012             4.21503
     C             6.73936             5.14515             2.98332
     C             6.14746             4.74923             1.70048
     C             5.10724             5.75401             1.30478
     C             4.93103             6.61722             2.44778
     C             5.89588             6.24091             3.47683
     C             4.38266             1.20598             6.17507
     C             2.99049             1.64904             6.59206
     C             2.99923             3.02031             7.11171
     C             4.43021             3.47095             7.02209
     C             5.28424             2.36825             6.46744
     C             3.81165             0.00354             2.77074
     C             3.40391            -0.08922             4.19537
     C             4.52293             0.36744             5.00544
     C             5.59145             0.75963             4.13667
     C             5.17819             0.48571             2.75490
     C             0.25247             1.92160             4.05262
     C             0.70808             2.17130             5.47324
     C             1.85678             1.30510             5.76577
     C             2.10869             0.48180             4.54017
     C             1.10157             0.83165             3.50726
     C             1.35437             5.67997             5.24643
     C             2.27372             5.30521             6.31724
     C             1.91907             3.93193             6.69541
     C             0.75121             3.51640             5.94429
     C             0.42380             4.60979             4.97185
     C             5.43215             6.19185             4.81722
     C             5.82354             5.09104             5.65093
     C             4.67379             4.82426             6.54892
     C             3.60125             5.75001             6.30083
     C             4.07066             6.62988             5.23314
     C             7.37370             2.51402             3.22669
     C             6.56886             1.79955             4.38659
     C             6.37323             2.64808             5.53544
     C             6.69980             4.04074             5.22240
     C             7.44450             4.14543             3.84059
     C             9.04222             4.26873             3.83336
     C             8.89529             2.96221             3.09928
     C            10.30670             4.82150             4.02001
     H            10.52246             5.72289             4.63171
     C            11.35451             4.31771             3.27828
     H            12.32055             4.93538             3.21486
     C            11.23365             3.19749             2.48227
     H            12.10524             2.91678             1.87808
     C            10.07054             2.48781             2.47085
     H            10.02348             1.57198             1.93158
           70
 Energy:   -462.1877587347536    
     C             3.99465             3.94006             0.00837
     C             2.59395             3.53901             0.07867
     C             1.78102             4.61678             0.55055
     C             2.68175             5.71550             0.87099
     C             4.01615             5.28253             0.55548
     C             5.67691             1.25907             1.62415
     C             4.68373             1.66135             0.60854
     C             5.01737             3.03558             0.28719
     C             6.14534             3.48907             1.10570
     C             6.65492             2.31443             1.87941
     C             1.45534             0.83207             2.10820
     C             1.18671             2.00608             1.31306
     C             2.26964             2.24051             0.41257
     C             3.30617             1.30427             0.69263
     C             2.88308             0.45965             1.79463
     C            -0.09099             4.35903             3.67455
     C             0.41360             5.24209             2.61298
     C             0.70368             4.41009             1.41208
     C             0.32848             3.01846             1.74097
     C            -0.20007             2.96205             3.18466
     C             3.14115             6.94437             4.21013
     C             3.59409             6.99087             2.79190
     C             2.45683             6.56350             1.98207
     C             1.31279             6.26647             2.88470
     C             1.74934             6.50587             4.24635
     C             6.78447             5.19697             2.95034
     C             6.23006             4.80562             1.68825
     C             5.13508             5.69899             1.35610
     C             4.90736             6.63234             2.46947
     C             5.93881             6.27024             3.50102
     C             4.35412             1.18905             6.19659
     C             2.98113             1.62456             6.49414
     C             2.98656             3.01240             7.01630
     C             4.40591             3.47058             7.00349
     C             5.24952             2.37372             6.45291
     C             3.78640             0.04863             2.80066
     C             3.38218            -0.03981             4.17304
     C             4.54315             0.37592             5.01800
     C             5.67129             0.78898             4.09454
     C             5.17611             0.52883             2.73181
     C             0.24005             1.88572             4.08885
     C             0.71970             2.18423             5.42526
     C             1.88937             1.23977             5.67388
     C             2.10282             0.44509             4.48856
     C             1.11384             0.86782             3.50786
     C             1.35408             5.64718             5.25442
     C             2.24471             5.26632             6.32877
     C             1.91417             3.91610             6.73872
     C             0.70921             3.52487             5.93718
     C             0.40121             4.56942             5.00608
     C             5.45516             6.19147             4.86492
     C             5.82297             5.03007             5.73682
     C             4.70452             4.78093             6.61952
     C             3.62086             5.73724             6.28783
     C             4.08103             6.58070             5.19747
     C             7.33255             2.54638             3.24287
     C             6.56125             1.82531             4.39363
     C             6.27963             2.69059             5.50349
     C             6.70042             4.02336             5.26961
     C             7.46469             4.11166             3.85709
     C             9.09310             4.28566             3.81868
     C             8.91480             2.96752             3.14053
     C            10.32956             4.78740             3.93238
     H            10.38918             5.72946             4.47460
     C            11.44043             4.34356             3.21670
     H            12.39045             4.99208             3.10848
     C            11.25258             3.22076             2.45394
     H            12.02983             2.79925             1.77222
     C            10.04262             2.47521             2.55322
     H            10.06824             1.43780             2.17267
           70
 Energy:   -462.0106453423480    
     C             3.95198             3.91863             0.01031
     C             2.55724             3.56689            -0.00200
     C             1.71617             4.69305             0.51381
     C             2.68013             5.73374             0.86436
     C             4.09213             5.26311             0.55730
     C             5.73627             1.23340             1.62304
     C             4.75657             1.67285             0.61232
     C             5.07701             3.06791             0.27976
     C             6.24268             3.48735             1.10435
     C             6.64910             2.36113             1.85999
     C             1.51156             0.86626             2.15246
     C             1.11538             1.99314             1.28194
     C             2.27538             2.24917             0.43597
     C             3.35539             1.28423             0.71690
     C             2.82304             0.43056             1.79828
     C            -0.09892             4.39183             3.70661
     C             0.43811             5.22122             2.62508
     C             0.62915             4.43507             1.47168
     C             0.29667             3.06863             1.80933
     C            -0.14439             2.99893             3.17540
     C             3.15439             6.93580             4.18416
     C             3.56306             6.97032             2.81212
     C             2.40481             6.50466             2.02878
     C             1.29333             6.33092             2.89745
     C             1.73933             6.52407             4.24686
     C             6.78744             5.20271             2.97813
     C             6.30161             4.82347             1.61476
     C             5.13546             5.68103             1.39107
     C             4.96403             6.60244             2.51001
     C             5.93929             6.26097             3.53847
     C             4.31595             1.22121             6.18643
     C             2.94165             1.62953             6.42490
     C             3.00407             2.97732             6.92279
     C             4.36592             3.40373             6.96559
     C             5.16794             2.35106             6.40883
     C             3.81608             0.09149             2.78341
     C             3.41369             0.05352             4.19593
     C             4.59949             0.44194             5.02951
     C             5.67983             0.76482             4.06849
     C             5.19679             0.52554             2.72549
     C             0.23210             1.90398             4.01813
     C             0.76551             2.11899             5.40300
     C             1.84999             1.23644             5.62682
     C             2.03704             0.40019             4.46921
     C             1.08976             0.84203             3.47069
     C             1.29395             5.64623             5.30860
     C             2.26873             5.25551             6.33869
     C             1.89681             3.87824             6.78201
     C             0.75314             3.42744             5.94682
     C             0.35720             4.57230             5.05241
     C             5.51160             6.16728             4.90082
     C             5.87073             5.04741             5.76643
     C             4.71135             4.77928             6.69317
     C             3.62372             5.66766             6.30291
     C             4.10044             6.52230             5.17945
     C             7.29520             2.58556             3.22095
     C             6.55353             1.84811             4.38318
     C             6.21967             2.68184             5.48123
     C             6.68323             4.01528             5.24743
     C             7.44153             4.17031             3.89795
     C             9.10897             4.26007             3.80262
     C             8.88833             2.96421             3.19952
     C            10.36894             4.87288             3.86983
     H            10.54682             5.76672             4.45443
     C            11.44728             4.36871             3.13902
     H            12.44982             4.87037             3.22366
     C            11.24107             3.16615             2.43460
     H            12.06480             2.81255             1.75238
     C            10.05748             2.43028             2.60862
     H            10.00615             1.35106             2.23797
           70
 Energy:   -461.7541600081209    
     C             3.99194             3.98936             0.01120
     C             2.49613             3.58009            -0.06860
     C             1.69135             4.71158             0.51305
     C             2.70260             5.76678             0.85020
     C             4.01032             5.31202             0.57594
     C             5.76484             1.27687             1.63573
     C             4.79062             1.67627             0.62324
     C             5.09563             3.09196             0.26783
     C             6.29397             3.50872             1.06195
     C             6.66343             2.37306             1.92732
     C             1.51909             0.90070             2.12364
     C             1.05700             1.96443             1.27329
     C             2.24219             2.23446             0.39219
     C             3.39309             1.29099             0.72205
     C             2.90648             0.42301             1.77850
     C            -0.07870             4.36600             3.76381
     C             0.37428             5.26450             2.68685
     C             0.60460             4.41968             1.40913
     C             0.29956             3.03067             1.80959
     C            -0.11092             3.05392             3.22676
     C             3.17156             6.92861             4.25340
     C             3.59999             6.92078             2.82033
     C             2.46745             6.54004             2.00169
     C             1.25948             6.34715             2.91179
     C             1.75632             6.56187             4.32100
     C             6.78792             5.16822             2.99253
     C             6.34777             4.84746             1.65685
     C             5.17001             5.71159             1.35916
     C             4.90731             6.55480             2.53971
     C             5.94205             6.18758             3.54916
     C             4.29818             1.21377             6.10383
     C             2.91649             1.61311             6.39493
     C             2.94166             2.96234             6.93503
     C             4.36199             3.41875             6.92914
     C             5.17790             2.35462             6.35182
     C             3.82499             0.10051             2.80008
     C             3.42505             0.11826             4.18216
     C             4.55848             0.47320             4.95867
     C             5.68445             0.75460             4.10501
     C             5.26289             0.47309             2.71220
     C             0.27315             1.92297             3.98230
     C             0.69538             2.10836             5.34224
     C             1.79828             1.18486             5.65065
     C             2.04871             0.36127             4.49739
     C             1.02216             0.76673             3.45491
     C             1.27201             5.71675             5.36689
     C             2.23180             5.22071             6.36990
     C             1.90780             3.86141             6.73063
     C             0.78355             3.40244             5.94241
     C             0.33097             4.55193             5.12959
     C             5.50209             6.15897             4.91444
     C             5.91281             5.08583             5.83033
     C             4.74667             4.75433             6.69176
     C             3.62761             5.63478             6.29190
     C             4.10112             6.45688             5.21610
     C             7.31156             2.64135             3.24113
     C             6.52735             1.83127             4.32141
     C             6.23114             2.66283             5.45070
     C             6.63477             4.01645             5.23827
     C             7.47163             4.17447             3.87491
     C             9.13025             4.34588             3.84344
     C             8.87775             2.92683             3.21965
     C            10.35384             4.95490             3.80670
     H            10.52512             5.82171             4.41505
     C            11.37849             4.33193             3.07886
     H            12.38093             4.69985             3.12550
     C            11.20100             3.11607             2.45894
     H            12.01529             2.67792             1.83581
     C            10.02768             2.37373             2.65147
     H             9.98747             1.33536             2.15889
           70
 Energy:   -462.1988632300269    
     C             3.96689             4.01108            -0.02008
     C             2.55449             3.58190            -0.04855
     C             1.73165             4.69097             0.50897
     C             2.60629             5.78844             0.86301
     C             4.03747             5.37438             0.57817
     C             5.75404             1.31413             1.69308
     C             4.76746             1.74323             0.62970
     C             5.08718             3.12708             0.26566
     C             6.29566             3.54765             1.08370
     C             6.68490             2.42475             1.91290
     C             1.51902             0.78165             2.10041
     C             1.13746             1.94705             1.23021
     C             2.22186             2.22790             0.29518
     C             3.37083             1.37278             0.65798
     C             2.93952             0.50594             1.77188
     C            -0.04660             4.38173             3.79394
     C             0.32388             5.29284             2.65217
     C             0.58723             4.45172             1.42337
     C             0.29092             3.03583             1.79237
     C            -0.08031             2.98455             3.21285
     C             3.18507             6.91025             4.27292
     C             3.60365             6.90204             2.92502
     C             2.44779             6.62108             2.04059
     C             1.31775             6.35305             2.95270
     C             1.73806             6.58922             4.35285
     C             6.78933             5.15667             2.97596
     C             6.30053             4.84156             1.64642
     C             5.18551             5.74327             1.32380
     C             4.93413             6.47736             2.54113
     C             5.87355             6.11576             3.56236
     C             4.28390             1.25167             6.05118
     C             2.91163             1.58284             6.43430
     C             2.99193             2.94191             7.00434
     C             4.36907             3.40406             6.92124
     C             5.18452             2.35680             6.31638
     C             3.86806             0.06429             2.75769
     C             3.36293             0.09142             4.09943
     C             4.50450             0.46435             4.91488
     C             5.70269             0.72932             4.06474
     C             5.30803             0.41350             2.71696
     C             0.28742             1.86398             3.99383
     C             0.66778             2.12586             5.38452
     C             1.73382             1.13125             5.69768
     C             2.01783             0.33008             4.47467
     C             1.06039             0.72166             3.46078
     C             1.24787             5.73064             5.44310
     C             2.24815             5.24683             6.40090
     C             1.90862             3.83430             6.66467
     C             0.73261             3.45536             5.89530
     C             0.34058             4.61556             5.14220
     C             5.47570             6.15360             4.93848
     C             5.92887             5.07141             5.84669
     C             4.72700             4.74643             6.65705
     C             3.61764             5.59923             6.31731
     C             4.08652             6.47201             5.24366
     C             7.32406             2.57959             3.28986
     C             6.55285             1.85257             4.32474
     C             6.26275             2.67190             5.41825
     C             6.68025             4.01589             5.23215
     C             7.48680             4.18584             3.90237
     C             9.08676             4.35649             3.82351
     C             8.93623             2.98856             3.27140
     C            10.31609             4.98230             3.76278
     H            10.52665             5.97740             4.13871
     C            11.31461             4.30797             3.06875
     H            12.20835             4.82050             2.93290
     C            11.11966             3.02767             2.51167
     H            11.94930             2.56098             1.99183
     C             9.95392             2.32131             2.64831
     H             9.85863             1.28904             2.21337
           70
 Energy:   -461.8919764556420    
     C             3.98697             4.04661            -0.01519
     C             2.58659             3.61496             0.00318
     C             1.71706             4.66018             0.57718
     C             2.63664             5.84293             0.92085
     C             4.01636             5.39529             0.50056
     C             5.70833             1.36475             1.67761
     C             4.73407             1.81469             0.67815
     C             5.08238             3.18488             0.28783
     C             6.21667             3.54507             1.09678
     C             6.68794             2.44333             1.90605
     C             1.53624             0.74655             2.05185
     C             1.13951             1.95121             1.21893
     C             2.27085             2.25519             0.24132
     C             3.36841             1.40026             0.63170
     C             2.95116             0.55102             1.70333
     C            -0.04482             4.37825             3.68952
     C             0.39969             5.29739             2.62534
     C             0.60806             4.44315             1.43554
     C             0.36093             3.02355             1.75759
     C            -0.05194             2.96318             3.17907
     C             3.13473             6.90229             4.32963
     C             3.60676             6.90644             2.89777
     C             2.41193             6.62958             2.10604
     C             1.27633             6.33543             2.98692
     C             1.72811             6.56101             4.37017
     C             6.73793             5.13638             2.97563
     C             6.28282             4.86794             1.60609
     C             5.15108             5.75072             1.33502
     C             4.88649             6.49971             2.56974
     C             5.84040             6.05567             3.58424
     C             4.26280             1.25043             6.01961
     C             2.89839             1.56486             6.51131
     C             2.98615             2.92300             7.02294
     C             4.41414             3.36145             6.95791
     C             5.16717             2.35981             6.28136
     C             3.87451             0.02765             2.62828
     C             3.36963            -0.00736             4.06015
     C             4.51768             0.45220             4.88966
     C             5.69226             0.71305             4.07875
     C             5.29644             0.41458             2.66694
     C             0.25944             1.80697             4.01069
     C             0.68740             2.07489             5.43150
     C             1.77051             1.12083             5.74651
     C             1.99266             0.30555             4.50331
     C             1.09541             0.75000             3.42847
     C             1.26337             5.78187             5.44822
     C             2.25135             5.23252             6.41626
     C             1.95271             3.82635             6.68702
     C             0.73350             3.47557             5.89445
     C             0.33387             4.68989             5.06891
     C             5.47292             6.13481             4.94714
     C             5.88679             5.02533             5.78333
     C             4.71176             4.70696             6.65419
     C             3.62805             5.64162             6.34280
     C             4.08728             6.51624             5.31737
     C             7.40340             2.59088             3.26876
     C             6.57010             1.78275             4.37181
     C             6.25930             2.68942             5.46115
     C             6.75738             4.03307             5.27181
     C             7.43593             4.18719             3.90093
     C             9.06007             4.35794             3.79399
     C             8.87473             2.96091             3.30351
     C            10.24503             4.96672             3.71421
     H            10.36017             6.03520             3.88376
     C            11.26804             4.27529             3.04792
     H            12.12587             4.78324             2.72943
     C            11.11576             2.96684             2.58043
     H            11.94100             2.49379             2.10083
     C             9.88444             2.30891             2.65707
     H             9.65790             1.31332             2.32637
           70
 Energy:   -462.4056840400262    
     C             3.97824             4.10609            -0.01631
     C             2.57611             3.66202             0.03083
     C             1.80774             4.74719             0.64365
     C             2.67425             5.81323             0.92855
     C             4.01537             5.48315             0.49778
     C             5.70036             1.39831             1.64427
     C             4.71946             1.87030             0.68948
     C             5.02591             3.19803             0.32554
     C             6.22098             3.59585             1.11279
     C             6.64288             2.43074             1.91850
     C             1.55818             0.87030             2.01470
     C             1.14143             1.94276             1.14708
     C             2.27729             2.28335             0.30107
     C             3.40990             1.39647             0.61902
     C             2.93668             0.45530             1.62088
     C            -0.04080             4.35883             3.65786
     C             0.45444             5.20164             2.60337
     C             0.67420             4.39084             1.42256
     C             0.42007             3.00663             1.77797
     C            -0.02876             2.98148             3.16825
     C             3.16312             6.93632             4.32811
     C             3.51491             6.96520             2.95860
     C             2.41097             6.57313             2.10114
     C             1.25872             6.35447             2.99390
     C             1.74177             6.56676             4.36023
     C             6.65457             5.09363             2.97468
     C             6.27244             4.91637             1.61588
     C             5.09046             5.78862             1.34617
     C             4.84565             6.52993             2.57793
     C             5.80291             6.09069             3.56225
     C             4.24803             1.20160             6.01141
     C             2.93771             1.53158             6.53500
     C             2.98863             2.93016             7.05210
     C             4.37909             3.35841             7.00504
     C             5.14107             2.31678             6.27978
     C             3.83967            -0.01010             2.64155
     C             3.41891            -0.09840             4.04857
     C             4.49711             0.40158             4.87040
     C             5.67328             0.70458             4.02519
     C             5.27350             0.48794             2.63253
     C             0.25027             1.85868             4.01247
     C             0.68707             2.07083             5.41419
     C             1.81952             1.10611             5.72405
     C             2.10785             0.28190             4.49831
     C             1.10906             0.77073             3.42178
     C             1.26999             5.74077             5.43066
     C             2.26069             5.24770             6.40668
     C             1.92860             3.86794             6.71194
     C             0.79468             3.43678             5.88319
     C             0.35219             4.60723             5.02421
     C             5.44004             6.11949             4.93193
     C             5.82796             4.98827             5.76812
     C             4.73331             4.69371             6.66150
     C             3.63542             5.65269             6.43051
     C             4.11092             6.58279             5.34192
     C             7.29409             2.56457             3.24890
     C             6.62777             1.78093             4.38770
     C             6.31486             2.63714             5.49154
     C             6.73159             3.99746             5.30643
     C             7.38762             4.16255             3.87567
     C             8.99389             4.30678             3.78312
     C             8.83431             2.92968             3.29752
     C            10.20863             4.95416             3.61275
     H            10.27911             6.02283             3.87244
     C            11.23549             4.24442             3.01325
     H            12.15144             4.79009             2.78853
     C            11.10826             2.90530             2.64029
     H            11.92002             2.37905             2.21398
     C             9.88356             2.28941             2.70346
     H             9.81664             1.36968             2.22325
           70
 Energy:   -462.6347639402419    
     C             3.96681             4.15875            -0.03956
     C             2.59740             3.68547             0.03770
     C             1.82525             4.72433             0.61120
     C             2.70079             5.87094             0.94836
     C             4.03694             5.51698             0.50974
     C             5.67955             1.38601             1.61892
     C             4.72202             1.84799             0.64847
     C             5.02318             3.28210             0.35092
     C             6.23011             3.62171             1.10907
     C             6.58050             2.47816             1.89678
     C             1.58203             0.88156             2.06177
     C             1.16249             1.97159             1.14790
     C             2.31336             2.34370             0.32454
     C             3.36776             1.36891             0.59881
     C             2.89515             0.35730             1.63386
     C            -0.01217             4.30745             3.72136
     C             0.44952             5.20463             2.63375
     C             0.77405             4.38466             1.44826
     C             0.41792             2.99654             1.76347
     C            -0.03665             2.96401             3.16492
     C             3.13827             6.99905             4.36303
     C             3.54968             7.00950             2.93092
     C             2.42432             6.58882             2.11564
     C             1.27989             6.29995             2.93503
     C             1.72250             6.58407             4.38007
     C             6.59441             5.13688             3.01048
     C             6.19783             4.94628             1.63258
     C             5.12275             5.87506             1.36729
     C             4.79904             6.58819             2.57206
     C             5.76236             6.15288             3.56625
     C             4.28477             1.15619             6.03181
     C             2.91703             1.53508             6.48908
     C             2.95256             2.90680             7.07619
     C             4.38268             3.34454             6.96768
     C             5.17110             2.28608             6.33023
     C             3.85595            -0.03412             2.66002
     C             3.43168            -0.12536             4.05761
     C             4.56139             0.34866             4.87556
     C             5.68679             0.76228             4.00589
     C             5.18919             0.52119             2.63377
     C             0.33751             1.86848             3.99411
     C             0.75718             2.06767             5.37462
     C             1.82894             1.11347             5.65627
     C             2.10734             0.32905             4.40920
     C             1.18015             0.79846             3.41638
     C             1.27277             5.64437             5.35818
     C             2.25162             5.26687             6.41300
     C             1.92750             3.83986             6.73774
     C             0.83512             3.39625             5.85895
     C             0.43595             4.49387             5.05987
     C             5.41791             6.10396             4.93015
     C             5.81855             4.97329             5.76418
     C             4.69851             4.71163             6.71138
     C             3.64705             5.70285             6.45353
     C             4.08727             6.58229             5.36940
     C             7.20166             2.56517             3.26729
     C             6.58108             1.72665             4.35746
     C             6.33315             2.53563             5.53904
     C             6.64539             3.93538             5.26117
     C             7.33516             4.10997             3.87665
     C             8.96967             4.27417             3.74843
     C             8.77260             2.87391             3.25676
     C            10.13081             4.91970             3.53659
     H            10.33950             5.95395             3.84930
     C            11.22795             4.23072             2.99327
     H            12.24622             4.72210             2.94072
     C            11.12885             2.89696             2.68524
     H            11.99654             2.35889             2.36010
     C             9.89710             2.22083             2.73950
     H             9.75505             1.29696             2.26366
           70
 Energy:   -462.5107900422561    
     C             4.03868             4.19480            -0.03454
     C             2.67049             3.69516            -0.01008
     C             1.79977             4.76021             0.58396
     C             2.67132             5.90003             0.90352
     C             4.05291             5.54160             0.50961
     C             5.63678             1.39860             1.60379
     C             4.68515             1.85215             0.55085
     C             5.02698             3.25519             0.29111
     C             6.14558             3.66265             1.11622
     C             6.54515             2.49011             1.91290
     C             1.57378             0.80589             2.02455
     C             1.21919             1.98467             1.25535
     C             2.32026             2.31438             0.33493
     C             3.36511             1.31219             0.60008
     C             2.91374             0.39282             1.64969
     C             0.01882             4.26931             3.72933
     C             0.44280             5.20162             2.69262
     C             0.75813             4.40519             1.53266
     C             0.37554             3.03805             1.75536
     C            -0.05404             2.90788             3.15099
     C             3.09674             7.06070             4.37303
     C             3.53207             7.07748             2.96519
     C             2.44410             6.66163             2.11041
     C             1.33120             6.29973             2.99545
     C             1.66312             6.54751             4.33511
     C             6.59046             5.17773             3.05263
     C             6.18972             4.95333             1.69733
     C             5.14052             5.94113             1.31942
     C             4.87591             6.68539             2.57121
     C             5.74249             6.19641             3.61542
     C             4.30907             1.13505             6.08074
     C             2.92458             1.52073             6.41689
     C             2.99251             2.85092             7.03959
     C             4.35903             3.32878             6.95015
     C             5.20497             2.23833             6.40838
     C             3.82801            -0.04935             2.64459
     C             3.42525            -0.09773             4.08267
     C             4.59415             0.32732             4.93136
     C             5.59853             0.71131             3.98208
     C             5.18914             0.53931             2.63507
     C             0.42098             1.84895             3.94731
     C             0.82996             2.05396             5.32113
     C             1.87090             1.10777             5.58907
     C             2.11636             0.36007             4.40436
     C             1.21893             0.84846             3.37824
     C             1.33918             5.59927             5.34365
     C             2.23786             5.21829             6.43995
     C             1.95500             3.80742             6.77066
     C             0.88355             3.34270             5.91719
     C             0.49120             4.46359             5.03921
     C             5.37733             6.12067             4.97194
     C             5.79320             4.94500             5.77620
     C             4.68591             4.72014             6.72085
     C             3.57713             5.72023             6.45246
     C             4.05181             6.56760             5.35344
     C             7.20214             2.56675             3.23787
     C             6.53454             1.72915             4.36112
     C             6.30892             2.51140             5.51905
     C             6.57336             3.87368             5.23768
     C             7.29404             4.10669             3.85902
     C             8.91375             4.22823             3.66198
     C             8.72196             2.82988             3.21751
     C            10.11809             4.89537             3.50601
     H            10.11959             5.97242             3.75095
     C            11.21326             4.22458             3.02952
     H            12.22875             4.75956             2.97428
     C            11.11385             2.85474             2.71169
     H            12.04843             2.32544             2.46461
     C             9.86585             2.18537             2.77259
     H             9.82877             1.13510             2.48950
           70
 Energy:   -462.1095449783424    
     C             4.03923             4.19813            -0.04036
     C             2.62727             3.68491            -0.01112
     C             1.79424             4.77491             0.59435
     C             2.65586             5.94170             0.87409
     C             4.04220             5.58685             0.50691
     C             5.58531             1.42926             1.58407
     C             4.72585             1.81651             0.51435
     C             5.05896             3.21494             0.18276
     C             6.08517             3.63296             1.18686
     C             6.47112             2.49035             1.89486
     C             1.56425             0.78398             1.96852
     C             1.23547             2.02470             1.26886
     C             2.32125             2.29474             0.34665
     C             3.40023             1.33581             0.56153
     C             2.94737             0.43091             1.62395
     C             0.00895             4.24361             3.73223
     C             0.50193             5.19120             2.73888
     C             0.71161             4.46217             1.47344
     C             0.38503             3.01495             1.77876
     C            -0.08208             2.94639             3.14265
     C             3.06639             7.07270             4.36563
     C             3.57109             7.17389             2.97700
     C             2.41590             6.69099             2.08077
     C             1.29938             6.30584             2.97330
     C             1.76369             6.53199             4.39992
     C             6.58268             5.19800             3.08432
     C             6.18438             4.97512             1.71142
     C             5.17235             5.99491             1.34866
     C             4.89945             6.82834             2.59490
     C             5.79329             6.22421             3.65106
     C             4.34224             1.07687             6.12537
     C             3.01703             1.50073             6.41466
     C             3.02962             2.83340             6.96568
     C             4.39804             3.31591             6.99506
     C             5.22654             2.21391             6.46042
     C             3.82765            -0.01412             2.67488
     C             3.44106            -0.09228             4.07570
     C             4.49776             0.30606             4.93257
     C             5.64372             0.69483             4.03043
     C             5.17285             0.49619             2.60265
     C             0.41167             1.87084             3.92334
     C             0.85469             2.05369             5.30571
     C             1.92956             1.10901             5.59276
     C             2.15286             0.31720             4.39411
     C             1.25873             0.76024             3.35400
     C             1.37239             5.57580             5.38798
     C             2.23670             5.15664             6.47235
     C             1.98345             3.75247             6.80920
     C             0.87238             3.33120             5.91435
     C             0.52324             4.43790             5.05569
     C             5.35631             6.13317             5.00395
     C             5.73099             4.95613             5.77569
     C             4.63562             4.67602             6.69888
     C             3.56887             5.64261             6.45596
     C             3.95934             6.57326             5.35750
     C             7.17268             2.51015             3.21856
     C             6.49556             1.72295             4.31439
     C             6.22292             2.53915             5.48085
     C             6.55070             3.92683             5.24275
     C             7.28701             4.12829             3.85536
     C             8.88589             4.21171             3.57421
     C             8.72515             2.83319             3.18007
     C            10.03978             4.87548             3.50891
     H            10.11450             5.96537             3.62742
     C            11.19117             4.16303             3.08184
     H            12.14767             4.74636             2.90324
     C            11.05076             2.83734             2.75746
     H            11.93305             2.21206             2.46609
     C             9.86254             2.15339             2.81854
     H             9.87407             1.03876             2.69676
           70
 Energy:   -461.7469461137340    
     C             3.95428             4.17551            -0.07041
     C             2.57458             3.72020             0.05174
     C             1.79044             4.77945             0.59289
     C             2.66657             5.96087             0.89382
     C             4.05885             5.59385             0.52166
     C             5.58132             1.35545             1.61847
     C             4.76962             1.79422             0.45762
     C             5.08605             3.26808             0.15991
     C             6.06147             3.65939             1.17846
     C             6.42048             2.45891             1.95932
     C             1.60386             0.82305             1.98482
     C             1.21758             1.99998             1.18187
     C             2.34294             2.37383             0.31634
     C             3.39331             1.38239             0.51882
     C             2.96670             0.41387             1.58495
     C             0.02769             4.31485             3.76840
     C             0.51327             5.17944             2.68789
     C             0.66428             4.43851             1.41879
     C             0.40968             3.07003             1.74505
     C            -0.06914             2.94590             3.16072
     C             3.15491             7.05963             4.37540
     C             3.51869             7.24358             2.92169
     C             2.43064             6.74091             2.09784
     C             1.32630             6.34422             3.03492
     C             1.76419             6.48755             4.39235
     C             6.57310             5.19186             3.05341
     C             6.13338             4.98063             1.70976
     C             5.13621             6.04015             1.41049
     C             4.94670             6.87999             2.62383
     C             5.81207             6.31530             3.65875
     C             4.40782             1.01726             6.14942
     C             3.01929             1.46963             6.46476
     C             3.06598             2.82669             6.96849
     C             4.44904             3.25455             7.04916
     C             5.27370             2.19026             6.43922
     C             3.83213             0.04224             2.64115
     C             3.42615            -0.13923             4.02372
     C             4.56684             0.31524             4.89435
     C             5.64516             0.62516             4.02149
     C             5.22730             0.46740             2.64711
     C             0.40957             1.79506             3.92272
     C             0.86641             2.02712             5.32059
     C             1.95721             1.10607             5.59590
     C             2.12057             0.25448             4.41287
     C             1.17368             0.69848             3.36094
     C             1.35816             5.56570             5.42899
     C             2.24820             5.11774             6.52682
     C             1.93086             3.69992             6.77384
     C             0.85641             3.31735             5.90355
     C             0.49263             4.45477             5.08141
     C             5.30905             6.17321             4.99256
     C             5.69529             4.97931             5.76472
     C             4.63521             4.62346             6.66283
     C             3.56888             5.57327             6.44722
     C             3.98578             6.53964             5.42878
     C             7.15760             2.54851             3.21742
     C             6.47422             1.76948             4.34077
     C             6.18013             2.61060             5.42742
     C             6.55246             3.98089             5.22955
     C             7.28424             4.10414             3.85269
     C             8.83714             4.23583             3.56116
     C             8.67453             2.80777             3.14053
     C            10.03466             4.86579             3.47543
     H            10.16060             5.92267             3.70308
     C            11.11412             4.13845             3.12843
     H            12.09155             4.60732             2.99306
     C            11.03343             2.78811             2.80864
     H            11.99663             2.32940             2.41947
     C             9.82653             2.09953             2.89930
     H             9.71535             0.98220             2.69580
           70
 Energy:   -462.0255052631541    
     C             3.98585             4.22820            -0.04614
     C             2.59890             3.78052             0.06489
     C             1.75465             4.86542             0.61753
     C             2.65302             5.94836             0.96314
     C             4.03459             5.56693             0.54801
     C             5.65341             1.34593             1.57963
     C             4.77287             1.81420             0.43632
     C             5.00814             3.26605             0.20639
     C             6.08155             3.65859             1.17230
     C             6.39548             2.51590             1.96289
     C             1.61826             0.86044             2.00407
     C             1.18129             1.99560             1.13645
     C             2.31621             2.38053             0.29948
     C             3.39958             1.39490             0.48225
     C             2.95742             0.47705             1.54379
     C             0.06088             4.31806             3.70496
     C             0.48897             5.27850             2.64181
     C             0.68396             4.47382             1.45454
     C             0.38697             3.01175             1.72232
     C             0.03718             2.92105             3.16837
     C             3.14442             7.00335             4.41016
     C             3.59254             7.25473             2.97723
     C             2.41412             6.76987             2.12602
     C             1.36174             6.30845             2.99923
     C             1.78996             6.47211             4.41917
     C             6.55212             5.23018             3.06063
     C             6.05731             4.99902             1.73282
     C             5.06881             5.99445             1.40285
     C             4.88300             6.88647             2.58361
     C             5.82833             6.35191             3.65399
     C             4.41726             1.00742             6.11900
     C             3.02693             1.39939             6.49039
     C             3.03968             2.77170             7.06889
     C             4.45177             3.22268             7.03746
     C             5.28658             2.18756             6.41166
     C             3.87281             0.01125             2.59475
     C             3.43602            -0.13486             4.04036
     C             4.60439             0.25189             4.89733
     C             5.73614             0.66497             4.00578
     C             5.25381             0.44221             2.62808
     C             0.34620             1.78559             3.96617
     C             0.85110             1.98615             5.29662
     C             1.94324             1.05410             5.59004
     C             2.07400             0.18437             4.41086
     C             1.11793             0.66917             3.35691
     C             1.33751             5.59802             5.46873
     C             2.20283             5.10051             6.51709
     C             1.97202             3.67232             6.75951
     C             0.82495             3.27972             5.88350
     C             0.42355             4.49730             5.11694
     C             5.36919             6.16671             4.99905
     C             5.77350             4.98869             5.70293
     C             4.70031             4.57734             6.66087
     C             3.57918             5.54458             6.46847
     C             4.03310             6.54107             5.43366
     C             7.09127             2.57321             3.25828
     C             6.45967             1.78726             4.34078
     C             6.20619             2.64998             5.44902
     C             6.56378             3.98598             5.17077
     C             7.24353             4.16136             3.82741
     C             8.82931             4.24015             3.57999
     C             8.63847             2.84491             3.17604
     C            10.00138             4.89186             3.48191
     H            10.09223             5.92372             3.80044
     C            11.11308             4.08786             3.12872
     H            12.05350             4.55577             3.20818
     C            11.00971             2.71674             2.86525
     H            11.88361             2.12001             2.48362
     C             9.77754             2.06357             2.94936
     H             9.79192             0.96272             2.67274
           70
 Energy:   -462.0231302992482    
     C             3.99064             4.25859             0.01880
     C             2.58449             3.78247             0.02128
     C             1.78004             4.86235             0.62113
     C             2.66003             5.98513             0.99889
     C             3.95413             5.60939             0.59683
     C             5.69217             1.41532             1.49139
     C             4.74063             1.83414             0.48275
     C             4.99438             3.27132             0.28822
     C             6.02363             3.68825             1.17233
     C             6.44772             2.54793             1.92542
     C             1.57740             0.87574             1.98253
     C             1.17397             1.99724             1.16245
     C             2.29583             2.39434             0.25337
     C             3.38383             1.40291             0.48031
     C             2.98816             0.51749             1.62153
     C             0.08959             4.29308             3.71102
     C             0.41826             5.25466             2.69063
     C             0.68368             4.48335             1.45711
     C             0.37557             3.04687             1.74334
     C             0.10950             2.96406             3.15064
     C             3.14095             6.98076             4.43820
     C             3.53559             7.19745             3.06250
     C             2.47316             6.77561             2.16804
     C             1.36595             6.32207             3.03890
     C             1.78853             6.44756             4.42100
     C             6.53257             5.29163             3.03055
     C             6.04594             4.95877             1.74747
     C             5.03235             5.95168             1.40519
     C             4.88975             6.82957             2.58159
     C             5.79257             6.35441             3.60263
     C             4.38822             1.03460             6.06311
     C             3.00559             1.33721             6.46672
     C             3.03051             2.68305             7.13283
     C             4.41428             3.22758             7.00356
     C             5.22472             2.18828             6.39422
     C             3.86665            -0.03535             2.60643
     C             3.47068            -0.12504             4.00950
     C             4.62026             0.22034             4.89212
     C             5.70307             0.65380             3.99782
     C             5.30874             0.46509             2.51624
     C             0.32562             1.76852             3.94904
     C             0.82271             1.97093             5.34099
     C             1.89119             0.98263             5.60568
     C             2.09919             0.16552             4.37079
     C             1.13600             0.67171             3.34285
     C             1.26832             5.61165             5.47049
     C             2.27386             5.10272             6.49039
     C             1.97526             3.65899             6.74532
     C             0.83718             3.29670             5.87958
     C             0.37591             4.48418             5.08211
     C             5.45590             6.19664             5.00009
     C             5.82313             4.96048             5.74058
     C             4.74857             4.60764             6.64565
     C             3.63264             5.54880             6.46595
     C             4.05082             6.51659             5.42346
     C             7.07546             2.63763             3.23604
     C             6.48305             1.80509             4.34462
     C             6.28130             2.58649             5.47766
     C             6.59941             3.95318             5.16828
     C             7.25071             4.23018             3.77187
     C             8.81713             4.27240             3.60514
     C             8.61862             2.83670             3.27375
     C            10.03373             4.84637             3.51348
     H            10.17333             5.90012             3.68476
     C            11.12046             4.06241             3.16316
     H            12.09952             4.42161             3.17892
     C            10.96151             2.68277             2.91354
     H            11.84578             2.06309             2.75668
     C             9.70507             2.09390             2.95748
     H             9.53975             1.01308             2.82752
           70
 Energy:   -462.4519616766274    
     C             3.90886             4.23758             0.05534
     C             2.56167             3.78346            -0.01731
     C             1.76320             4.83026             0.63728
     C             2.59612             6.00492             0.98300
     C             3.98660             5.61218             0.58952
     C             5.69640             1.40534             1.50131
     C             4.70451             1.90895             0.49841
     C             4.93924             3.33357             0.30367
     C             6.02318             3.69569             1.21397
     C             6.52397             2.54029             1.83748
     C             1.59168             0.84894             1.97896
     C             1.18142             2.06142             1.15718
     C             2.27027             2.36645             0.24053
     C             3.36245             1.41067             0.56307
     C             2.94495             0.53666             1.66125
     C             0.06422             4.26833             3.76607
     C             0.45815             5.24380             2.71666
     C             0.64733             4.49997             1.44784
     C             0.44565             3.10723             1.74323
     C             0.07937             2.94333             3.17856
     C             3.14494             6.96179             4.46830
     C             3.56448             7.12174             3.04477
     C             2.41307             6.71453             2.22535
     C             1.29622             6.32678             3.07252
     C             1.74122             6.44750             4.46515
     C             6.58478             5.28416             2.99749
     C             6.04478             5.00213             1.71878
     C             5.05302             5.98708             1.46156
     C             4.81796             6.80299             2.64554
     C             5.79990             6.32590             3.62531
     C             4.34035             1.03226             6.00183
     C             2.96176             1.32751             6.44708
     C             2.98521             2.70786             7.06386
     C             4.38908             3.24579             6.97190
     C             5.21571             2.19207             6.32459
     C             3.92629             0.01357             2.57302
     C             3.48737            -0.15387             3.99035
     C             4.59751             0.27029             4.81660
     C             5.69946             0.66416             3.91353
     C             5.30583             0.47149             2.52512
     C             0.40023             1.78572             3.92713
     C             0.77901             1.93948             5.35586
     C             1.85297             0.92517             5.61887
     C             2.14612             0.22764             4.34232
     C             1.18157             0.70928             3.33073
     C             1.28355             5.57319             5.48030
     C             2.31574             5.08081             6.44150
     C             1.97941             3.66090             6.74291
     C             0.85854             3.28841             5.88091
     C             0.44145             4.44026             5.13283
     C             5.46645             6.21350             5.00536
     C             5.86534             4.97486             5.79252
     C             4.71862             4.59384             6.67438
     C             3.68538             5.56265             6.41752
     C             4.11363             6.50133             5.41925
     C             7.08372             2.66381             3.20977
     C             6.49962             1.73876             4.28213
     C             6.31930             2.54148             5.49469
     C             6.65147             3.92983             5.24386
     C             7.23965             4.26428             3.79850
     C             8.85607             4.31055             3.64078
     C             8.60772             2.88389             3.35336
     C            10.10429             4.81694             3.54485
     H            10.28083             5.87821             3.60032
     C            11.14528             3.99281             3.21234
     H            12.09868             4.44041             3.04649
     C            10.91457             2.66622             2.97482
     H            11.75493             2.03510             2.90580
     C             9.64723             2.09830             2.98317
     H             9.55407             1.04820             2.78554
           70
 Energy:   -462.4757233738182    
     C             3.90202             4.27306             0.02300
     C             2.49009             3.75812             0.01306
     C             1.68592             4.85274             0.60290
     C             2.58406             5.96666             0.96500
     C             3.94279             5.61009             0.59172
     C             5.67850             1.39709             1.50170
     C             4.68737             1.91252             0.54697
     C             4.93240             3.34264             0.33771
     C             6.04926             3.73663             1.16948
     C             6.57163             2.50385             1.82225
     C             1.56661             0.89297             1.96908
     C             1.19096             2.02585             1.17073
     C             2.28105             2.37204             0.25642
     C             3.36989             1.47475             0.60127
     C             2.95681             0.52285             1.60203
     C             0.03959             4.27925             3.79073
     C             0.46144             5.21827             2.75212
     C             0.64076             4.52219             1.51048
     C             0.45490             3.08054             1.79842
     C             0.02694             2.93154             3.15561
     C             3.12264             6.93685             4.45916
     C             3.45684             7.06971             3.07185
     C             2.33498             6.65399             2.20579
     C             1.25436             6.33034             3.12972
     C             1.72718             6.51191             4.52121
     C             6.61076             5.28925             3.03539
     C             6.11364             5.06937             1.70528
     C             5.01854             6.02880             1.41852
     C             4.86597             6.75646             2.69465
     C             5.85010             6.29441             3.67586
     C             4.31708             1.04941             5.95349
     C             2.94815             1.38135             6.43609
     C             3.01602             2.74819             6.94086
     C             4.38428             3.19100             6.91889
     C             5.18593             2.17874             6.27485
     C             3.88700             0.04577             2.53895
     C             3.47628            -0.14938             3.91857
     C             4.60159             0.33903             4.74948
     C             5.72230             0.68557             3.89360
     C             5.27696             0.49496             2.52418
     C             0.45432             1.81758             3.93951
     C             0.77889             1.90373             5.33658
     C             1.84419             0.93685             5.61854
     C             2.16578             0.26115             4.33787
     C             1.24650             0.76815             3.34552
     C             1.38647             5.52006             5.49848
     C             2.32548             5.05362             6.42828
     C             1.98268             3.68348             6.73330
     C             0.86902             3.19704             5.92128
     C             0.48791             4.41479             5.14661
     C             5.49789             6.13229             5.05154
     C             5.88342             4.98020             5.85225
     C             4.73850             4.59453             6.68130
     C             3.63109             5.53413             6.39920
     C             4.10632             6.53545             5.40633
     C             7.12379             2.63887             3.20765
     C             6.53549             1.77480             4.24804
     C             6.31969             2.51100             5.42318
     C             6.68741             3.95075             5.29002
     C             7.25156             4.21217             3.88746
     C             8.90137             4.33085             3.71742
     C             8.64040             2.91381             3.34094
     C            10.15308             4.85099             3.57649
     H            10.36434             5.91433             3.69937
     C            11.19017             3.95668             3.23709
     H            12.22258             4.32471             3.04387
     C            10.92366             2.58541             3.04731
     H            11.70180             1.93748             2.78734
     C             9.64724             2.07208             3.03230
     H             9.48995             1.09829             2.66081
           70
 Energy:   -462.2963276631221    
     C             3.88648             4.24935            -0.01665
     C             2.49484             3.80039             0.02959
     C             1.62758             4.87431             0.56831
     C             2.52265             5.94455             0.98951
     C             3.88608             5.61858             0.60184
     C             5.70135             1.44566             1.49071
     C             4.71622             1.94100             0.58973
     C             4.94764             3.34114             0.34805
     C             6.14006             3.74623             1.13488
     C             6.56227             2.55167             1.84818
     C             1.61885             0.87053             1.97203
     C             1.14889             2.02419             1.17733
     C             2.25435             2.41420             0.32231
     C             3.37430             1.50245             0.54117
     C             2.92080             0.51421             1.51605
     C             0.01469             4.24133             3.80559
     C             0.38807             5.22456             2.83591
     C             0.66319             4.45585             1.56197
     C             0.40241             3.05129             1.78825
     C            -0.00917             2.95112             3.21431
     C             3.09405             6.96290             4.45727
     C             3.49327             7.01207             3.03738
     C             2.32905             6.64750             2.21175
     C             1.22210             6.32749             3.17556
     C             1.71083             6.53040             4.54258
     C             6.63850             5.24005             3.08890
     C             6.19613             5.07354             1.68365
     C             5.04727             6.01523             1.40098
     C             4.79777             6.75753             2.72826
     C             5.84695             6.27603             3.70997
     C             4.31222             1.06444             5.91167
     C             2.98628             1.40756             6.36102
     C             3.07337             2.75227             6.90001
     C             4.44677             3.22397             6.84009
     C             5.21646             2.15721             6.21975
     C             3.85106             0.02163             2.49915
     C             3.47448            -0.06373             3.91088
     C             4.57885             0.33771             4.73794
     C             5.71591             0.71994             3.88503
     C             5.25327             0.51690             2.47572
     C             0.42884             1.82963             3.94061
     C             0.80680             1.91023             5.35877
     C             1.89004             0.96107             5.60240
     C             2.16333             0.23968             4.35522
     C             1.28085             0.83355             3.32611
     C             1.38240             5.50117             5.44446
     C             2.31450             5.00983             6.47839
     C             2.00819             3.61831             6.75093
     C             0.84055             3.22636             5.95385
     C             0.49249             4.37754             5.11310
     C             5.47825             6.11671             5.08182
     C             5.89139             4.92881             5.90646
     C             4.72813             4.57064             6.69019
     C             3.66404             5.50697             6.42733
     C             4.07285             6.47712             5.42907
     C             7.21161             2.66354             3.16863
     C             6.55285             1.79736             4.24181
     C             6.26596             2.58088             5.42475
     C             6.66845             3.91473             5.30576
     C             7.31235             4.19262             3.90374
     C             8.94417             4.32006             3.78576
     C             8.70399             2.92434             3.29667
     C            10.21568             4.83130             3.62851
     H            10.46271             5.88966             3.80280
     C            11.20560             3.91292             3.26682
     H            12.28547             4.27336             3.20255
     C            11.00276             2.53143             3.09174
     H            11.82720             1.94680             2.75537
     C             9.70694             2.02226             3.05508
     H             9.42351             1.05659             2.72626
           70
 Energy:   -462.6434959892120    
     C             3.88779             4.27099             0.03240
     C             2.48860             3.81895            -0.00215
     C             1.62849             4.83048             0.63313
     C             2.47722             5.98494             1.01188
     C             3.93112             5.59512             0.61232
     C             5.72200             1.50707             1.52917
     C             4.69738             1.99252             0.54359
     C             4.99551             3.41957             0.30413
     C             6.18150             3.75645             1.10504
     C             6.58430             2.61535             1.85737
     C             1.59912             0.87330             1.93721
     C             1.13078             2.02798             1.19574
     C             2.23638             2.47925             0.33534
     C             3.35021             1.48691             0.48034
     C             2.95924             0.47078             1.47042
     C            -0.04284             4.22880             3.84471
     C             0.35517             5.21610             2.80250
     C             0.63366             4.46836             1.57462
     C             0.30418             3.03549             1.83807
     C            -0.04378             2.89519             3.21221
     C             3.13148             6.96948             4.49254
     C             3.47561             7.01434             3.07119
     C             2.31135             6.65090             2.28152
     C             1.20908             6.34013             3.13238
     C             1.69404             6.48973             4.51465
     C             6.62681             5.24708             3.06589
     C             6.23006             5.05509             1.70501
     C             5.09461             5.96923             1.46246
     C             4.86049             6.67620             2.66494
     C             5.78022             6.23328             3.69858
     C             4.39494             1.05484             5.89389
     C             3.05975             1.41313             6.30238
     C             3.11481             2.70763             6.93567
     C             4.45694             3.18565             6.83276
     C             5.23752             2.17475             6.21877
     C             3.88197             0.02456             2.46290
     C             3.44928            -0.03589             3.90141
     C             4.60205             0.31977             4.71914
     C             5.67327             0.74693             3.84131
     C             5.27251             0.53075             2.46442
     C             0.40308             1.80113             3.99031
     C             0.81115             1.96247             5.38312
     C             1.91521             0.98214             5.57805
     C             2.12992             0.26556             4.31468
     C             1.26024             0.81156             3.33686
     C             1.34041             5.46918             5.47793
     C             2.29873             5.02733             6.48991
     C             1.98846             3.60036             6.77982
     C             0.83472             3.24634             5.96262
     C             0.47987             4.37214             5.14768
     C             5.43725             6.13114             5.09319
     C             5.88736             4.95612             5.87020
     C             4.75792             4.56297             6.71394
     C             3.63469             5.47445             6.49496
     C             4.04646             6.40922             5.43657
     C             7.24405             2.66575             3.17905
     C             6.54925             1.81385             4.23567
     C             6.29070             2.55881             5.36752
     C             6.66882             3.94092             5.25824
     C             7.38887             4.20738             3.90983
     C             9.01667             4.27469             3.78522
     C             8.79445             2.92094             3.27912
     C            10.25681             4.74423             3.72082
     H            10.52017             5.80259             3.85601
     C            11.25342             3.86451             3.34293
     H            12.30704             4.27736             3.25889
     C            11.09040             2.51608             3.07973
     H            11.93800             1.81825             2.95901
     C             9.81431             2.00933             3.05466
     H             9.68874             0.93820             2.92531
           70
 Energy:   -462.8180923032579    
     C             3.89587             4.31807             0.07134
     C             2.49505             3.83833             0.01914
     C             1.67811             4.84077             0.72055
     C             2.58215             5.98778             1.02808
     C             3.93983             5.64489             0.69044
     C             5.65045             1.56629             1.50977
     C             4.71370             2.02804             0.49445
     C             5.02062             3.44395             0.24400
     C             6.18295             3.80371             1.08213
     C             6.61643             2.62984             1.83263
     C             1.55893             0.85570             1.94571
     C             1.14222             2.08148             1.21002
     C             2.22988             2.43301             0.29507
     C             3.35247             1.51911             0.45899
     C             2.93827             0.47803             1.46588
     C            -0.08086             4.24832             3.83447
     C             0.34951             5.20521             2.79101
     C             0.53617             4.43706             1.55444
     C             0.28602             3.03524             1.81380
     C            -0.12159             2.88218             3.25857
     C             3.08879             6.89484             4.51132
     C             3.52015             7.03642             3.09186
     C             2.33690             6.67526             2.24592
     C             1.18824             6.30985             3.14685
     C             1.70192             6.43123             4.53215
     C             6.69121             5.24790             3.08620
     C             6.20788             5.04072             1.71538
     C             5.07839             5.89356             1.43837
     C             4.79829             6.66690             2.69437
     C             5.75452             6.17102             3.68644
     C             4.46497             1.03112             5.91017
     C             3.07912             1.36514             6.30810
     C             3.05677             2.69128             6.97131
     C             4.46310             3.17507             6.92969
     C             5.30694             2.18253             6.22820
     C             3.91765             0.04878             2.46082
     C             3.46398            -0.08793             3.83727
     C             4.62881             0.32302             4.67951
     C             5.70364             0.76269             3.82517
     C             5.29509             0.56872             2.46101
     C             0.36290             1.76851             3.99461
     C             0.82598             1.92002             5.37398
     C             1.93122             1.02021             5.55666
     C             2.15516             0.30050             4.29871
     C             1.15383             0.75903             3.30857
     C             1.32369             5.51478             5.52534
     C             2.26358             5.01670             6.52237
     C             2.00409             3.63324             6.81618
     C             0.85897             3.21670             5.99015
     C             0.40683             4.39720             5.19116
     C             5.39332             6.12041             5.04181
     C             5.87543             4.98151             5.80409
     C             4.78041             4.55648             6.74082
     C             3.62701             5.47594             6.51308
     C             4.02705             6.41169             5.48105
     C             7.27053             2.64959             3.19683
     C             6.54770             1.79054             4.15299
     C             6.34481             2.57656             5.36480
     C             6.69629             3.97267             5.20192
     C             7.43865             4.21258             3.84432
     C             9.04363             4.23057             3.75789
     C             8.79643             2.83747             3.28181
     C            10.34659             4.68408             3.80931
     H            10.54288             5.74398             4.05752
     C            11.38537             3.83924             3.42101
     H            12.40059             4.28097             3.32970
     C            11.18632             2.51290             3.08379
     H            12.09731             1.83721             3.05630
     C             9.88622             2.03489             3.06459
     H             9.70595             0.93865             3.00433
           70
 Energy:   -462.7184996272186    
     C             3.91393             4.33225             0.03830
     C             2.53400             3.82381             0.11690
     C             1.69618             4.86869             0.76798
     C             2.59555             5.96006             1.10038
     C             3.94542             5.60363             0.66823
     C             5.64551             1.59369             1.47831
     C             4.69784             2.04750             0.46073
     C             5.01050             3.44634             0.20091
     C             6.20110             3.78155             1.05353
     C             6.57995             2.60946             1.76774
     C             1.54660             0.86812             1.93118
     C             1.17094             2.06684             1.20546
     C             2.23096             2.44997             0.23840
     C             3.37348             1.52235             0.49476
     C             2.92249             0.55125             1.49746
     C            -0.09028             4.25545             3.86400
     C             0.32279             5.19022             2.81558
     C             0.54579             4.48476             1.51365
     C             0.27415             3.02306             1.82475
     C            -0.16874             2.93149             3.23471
     C             3.06671             6.82596             4.49592
     C             3.45870             7.05071             3.13088
     C             2.35444             6.73484             2.25977
     C             1.24616             6.26713             3.15113
     C             1.69488             6.39462             4.53178
     C             6.70941             5.28262             3.01873
     C             6.20621             5.05933             1.71830
     C             5.03720             5.97035             1.52321
     C             4.80319             6.63122             2.73008
     C             5.78272             6.17305             3.68155
     C             4.44033             1.02579             5.91969
     C             3.08003             1.34475             6.37870
     C             3.09914             2.67602             7.00152
     C             4.50468             3.17396             7.01629
     C             5.32976             2.18326             6.29153
     C             3.89693             0.07569             2.40352
     C             3.52208            -0.10072             3.84774
     C             4.63093             0.32663             4.68263
     C             5.74854             0.73241             3.80346
     C             5.26128             0.62222             2.40832
     C             0.26763             1.75593             3.98223
     C             0.82725             1.90694             5.35314
     C             1.99983             0.99681             5.50322
     C             2.19022             0.28224             4.24611
     C             1.11249             0.68964             3.31243
     C             1.26322             5.51337             5.58957
     C             2.28830             5.04751             6.58065
     C             1.98840             3.60153             6.81460
     C             0.84109             3.20715             5.97789
     C             0.35666             4.40656             5.23171
     C             5.34770             6.07213             5.02044
     C             5.85369             4.91087             5.78709
     C             4.76540             4.57319             6.73065
     C             3.64656             5.47513             6.52306
     C             4.01262             6.46754             5.48570
     C             7.26366             2.63972             3.07691
     C             6.58680             1.83822             4.20302
     C             6.37756             2.60055             5.35252
     C             6.73723             3.96901             5.17270
     C             7.45222             4.18562             3.78867
     C             9.13130             4.18948             3.73756
     C             8.82181             2.81917             3.30248
     C            10.41058             4.62717             3.87015
     H            10.61881             5.59756             4.32955
     C            11.51926             3.85568             3.48983
     H            12.52012             4.25406             3.53624
     C            11.25138             2.52538             3.14567
     H            12.10101             1.82739             2.82045
     C             9.94327             2.01709             3.08278
     H             9.81540             0.92525             2.80024
           70
 Energy:   -462.0395924480293    
     C             3.90952             4.30561            -0.01568
     C             2.54868             3.83845             0.16556
     C             1.72140             4.83371             0.75941
     C             2.57610             5.96519             1.14384
     C             3.95794             5.63403             0.67016
     C             5.64723             1.54370             1.38944
     C             4.67822             2.03071             0.45350
     C             5.02316             3.44261             0.16902
     C             6.15515             3.81902             0.99268
     C             6.56408             2.61002             1.71128
     C             1.55699             0.89737             1.92986
     C             1.09641             2.07455             1.16345
     C             2.24382             2.45603             0.29852
     C             3.32768             1.54662             0.49938
     C             2.92652             0.61416             1.53451
     C            -0.09426             4.24974             3.88730
     C             0.34382             5.23879             2.82132
     C             0.57186             4.49552             1.59393
     C             0.30125             3.08462             1.80216
     C            -0.14956             2.89982             3.21275
     C             3.05759             6.84174             4.53771
     C             3.48050             7.04545             3.15571
     C             2.29834             6.72665             2.31960
     C             1.24860             6.23372             3.14913
     C             1.66431             6.33227             4.55244
     C             6.72991             5.29625             2.99418
     C             6.17294             5.09612             1.61818
     C             5.03744             5.97801             1.49883
     C             4.76738             6.68783             2.81842
     C             5.82630             6.22464             3.71728
     C             4.44590             1.06634             5.93549
     C             3.08136             1.35719             6.39509
     C             3.14012             2.69465             7.05768
     C             4.53209             3.17653             7.03267
     C             5.34230             2.15836             6.31574
     C             3.88433             0.09533             2.45880
     C             3.52317            -0.06898             3.82524
     C             4.68202             0.34092             4.70463
     C             5.75780             0.75728             3.79720
     C             5.23694             0.63348             2.39889
     C             0.22600             1.71467             3.95479
     C             0.84212             1.91595             5.31550
     C             2.01066             1.00505             5.46887
     C             2.18651             0.23691             4.21160
     C             1.13914             0.68114             3.27645
     C             1.22706             5.51735             5.63845
     C             2.25006             5.02155             6.60496
     C             2.01928             3.55461             6.79201
     C             0.82108             3.19545             5.95023
     C             0.35321             4.37540             5.26571
     C             5.39609             6.01177             5.03821
     C             5.81088             4.86338             5.76644
     C             4.75298             4.53179             6.71820
     C             3.62841             5.52101             6.53678
     C             4.04536             6.42306             5.48372
     C             7.31064             2.65954             3.02423
     C             6.59516             1.80001             4.17231
     C             6.35307             2.58428             5.39726
     C             6.73159             3.96064             5.18304
     C             7.48532             4.17237             3.73595
     C             9.16862             4.18649             3.74899
     C             8.89922             2.80522             3.27203
     C            10.48914             4.59843             3.94856
     H            10.63633             5.52148             4.49544
     C            11.57314             3.82663             3.59026
     H            12.56236             4.13977             3.70273
     C            11.29216             2.53715             3.18787
     H            12.14441             1.96277             2.73333
     C            10.00012             1.99672             3.09083
     H             9.89365             0.99566             2.59059
           70
 Energy:   -462.1450675426943    
     C             3.89578             4.37494             0.00236
     C             2.52446             3.82540             0.09907
     C             1.70646             4.84290             0.81180
     C             2.56678             5.97581             1.10813
     C             3.89458             5.68077             0.66082
     C             5.67510             1.48457             1.35587
     C             4.65313             2.01513             0.39628
     C             4.95713             3.40535             0.11579
     C             6.11687             3.82653             0.96565
     C             6.60636             2.64641             1.67845
     C             1.53222             0.93835             1.91228
     C             1.03940             2.09049             1.12943
     C             2.19094             2.50100             0.36938
     C             3.31395             1.56776             0.51974
     C             2.93343             0.61750             1.55932
     C            -0.08792             4.23072             3.86760
     C             0.32639             5.19007             2.86519
     C             0.64776             4.49922             1.62946
     C             0.30317             3.10560             1.81590
     C            -0.10245             2.87857             3.21099
     C             3.05058             6.87262             4.61026
     C             3.42965             7.05622             3.20004
     C             2.32654             6.65529             2.33690
     C             1.19715             6.27929             3.25805
     C             1.69139             6.34021             4.61285
     C             6.73389             5.29042             2.95516
     C             6.19397             5.13821             1.62285
     C             5.01337             6.04220             1.49505
     C             4.83706             6.71477             2.74417
     C             5.87267             6.23614             3.71099
     C             4.47541             1.05304             5.92673
     C             3.09197             1.39459             6.32530
     C             3.10456             2.66953             7.07124
     C             4.51756             3.13899             7.01425
     C             5.34227             2.16252             6.30973
     C             3.89734             0.15751             2.47822
     C             3.51061            -0.03881             3.90131
     C             4.65982             0.36045             4.70158
     C             5.71795             0.79111             3.76742
     C             5.27092             0.60871             2.42714
     C             0.31797             1.67036             3.91745
     C             0.84157             1.89626             5.25681
     C             1.97862             1.03900             5.48063
     C             2.15286             0.25316             4.26564
     C             1.14886             0.71438             3.26191
     C             1.21697             5.47315             5.64303
     C             2.23044             4.98706             6.59725
     C             2.02690             3.56753             6.77068
     C             0.88996             3.14177             5.96464
     C             0.34960             4.36249             5.24924
     C             5.43686             6.03664             5.06556
     C             5.81476             4.83547             5.77233
     C             4.72686             4.52337             6.71384
     C             3.59574             5.46068             6.58115
     C             4.07106             6.36368             5.46746
     C             7.34804             2.62492             3.06298
     C             6.62554             1.81784             4.12185
     C             6.38802             2.51261             5.33169
     C             6.68981             3.90262             5.17992
     C             7.52134             4.19692             3.75315
     C             9.20159             4.20740             3.79110
     C             8.93383             2.82558             3.22311
     C            10.48239             4.61194             4.05973
     H            10.72272             5.56932             4.49649
     C            11.56622             3.76841             3.73351
     H            12.55670             4.11188             3.82828
     C            11.33991             2.51021             3.17784
     H            12.18522             1.89377             2.89354
     C            10.06182             2.00783             3.03354
     H             9.89425             0.98314             2.68066
           70
 Energy:   -461.9884323885701    
     C             3.84372             4.38522             0.01002
     C             2.45985             3.92877             0.05411
     C             1.70692             4.87481             0.77825
     C             2.51749             6.01032             1.12233
     C             3.90345             5.71777             0.64703
     C             5.72971             1.53581             1.36664
     C             4.67540             1.96950             0.36879
     C             4.92386             3.46875             0.13735
     C             6.10081             3.82483             0.98343
     C             6.62823             2.61450             1.69525
     C             1.50791             0.89346             1.91748
     C             1.06377             2.07466             1.17070
     C             2.19258             2.51960             0.29753
     C             3.28663             1.59452             0.55490
     C             2.88238             0.63107             1.54067
     C            -0.08562             4.14584             3.89377
     C             0.35338             5.19534             2.93392
     C             0.64228             4.48214             1.67461
     C             0.28075             3.05446             1.83444
     C            -0.07112             2.88290             3.22662
     C             3.09116             6.87797             4.60368
     C             3.51045             7.04256             3.20263
     C             2.31304             6.61060             2.40389
     C             1.17641             6.29611             3.29817
     C             1.68800             6.43790             4.71365
     C             6.75593             5.27546             2.98003
     C             6.16460             5.11004             1.61762
     C             5.02513             6.07071             1.43913
     C             4.81741             6.77883             2.75866
     C             5.86282             6.22105             3.65718
     C             4.44333             1.03643             5.91576
     C             3.08594             1.38845             6.26205
     C             3.09432             2.62741             6.98867
     C             4.46987             3.12377             6.99665
     C             5.36916             2.14311             6.22975
     C             3.86148             0.17813             2.50170
     C             3.48654            -0.01225             3.90679
     C             4.65298             0.39235             4.67902
     C             5.71782             0.80733             3.79492
     C             5.29489             0.61199             2.38632
     C             0.38415             1.77765             3.91188
     C             0.83836             1.90627             5.29562
     C             1.95668             1.01869             5.50706
     C             2.16351             0.27625             4.29229
     C             1.19003             0.69678             3.28701
     C             1.26077             5.43393             5.62532
     C             2.25044             4.97167             6.58299
     C             2.00673             3.54309             6.80674
     C             0.88829             3.15265             5.91230
     C             0.37236             4.29111             5.22669
     C             5.44012             6.06488             5.05029
     C             5.84517             4.82497             5.80446
     C             4.74059             4.47710             6.73741
     C             3.62704             5.39258             6.52847
     C             4.02082             6.35386             5.53220
     C             7.35806             2.67129             3.05445
     C             6.63350             1.77684             4.09647
     C             6.38896             2.49549             5.29599
     C             6.70192             3.86952             5.12632
     C             7.50881             4.18315             3.78190
     C             9.19324             4.19412             3.85070
     C             8.95026             2.89421             3.20496
     C            10.46949             4.60523             4.14839
     H            10.66456             5.60530             4.50553
     C            11.51758             3.72871             3.85792
     H            12.51919             4.09450             4.07111
     C            11.38122             2.48854             3.20155
     H            12.18115             1.82614             3.06383
     C            10.04289             2.05127             2.93915
     H             9.93822             1.00548             2.80013
           70
 Energy:   -462.3595222192271    
     C             3.81586             4.39786            -0.00810
     C             2.41916             3.92083             0.02568
     C             1.57070             4.93991             0.76703
     C             2.52748             6.05554             1.18106
     C             3.87387             5.73617             0.64036
     C             5.70208             1.54093             1.37345
     C             4.70772             2.04642             0.41695
     C             4.94128             3.45769             0.22747
     C             6.11469             3.80562             1.04509
     C             6.60287             2.65882             1.69286
     C             1.50596             0.82856             1.92993
     C             1.10706             2.07209             1.18687
     C             2.17751             2.54164             0.23307
     C             3.33192             1.61962             0.51477
     C             2.88749             0.61574             1.53056
     C            -0.06653             4.18683             3.91925
     C             0.38117             5.17225             2.97704
     C             0.59868             4.47335             1.67402
     C             0.29521             3.06619             1.83828
     C            -0.10344             2.87856             3.22829
     C             3.11292             6.89606             4.62272
     C             3.48489             6.99099             3.21134
     C             2.32488             6.64774             2.45165
     C             1.23116             6.29960             3.34390
     C             1.64943             6.52297             4.68867
     C             6.70619             5.27148             2.98056
     C             6.13726             5.08670             1.64603
     C             5.07711             6.08380             1.44676
     C             4.85798             6.75536             2.71513
     C             5.80631             6.22335             3.70673
     C             4.43098             1.03048             5.85927
     C             3.06423             1.33522             6.28076
     C             3.09753             2.63776             6.90274
     C             4.51187             3.06712             6.92670
     C             5.30520             2.12320             6.21475
     C             3.83511             0.17202             2.43953
     C             3.51019             0.01652             3.83814
     C             4.64135             0.37603             4.64593
     C             5.73859             0.74322             3.74284
     C             5.23883             0.63735             2.38300
     C             0.43213             1.77554             3.97144
     C             0.84488             1.89211             5.34521
     C             1.93204             0.95122             5.53466
     C             2.17749             0.24908             4.27709
     C             1.18049             0.73830             3.32930
     C             1.29434             5.44186             5.60826
     C             2.30255             4.90844             6.58684
     C             1.96793             3.49440             6.81999
     C             0.86143             3.14989             5.97304
     C             0.45245             4.33162             5.22834
     C             5.40135             6.02299             5.05382
     C             5.89443             4.84119             5.78053
     C             4.79019             4.46282             6.72867
     C             3.65070             5.34118             6.48134
     C             4.07953             6.38903             5.54102
     C             7.34593             2.66726             2.99106
     C             6.67017             1.77592             4.10323
     C             6.37494             2.53563             5.28708
     C             6.71744             3.92150             5.13326
     C             7.47684             4.17841             3.78473
     C             9.13992             4.20478             3.93490
     C             8.91638             2.92425             3.17291
     C            10.42737             4.56814             4.19440
     H            10.61510             5.52473             4.66542
     C            11.49567             3.70707             3.94482
     H            12.51561             3.91933             4.37186
     C            11.30598             2.51054             3.28198
     H            12.14128             1.90466             3.13127
     C            10.03301             2.12437             2.90117
     H             9.80088             1.16186             2.53463
           70
 Energy:   -462.6774279487537    
     C             3.84317             4.40329             0.01996
     C             2.38227             3.94285             0.02937
     C             1.57683             4.99724             0.73561
     C             2.49650             6.01980             1.16943
     C             3.87961             5.72374             0.68900
     C             5.65512             1.56093             1.38976
     C             4.64755             2.10212             0.49107
     C             4.91908             3.52770             0.28166
     C             6.08781             3.85804             1.06907
     C             6.57775             2.62082             1.71093
     C             1.53151             0.90265             1.89903
     C             1.09114             2.08680             1.17196
     C             2.17136             2.48000             0.28191
     C             3.32597             1.61287             0.45660
     C             2.93386             0.60803             1.43012
     C            -0.03477             4.23562             3.93290
     C             0.42535             5.19773             2.92115
     C             0.53876             4.53721             1.66615
     C             0.32162             3.07162             1.86208
     C            -0.11958             2.87995             3.29540
     C             3.10379             6.93649             4.66403
     C             3.51582             6.98448             3.23532
     C             2.33092             6.68432             2.41196
     C             1.23221             6.28681             3.28836
     C             1.70270             6.49041             4.71986
     C             6.63743             5.26241             3.03558
     C             6.15917             5.11326             1.69404
     C             5.03002             6.04348             1.42770
     C             4.80823             6.72212             2.75473
     C             5.80789             6.19495             3.70442
     C             4.42222             0.98994             5.80777
     C             3.07950             1.27599             6.33036
     C             3.12844             2.62441             6.90917
     C             4.51255             3.10127             6.86907
     C             5.31946             2.09773             6.15166
     C             3.89135             0.15158             2.39963
     C             3.48359            -0.00863             3.77536
     C             4.66580             0.32075             4.57533
     C             5.79391             0.72324             3.70947
     C             5.21853             0.64856             2.35063
     C             0.36617             1.75497             4.00088
     C             0.84388             1.84833             5.38461
     C             1.93724             0.85956             5.56773
     C             2.16071             0.21462             4.25753
     C             1.18948             0.74672             3.29855
     C             1.37028             5.49407             5.65264
     C             2.31621             4.90075             6.55344
     C             2.02350             3.50946             6.82323
     C             0.81071             3.13633             6.05442
     C             0.47269             4.36754             5.25989
     C             5.42184             6.01036             5.04851
     C             5.88487             4.88492             5.78328
     C             4.84883             4.44161             6.66304
     C             3.68922             5.35205             6.50171
     C             4.09639             6.37146             5.52335
     C             7.33368             2.65807             2.99954
     C             6.65103             1.78187             4.09250
     C             6.34713             2.54892             5.29135
     C             6.73293             3.92368             5.15779
     C             7.40877             4.18209             3.76836
     C             9.07598             4.20396             3.93889
     C             8.86420             2.95173             3.16474
     C            10.37649             4.54663             4.27513
     H            10.57509             5.46527             4.82778
     C            11.45260             3.70305             4.04289
     H            12.46948             3.92978             4.51657
     C            11.21956             2.52958             3.35829
     H            12.02472             1.86198             3.08981
     C             9.95127             2.18784             2.87742
     H             9.96362             1.41078             2.13133
           70
 Energy:   -462.6541387668369    
     C             3.77285             4.42076             0.06613
     C             2.41943             3.91104             0.06356
     C             1.60142             4.92629             0.71435
     C             2.51619             6.03418             1.12428
     C             3.83321             5.67948             0.71975
     C             5.60994             1.62535             1.37911
     C             4.58425             2.15527             0.50339
     C             4.88140             3.55064             0.30208
     C             6.10694             3.85098             1.09900
     C             6.56744             2.64010             1.71279
     C             1.60666             0.95641             1.89830
     C             1.06989             2.12365             1.17770
     C             2.16212             2.57640             0.28050
     C             3.27045             1.60270             0.41404
     C             2.91453             0.57346             1.39288
     C             0.01995             4.25252             3.93831
     C             0.39311             5.23854             2.91587
     C             0.55696             4.54547             1.58148
     C             0.29571             3.10962             1.90228
     C            -0.07407             2.95316             3.31379
     C             3.13782             6.93784             4.63191
     C             3.47735             7.06615             3.24542
     C             2.35058             6.69629             2.38322
     C             1.26587             6.32703             3.30400
     C             1.75799             6.43259             4.67130
     C             6.63429             5.24187             3.04950
     C             6.16583             5.14805             1.69072
     C             4.99255             6.03652             1.53325
     C             4.78537             6.66928             2.79292
     C             5.78315             6.20624             3.69379
     C             4.45662             0.94225             5.78881
     C             3.11224             1.22675             6.34126
     C             3.15611             2.57029             6.97307
     C             4.52825             3.07152             6.80640
     C             5.30511             2.08473             6.10269
     C             3.87533             0.12900             2.32957
     C             3.49701            -0.08273             3.74016
     C             4.66724             0.26568             4.56340
     C             5.77065             0.72420             3.69527
     C             5.31602             0.61061             2.32560
     C             0.30823             1.71201             4.01616
     C             0.80886             1.80995             5.43616
     C             1.93890             0.83082             5.56846
     C             2.15843             0.19582             4.22450
     C             1.18476             0.75524             3.24757
     C             1.36019             5.44960             5.68293
     C             2.41928             4.94939             6.58379
     C             2.08167             3.52777             6.81304
     C             0.83889             3.14342             6.06301
     C             0.43116             4.37423             5.32193
     C             5.45673             6.08113             5.04822
     C             5.93927             4.86674             5.77330
     C             4.79854             4.45996             6.64341
     C             3.73479             5.39128             6.53717
     C             4.06820             6.35835             5.53314
     C             7.26940             2.67421             3.04221
     C             6.61531             1.79601             4.08247
     C             6.36902             2.51552             5.25126
     C             6.71233             3.88661             5.16216
     C             7.36227             4.19176             3.80724
     C             9.04568             4.21946             3.90539
     C             8.79735             2.95770             3.18865
     C            10.28116             4.55196             4.38298
     H            10.40222             5.48982             4.93855
     C            11.35778             3.68945             4.15011
     H            12.40633             4.00077             4.45016
     C            11.15047             2.53151             3.39904
     H            12.03796             1.87146             3.20246
     C             9.92267             2.24675             2.80559
     H             9.77020             1.50661             1.98040
           70
 Energy:   -462.3704195817901    
     C             3.82057             4.40157             0.09282
     C             2.45084             3.94907             0.08280
     C             1.62113             4.92003             0.72493
     C             2.46058             6.06468             1.13054
     C             3.86345             5.70636             0.75505
     C             5.61161             1.62663             1.38255
     C             4.56662             2.14885             0.47773
     C             4.87257             3.55133             0.30744
     C             6.07919             3.88759             1.05051
     C             6.53960             2.70066             1.71938
     C             1.55375             0.97282             1.93611
     C             1.10491             2.17876             1.22489
     C             2.11719             2.55462             0.26281
     C             3.24115             1.63668             0.38581
     C             2.87529             0.59815             1.37537
     C             0.05834             4.28470             3.97689
     C             0.37164             5.29145             2.91478
     C             0.54658             4.53075             1.63782
     C             0.27682             3.12790             1.87151
     C             0.01636             2.95498             3.32078
     C             3.12351             6.88019             4.61024
     C             3.49388             7.15609             3.17107
     C             2.33008             6.73028             2.38768
     C             1.26969             6.31836             3.28446
     C             1.76868             6.35887             4.66777
     C             6.65878             5.30020             3.02517
     C             6.13908             5.13836             1.67615
     C             4.94709             5.98466             1.56468
     C             4.74529             6.69819             2.82438
     C             5.79122             6.22818             3.74770
     C             4.47124             0.90510             5.81055
     C             3.10705             1.18132             6.31463
     C             3.17402             2.52164             6.99162
     C             4.52949             3.04355             6.79010
     C             5.30560             2.06564             6.06626
     C             3.92103             0.07512             2.28087
     C             3.51597            -0.15142             3.72361
     C             4.65879             0.22566             4.56420
     C             5.71779             0.70818             3.69626
     C             5.28850             0.55050             2.26455
     C             0.31244             1.73618             3.99243
     C             0.77649             1.80116             5.43740
     C             1.95771             0.86279             5.52306
     C             2.18594             0.20866             4.18910
     C             1.17687             0.77300             3.29537
     C             1.37403             5.45694             5.65821
     C             2.38050             4.92592             6.62749
     C             2.13443             3.48132             6.82026
     C             0.95028             3.12829             6.03089
     C             0.42033             4.34908             5.35646
     C             5.47456             6.10762             5.13630
     C             5.91013             4.87001             5.78875
     C             4.83497             4.42870             6.65876
     C             3.74936             5.45091             6.54818
     C             4.14276             6.43601             5.52465
     C             7.20455             2.70375             3.03548
     C             6.57316             1.75646             4.03921
     C             6.36195             2.46203             5.26874
     C             6.69112             3.84932             5.15170
     C             7.38348             4.20560             3.82508
     C             8.96468             4.23253             3.92456
     C             8.77328             2.94591             3.18306
     C            10.16898             4.56663             4.47121
     H            10.35466             5.44830             5.10574
     C            11.21512             3.69071             4.22575
     H            12.23204             3.95713             4.54225
     C            11.08430             2.55253             3.41363
     H            11.98318             1.84914             3.29574
     C             9.89327             2.29831             2.74092
     H             9.84386             1.36644             2.07024
