           70
 Energy:   -458.0070368561258    
     C             5.00159             2.92639             0.21296
     C             4.27103             1.66735             0.40233
     C             2.77923             1.89272             0.33117
     C             2.64854             3.33254             0.05148
     C             3.96365             3.94829            -0.03808
     C             7.12266             3.16798             3.18909
     C             6.66496             2.35145             2.02118
     C             6.14494             3.24997             1.00391
     C             6.28323             4.59946             1.50410
     C             6.88864             4.58093             2.86469
     C             4.31883             0.08175             3.68600
     C             3.73040             0.12440             2.35810
     C             4.72398             0.82389             1.45020
     C             5.85597             1.17122             2.23267
     C             5.60520             0.74502             3.60790
     C             0.49447             1.52855             3.13784
     C             0.69041             2.00854             1.75732
     C             1.90801             1.31020             1.29553
     C             2.31579             0.33810             2.29957
     C             1.46396             0.48384             3.49106
     C             0.80552             5.56169             2.21106
     C             1.66339             5.41621             1.02585
     C             1.50286             4.02482             0.57078
     C             0.43740             3.37053             1.37174
     C             0.09099             4.29138             2.48750
     C             4.89960             6.52701             2.24586
     C             5.33843             5.65420             1.17402
     C             4.11059             5.30862             0.43662
     C             2.93756             6.07078             0.92364
     C             3.45460             6.80080             2.09767
     C             4.39148             3.66044             7.04380
     C             3.06842             3.03960             7.11322
     C             2.08754             4.08148             6.75382
     C             2.78615             5.34444             6.45412
     C             4.24258             5.07433             6.64193
     C             6.14262             1.45275             4.75273
     C             5.31172             1.57388             5.95091
     C             5.50046             2.97258             6.46958
     C             6.52301             3.62232             5.59113
     C             6.87291             2.67061             4.48951
     C             2.03404             0.39925             4.84447
     C             1.68039             1.39352             5.90318
     C             2.87145             1.74582             6.63093
     C             4.04269             0.96771             6.04703
     C             3.51000             0.23398             4.85993
     C             0.03145             3.80630             3.83151
     C             0.42241             4.62395             4.94979
     C             0.86274             3.73496             6.08101
     C             0.65937             2.36475             5.57788
     C             0.17317             2.37616             4.23048
     C             2.63584             6.95074             3.25067
     C             3.24316             6.88753             4.58116
     C             2.25764             6.21325             5.47601
     C             1.10825             5.82827             4.68275
     C             1.32777             6.25705             3.29809
     C             6.49123             5.49156             3.85289
     C             6.30143             4.98786             5.20942
     C             5.15666             5.73720             5.79001
     C             4.66850             6.67748             4.71763
     C             5.47849             6.47159             3.52065
     C            13.62683             3.50000             2.82749
     C            13.62683             3.50000             4.21451
     C            14.82946             3.50000             2.08448
     H            14.82723             3.50000             0.99280
     C            16.00003             3.50000             2.82225
     H            16.96190             3.50000             2.29155
     C            16.00003             3.50000             4.21975
     H            16.96190             3.50000             4.75045
     C            14.82946             3.50000             4.95752
     H            14.82723             3.50000             6.04920
           70
 Energy:   -458.1531744970328    
     C             4.97921             2.96798             0.14154
     C             4.24380             1.68843             0.39946
     C             2.83095             1.90876             0.32790
     C             2.58975             3.31641             0.00877
     C             3.93575             3.98548            -0.10078
     C             7.12323             3.17459             3.17375
     C             6.62523             2.37989             2.04809
     C             6.13486             3.29702             0.99441
     C             6.27336             4.67079             1.50677
     C             6.87742             4.56526             2.82670
     C             4.28701             0.11441             3.68267
     C             3.72402             0.16308             2.33531
     C             4.67749             0.82654             1.43637
     C             5.89507             1.18828             2.25314
     C             5.62259             0.69592             3.62776
     C             0.50862             1.53654             3.18367
     C             0.75474             2.04641             1.81177
     C             1.85863             1.30374             1.21857
     C             2.32086             0.34003             2.21635
     C             1.48413             0.47413             3.45137
     C             0.85990             5.52280             2.27752
     C             1.66666             5.39641             1.04985
     C             1.48721             4.03174             0.58046
     C             0.47633             3.39040             1.43896
     C             0.10751             4.30301             2.50746
     C             4.83609             6.48763             2.30460
     C             5.27154             5.63860             1.18316
     C             4.08334             5.32058             0.32997
     C             2.94908             6.09062             0.92132
     C             3.44018             6.81285             2.13169
     C             4.42656             3.59654             7.01607
     C             3.07760             3.01693             7.08577
     C             2.07303             4.04523             6.77238
     C             2.80398             5.29254             6.51357
     C             4.20919             5.02319             6.62481
     C             6.13782             1.40726             4.71016
     C             5.31854             1.62791             5.88602
     C             5.51058             2.91342             6.38978
     C             6.44140             3.65447             5.56361
     C             6.89527             2.70550             4.52725
     C             2.06310             0.36766             4.78723
     C             1.68599             1.32783             5.87038
     C             2.92744             1.64550             6.64055
     C             4.02762             0.99749             6.01213
     C             3.52361             0.19492             4.88717
     C             0.04214             3.81090             3.86073
     C             0.45408             4.63070             4.99285
     C             0.88881             3.75204             6.02527
     C             0.67399             2.32301             5.65891
     C             0.19576             2.44783             4.21550
     C             2.63948             6.96696             3.30347
     C             3.23210             6.85056             4.61864
     C             2.31152             6.21013             5.51485
     C             1.15039             5.83175             4.69935
     C             1.38562             6.28968             3.35882
     C             6.50633             5.50006             3.84680
     C             6.27444             5.04809             5.22541
     C             5.12556             5.74944             5.77001
     C             4.61091             6.65069             4.76619
     C             5.46261             6.48342             3.58776
     C            13.15121             3.50000             2.83121
     C            13.15121             3.50000             4.21079
     C            14.37969             3.50000             2.12215
     H            14.44514             3.50000             1.03574
     C            15.56927             3.50000             2.83886
     H            16.51789             3.50000             2.30273
     C            15.56927             3.50000             4.20314
     H            16.51789             3.50000             4.73927
     C            14.37969             3.50000             4.91985
     H            14.44514             3.50000             6.00626
           70
 Energy:   -458.0555668010943    
     C             4.93925             2.98701             0.14235
     C             4.26115             1.70858             0.42559
     C             2.77873             1.97189             0.32838
     C             2.57752             3.35583            -0.03438
     C             3.86439             3.99899            -0.18205
     C             7.08942             3.16701             3.15493
     C             6.55298             2.39254             2.01942
     C             6.07743             3.33141             0.94670
     C             6.26192             4.70114             1.47431
     C             6.89041             4.61673             2.82189
     C             4.29705             0.11459             3.67635
     C             3.71942             0.18654             2.33722
     C             4.71217             0.81618             1.47121
     C             5.87469             1.13959             2.27523
     C             5.67002             0.65600             3.60981
     C             0.56766             1.53029             3.20961
     C             0.76438             2.01946             1.86227
     C             1.82971             1.28124             1.13984
     C             2.32639             0.34343             2.17273
     C             1.53711             0.45923             3.40505
     C             0.92362             5.55841             2.30893
     C             1.69407             5.40090             1.08893
     C             1.45719             4.04192             0.54573
     C             0.58268             3.36630             1.51024
     C             0.17198             4.32154             2.54737
     C             4.81142             6.50987             2.29980
     C             5.19794             5.60669             1.24025
     C             4.08705             5.38588             0.30410
     C             2.92736             6.05338             0.96829
     C             3.40598             6.80604             2.12486
     C             4.41268             3.62933             6.94140
     C             3.08842             2.95274             7.07298
     C             2.08997             4.00715             6.81371
     C             2.77468             5.24821             6.55655
     C             4.23654             5.00290             6.63838
     C             6.19163             1.45988             4.69848
     C             5.29041             1.56687             5.83691
     C             5.51042             2.95409             6.39533
     C             6.40409             3.66544             5.49000
     C             6.90389             2.71203             4.50375
     C             2.10168             0.39248             4.71018
     C             1.68435             1.23258             5.85927
     C             2.88662             1.61698             6.62734
     C             4.04616             0.97085             5.94309
     C             3.53607             0.15334             4.87083
     C            -0.02081             3.88600             3.87793
     C             0.48958             4.63987             4.98620
     C             0.93784             3.69995             6.07049
     C             0.72684             2.31567             5.58332
     C             0.16108             2.45436             4.23467
     C             2.66672             6.96944             3.32298
     C             3.25404             6.90141             4.67289
     C             2.34719             6.15859             5.56557
     C             1.16952             5.85596             4.78866
     C             1.34920             6.32951             3.40456
     C             6.49853             5.50416             3.87763
     C             6.27556             5.04434             5.26611
     C             5.09195             5.71197             5.80759
     C             4.62113             6.62435             4.79720
     C             5.42295             6.51096             3.59106
     C            12.70225             3.50000             2.83480
     C            12.70225             3.50000             4.20720
     C            13.92358             3.50000             2.12077
     H            13.84281             3.50000             1.03615
     C            15.13645             3.50000             2.81376
     H            16.07472             3.50000             2.26927
     C            15.13645             3.50000             4.22824
     H            16.07472             3.50000             4.77273
     C            13.92358             3.50000             4.92123
     H            13.84281             3.50000             6.00585
           70
 Energy:   -458.1384789033823    
     C             4.87517             3.02529             0.16341
     C             4.20024             1.74126             0.47992
     C             2.75326             1.97356             0.31003
     C             2.54260             3.40927            -0.07561
     C             3.89414             4.06442            -0.21624
     C             7.03404             3.21580             3.09537
     C             6.48372             2.39622             1.96415
     C             6.03548             3.33243             0.95623
     C             6.24286             4.67331             1.46952
     C             6.89363             4.63495             2.82284
     C             4.38647             0.04684             3.65629
     C             3.75951             0.18034             2.33894
     C             4.70796             0.83499             1.44882
     C             5.90516             1.14244             2.21684
     C             5.71500             0.65671             3.62073
     C             0.60933             1.53412             3.19155
     C             0.74378             1.99767             1.81022
     C             1.81864             1.24916             1.17485
     C             2.34585             0.31463             2.15937
     C             1.57246             0.48595             3.39892
     C             0.91551             5.58894             2.32406
     C             1.67847             5.39947             1.08599
     C             1.46075             4.08182             0.55604
     C             0.63459             3.38232             1.55679
     C             0.27076             4.33327             2.58552
     C             4.81528             6.56077             2.28912
     C             5.21614             5.62378             1.24239
     C             4.03717             5.35647             0.36393
     C             2.92536             6.04941             0.98414
     C             3.39078             6.80049             2.15560
     C             4.37593             3.58058             6.93265
     C             3.11385             2.92615             7.06881
     C             2.10260             3.94958             6.87886
     C             2.79954             5.25465             6.59070
     C             4.17990             5.02946             6.69252
     C             6.20207             1.43018             4.67669
     C             5.34357             1.59974             5.86957
     C             5.49329             2.92691             6.35187
     C             6.45652             3.62177             5.49067
     C             6.87029             2.72104             4.41729
     C             2.12319             0.36303             4.69859
     C             1.65321             1.24347             5.80351
     C             2.88561             1.58766             6.56544
     C             4.01804             0.90371             5.95413
     C             3.54430             0.15242             4.77974
     C            -0.07725             3.87091             3.91612
     C             0.50712             4.62226             5.08462
     C             0.94787             3.63550             6.06086
     C             0.78828             2.30969             5.49156
     C             0.11808             2.40557             4.20076
     C             2.64087             6.99331             3.37539
     C             3.25667             6.93757             4.72403
     C             2.34869             6.17563             5.59305
     C             1.14541             5.88297             4.83686
     C             1.32831             6.38190             3.47366
     C             6.46392             5.54556             3.88464
     C             6.28080             5.01905             5.24168
     C             5.14275             5.69724             5.82982
     C             4.65322             6.66192             4.81099
     C             5.42921             6.48448             3.57519
     C            12.27210             3.50000             2.83488
     C            12.27210             3.50000             4.20712
     C            13.47136             3.50000             2.08370
     H            13.47008             3.50000             0.99242
     C            14.66433             3.50000             2.82327
     H            15.60145             3.50000             2.28781
     C            14.66433             3.50000             4.21873
     H            15.60145             3.50000             4.75419
     C            13.47136             3.50000             4.95830
     H            13.47008             3.50000             6.04958
           70
 Energy:   -457.9165210763649    
     C             4.84629             3.03092             0.19727
     C             4.12475             1.81885             0.48891
     C             2.70956             1.97789             0.29883
     C             2.53109             3.39381            -0.10911
     C             3.87072             4.05155            -0.17301
     C             6.99185             3.19348             3.05815
     C             6.51942             2.44695             1.96370
     C             5.98737             3.33988             0.96343
     C             6.21471             4.70588             1.48120
     C             6.84059             4.63406             2.76894
     C             4.44637            -0.02719             3.61376
     C             3.80547             0.10473             2.30973
     C             4.66476             0.86094             1.41272
     C             5.93069             1.15878             2.17176
     C             5.75543             0.64222             3.52035
     C             0.55814             1.53688             3.10992
     C             0.73196             2.00177             1.75600
     C             1.86372             1.25482             1.16727
     C             2.40213             0.29587             2.21151
     C             1.56858             0.50026             3.39013
     C             0.89069             5.62168             2.37461
     C             1.62382             5.49619             1.08736
     C             1.47481             4.10217             0.60654
     C             0.63287             3.40954             1.54260
     C             0.28942             4.29886             2.67434
     C             4.84407             6.59019             2.29765
     C             5.24317             5.69160             1.18523
     C             4.05298             5.33459             0.46534
     C             2.91547             6.09026             1.02031
     C             3.38489             6.82378             2.22522
     C             4.43494             3.56770             6.95926
     C             3.09031             2.89067             7.06368
     C             2.05989             3.95837             6.87276
     C             2.72600             5.25349             6.63508
     C             4.26022             4.99789             6.71998
     C             6.18462             1.40298             4.68285
     C             5.33745             1.51609             5.87800
     C             5.50661             2.93038             6.32213
     C             6.51010             3.60912             5.50626
     C             6.82042             2.70049             4.38486
     C             2.10802             0.31005             4.69117
     C             1.73960             1.26552             5.71655
     C             2.90853             1.58173             6.52615
     C             4.09136             0.88142             5.95281
     C             3.59976             0.16096             4.78624
     C            -0.04753             3.82791             3.95373
     C             0.43596             4.58983             5.12115
     C             0.99042             3.60213             6.05102
     C             0.76282             2.28705             5.46742
     C             0.12492             2.41461             4.16150
     C             2.62715             7.04310             3.42243
     C             3.25547             6.92757             4.74171
     C             2.32044             6.23408             5.64623
     C             1.10763             5.86936             4.86855
     C             1.29727             6.39196             3.48016
     C             6.49418             5.49010             3.82094
     C             6.29694             4.98158             5.19569
     C             5.15482             5.72951             5.84647
     C             4.66133             6.69803             4.84244
     C             5.42454             6.50509             3.60213
     C            11.84103             3.50000             2.82175
     C            11.84103             3.50000             4.22025
     C            13.03228             3.50000             2.06752
     H            13.10035             3.50000             0.98044
     C            14.17884             3.50000             2.82582
     H            15.13893             3.50000             2.33214
     C            14.17884             3.50000             4.21618
     H            15.13893             3.50000             4.70986
     C            13.03228             3.50000             4.97448
     H            13.10035             3.50000             6.06156
           70
 Energy:   -458.1115834528955    
     C             4.81647             3.03395             0.21687
     C             4.13802             1.78674             0.48100
     C             2.70930             2.00765             0.26749
     C             2.47789             3.42026            -0.06533
     C             3.80750             4.04518            -0.06540
     C             7.00574             3.19586             3.11460
     C             6.55199             2.41363             1.91683
     C             5.97667             3.39336             0.95705
     C             6.18488             4.73767             1.40799
     C             6.81007             4.57676             2.75030
     C             4.45911            -0.05838             3.59278
     C             3.80575             0.01628             2.26073
     C             4.69118             0.88619             1.40046
     C             5.88377             1.18493             2.09778
     C             5.77661             0.60402             3.48824
     C             0.49160             1.49499             3.08722
     C             0.75608             2.00243             1.72553
     C             1.88308             1.26381             1.16949
     C             2.39562             0.36223             2.19430
     C             1.52180             0.47476             3.37679
     C             0.83564             5.59922             2.40415
     C             1.58044             5.56044             1.12718
     C             1.48763             4.16913             0.60902
     C             0.59626             3.41225             1.54583
     C             0.26692             4.30943             2.63649
     C             4.85639             6.63072             2.33360
     C             5.24661             5.78964             1.21003
     C             4.01071             5.36406             0.47764
     C             2.90708             6.12980             1.10445
     C             3.42349             6.87020             2.25189
     C             4.43765             3.55746             6.99163
     C             3.11921             2.94014             7.06478
     C             2.09955             3.94534             6.83929
     C             2.80474             5.26979             6.66753
     C             4.24040             5.00753             6.71233
     C             6.17544             1.37605             4.59740
     C             5.40554             1.50175             5.84737
     C             5.56206             2.86507             6.37209
     C             6.48281             3.58365             5.46328
     C             6.81818             2.66230             4.41273
     C             2.19915             0.31436             4.65090
     C             1.80356             1.28114             5.68529
     C             2.97604             1.60235             6.50410
     C             4.09100             0.88012             5.93925
     C             3.65455             0.07034             4.76644
     C            -0.00612             3.83099             3.93434
     C             0.39731             4.60190             5.09043
     C             0.92906             3.60226             6.03633
     C             0.76781             2.21832             5.49511
     C             0.16964             2.38896             4.17152
     C             2.60482             7.04440             3.44108
     C             3.23629             6.91730             4.77809
     C             2.25547             6.21344             5.70842
     C             1.06541             5.84623             4.89133
     C             1.29307             6.39917             3.53474
     C             6.44670             5.48201             3.82094
     C             6.29975             4.99167             5.19470
     C             5.18508             5.70940             5.83624
     C             4.65925             6.68233             4.86193
     C             5.47225             6.53705             3.61536
     C            11.38083             3.50000             2.83698
     C            11.38083             3.50000             4.20502
     C            12.57057             3.50000             2.07921
     H            12.53275             3.50000             0.98836
     C            13.75906             3.50000             2.82167
     H            14.70685             3.50000             2.28212
     C            13.75906             3.50000             4.22033
     H            14.70685             3.50000             4.75988
     C            12.57057             3.50000             4.96279
     H            12.53275             3.50000             6.05364
           70
 Energy:   -458.2057478739126    
     C             4.79189             3.06883             0.23766
     C             4.16449             1.75478             0.39906
     C             2.72862             1.97716             0.27028
     C             2.48760             3.47314             0.02923
     C             3.78822             4.11579             0.03341
     C             7.02627             3.15368             3.03692
     C             6.55150             2.43303             1.88595
     C             6.00864             3.37103             0.90161
     C             6.22259             4.76056             1.44784
     C             6.78180             4.62662             2.80303
     C             4.45783            -0.11482             3.53759
     C             3.77420             0.06199             2.21467
     C             4.65498             0.80174             1.36620
     C             5.88783             1.16266             2.14286
     C             5.74551             0.59061             3.44164
     C             0.48851             1.43808             3.12163
     C             0.72792             2.02567             1.76439
     C             1.85227             1.33008             1.16158
     C             2.37728             0.36843             2.14034
     C             1.55262             0.41522             3.35481
     C             0.80988             5.64542             2.41880
     C             1.60118             5.55003             1.20121
     C             1.38145             4.20876             0.61506
     C             0.59267             3.43195             1.50059
     C             0.17203             4.31409             2.57307
     C             4.86020             6.71163             2.36151
     C             5.21029             5.78414             1.22304
     C             3.95700             5.46760             0.48959
     C             2.86961             6.15996             1.16873
     C             3.41196             6.92778             2.30669
     C             4.48899             3.57584             6.98212
     C             3.17124             2.92143             7.03510
     C             2.13047             3.96935             6.77835
     C             2.81315             5.25269             6.64396
     C             4.27830             5.00907             6.69133
     C             6.19897             1.37720             4.57286
     C             5.42430             1.47817             5.82200
     C             5.59133             2.83229             6.44100
     C             6.40954             3.56908             5.46865
     C             6.87562             2.66043             4.37523
     C             2.24896             0.37538             4.59083
     C             1.85089             1.26108             5.70559
     C             3.02644             1.64492             6.47265
     C             4.17447             0.85434             5.88432
     C             3.66694             0.01275             4.76722
     C             0.00248             3.79071             3.87057
     C             0.41684             4.56711             5.06907
     C             0.90642             3.62062             6.10404
     C             0.79445             2.24807             5.51641
     C             0.18469             2.36319             4.16763
     C             2.60760             6.99821             3.48569
     C             3.20695             6.89216             4.83673
     C             2.26952             6.17663             5.71130
     C             1.06598             5.86923             4.91914
     C             1.26183             6.34908             3.54598
     C             6.42048             5.47875             3.84489
     C             6.28536             4.95410             5.21172
     C             5.17048             5.66326             5.83783
     C             4.64497             6.64697             4.85615
     C             5.47547             6.57224             3.64268
     C            10.90317             3.50000             2.83405
     C            10.90317             3.50000             4.20795
     C            12.12342             3.50000             2.11388
     H            12.05704             3.50000             1.02691
     C            13.33315             3.50000             2.81457
     H            14.29098             3.50000             2.27063
     C            13.33315             3.50000             4.22743
     H            14.29098             3.50000             4.77137
     C            12.12342             3.50000             4.92812
     H            12.05704             3.50000             6.01509
           70
 Energy:   -457.9065315911692    
     C             4.82438             3.11900             0.23704
     C             4.17841             1.76353             0.32341
     C             2.69887             2.05859             0.26802
     C             2.50746             3.48769             0.11859
     C             3.79504             4.17832             0.10159
     C             7.05039             3.20672             3.00505
     C             6.50839             2.39074             1.86513
     C             6.06275             3.40994             0.88929
     C             6.19342             4.76224             1.48387
     C             6.80052             4.59569             2.80288
     C             4.41322            -0.14515             3.50420
     C             3.73467             0.10622             2.23233
     C             4.69858             0.79796             1.27656
     C             5.86981             1.14966             2.08289
     C             5.71549             0.60309             3.49244
     C             0.54472             1.42846             3.13923
     C             0.68567             2.05173             1.82434
     C             1.81493             1.34598             1.17382
     C             2.34373             0.32657             2.07440
     C             1.59417             0.41623             3.31028
     C             0.74545             5.62294             2.41510
     C             1.60428             5.51768             1.23074
     C             1.39131             4.19548             0.58769
     C             0.46948             3.43744             1.50184
     C             0.05955             4.34075             2.57743
     C             4.85676             6.75331             2.35142
     C             5.19544             5.78364             1.28130
     C             3.97382             5.52789             0.54912
     C             2.84999             6.21652             1.20181
     C             3.35765             6.95566             2.34843
     C             4.52740             3.56526             6.98749
     C             3.20410             2.93866             6.97265
     C             2.16448             3.92959             6.78610
     C             2.82303             5.20656             6.58873
     C             4.28102             4.97353             6.71911
     C             6.23569             1.36905             4.58224
     C             5.47385             1.46406             5.82437
     C             5.60502             2.81519             6.38897
     C             6.46665             3.54408             5.45615
     C             6.87744             2.68521             4.33300
     C             2.23917             0.38486             4.60705
     C             1.85200             1.29641             5.68358
     C             3.10443             1.58049             6.41198
     C             4.18055             0.81379             5.85417
     C             3.67426             0.04202             4.71135
     C            -0.00432             3.75657             3.89382
     C             0.45053             4.54685             5.05304
     C             0.94873             3.62248             6.10207
     C             0.83560             2.27389             5.52301
     C             0.19919             2.34256             4.20366
     C             2.58553             6.95871             3.55187
     C             3.23521             6.85634             4.82341
     C             2.29964             6.16920             5.68780
     C             1.05934             5.81897             4.93486
     C             1.28408             6.34455             3.57555
     C             6.44810             5.49400             3.89641
     C             6.22181             4.92632             5.20826
     C             5.14510             5.67321             5.81558
     C             4.60677             6.62728             4.89434
     C             5.43725             6.57577             3.67913
     C            10.44709             3.50000             2.82807
     C            10.44709             3.50000             4.21393
     C            11.68228             3.50000             2.12417
     H            11.75287             3.50000             1.03859
     C            12.86951             3.50000             2.84042
     H            13.82557             3.50000             2.29423
     C            12.86951             3.50000             4.20158
     H            13.82557             3.50000             4.74777
     C            11.68228             3.50000             4.91783
     H            11.75287             3.50000             6.00341
           70
 Energy:   -458.1272212913499    
     C             4.86133             3.15565             0.17968
     C             4.15158             1.83860             0.30193
     C             2.70396             2.10314             0.31855
     C             2.53542             3.53456             0.14061
     C             3.82067             4.16884             0.13156
     C             7.03983             3.16453             3.04321
     C             6.54494             2.44510             1.87659
     C             6.03644             3.44961             0.91334
     C             6.14802             4.77210             1.50740
     C             6.82324             4.63870             2.79082
     C             4.41051            -0.04214             3.50130
     C             3.77263             0.10315             2.12845
     C             4.66638             0.82527             1.25310
     C             5.87527             1.13573             2.06335
     C             5.69821             0.61337             3.42894
     C             0.58408             1.50423             3.17665
     C             0.69173             2.05289             1.81122
     C             1.79838             1.36564             1.12000
     C             2.32811             0.31883             2.05722
     C             1.57358             0.45720             3.33304
     C             0.72654             5.60886             2.46136
     C             1.56686             5.52039             1.22171
     C             1.37544             4.16940             0.68641
     C             0.33138             3.43648             1.49363
     C            -0.02151             4.33183             2.64262
     C             4.80324             6.75216             2.44196
     C             5.21134             5.84424             1.37302
     C             3.98986             5.49707             0.61303
     C             2.83487             6.21882             1.18642
     C             3.37064             6.96866             2.34408
     C             4.53684             3.50279             6.96268
     C             3.24663             2.83635             6.93121
     C             2.19016             3.87719             6.80115
     C             2.86363             5.16193             6.58834
     C             4.27260             4.97188             6.74380
     C             6.26956             1.36157             4.55832
     C             5.49921             1.42115             5.82318
     C             5.63031             2.82329             6.30378
     C             6.55173             3.56892             5.42617
     C             6.85891             2.66100             4.33141
     C             2.20237             0.32574             4.58610
     C             1.91282             1.30369             5.65497
     C             3.08372             1.58739             6.41252
     C             4.20910             0.79803             5.83167
     C             3.62009             0.08458             4.67811
     C            -0.04597             3.77128             3.95220
     C             0.46822             4.52477             5.08460
     C             1.02395             3.59027             6.02204
     C             0.86279             2.24658             5.52287
     C             0.21378             2.33552             4.24070
     C             2.57976             6.98555             3.50479
     C             3.20148             6.83352             4.81227
     C             2.28889             6.11566             5.70685
     C             1.10685             5.78714             4.91548
     C             1.24831             6.31005             3.56854
     C             6.45553             5.50222             3.85150
     C             6.20426             4.92379             5.20527
     C             5.11934             5.64542             5.86577
     C             4.63548             6.64094             4.89717
     C             5.43665             6.54888             3.67536
     C            10.02576             3.50000             2.83265
     C            10.02576             3.50000             4.20935
     C            11.22704             3.50000             2.09422
     H            11.20224             3.50000             1.00413
     C            12.40519             3.50000             2.82140
     H            13.36680             3.50000             2.28789
     C            12.40519             3.50000             4.22060
     H            13.36680             3.50000             4.75411
     C            11.22704             3.50000             4.94778
     H            11.20224             3.50000             6.03787
           70
 Energy:   -457.8467127429798    
     C             4.84987             3.13192             0.13455
     C             4.17111             1.88060             0.36236
     C             2.73779             2.12654             0.33988
     C             2.48583             3.56839             0.17725
     C             3.84761             4.19696             0.09138
     C             7.02822             3.20745             3.03237
     C             6.55371             2.46060             1.86954
     C             5.98776             3.44840             0.95283
     C             6.16583             4.82119             1.54244
     C             6.85235             4.62616             2.81366
     C             4.37323             0.07912             3.40782
     C             3.73904             0.07335             2.09007
     C             4.66619             0.91898             1.23077
     C             5.91736             1.22701             2.01520
     C             5.74362             0.66954             3.36122
     C             0.59805             1.57951             3.13331
     C             0.66106             2.06594             1.77289
     C             1.79314             1.35577             1.11543
     C             2.34251             0.36139             2.06644
     C             1.55467             0.47869             3.31274
     C             0.71043             5.58854             2.47068
     C             1.49906             5.53338             1.28153
     C             1.33704             4.16730             0.76906
     C             0.33551             3.43077             1.52918
     C            -0.04060             4.31763             2.66486
     C             4.77908             6.71659             2.48274
     C             5.17316             5.84366             1.39163
     C             3.99799             5.47025             0.65884
     C             2.83609             6.16687             1.17350
     C             3.33445             6.97665             2.29948
     C             4.56123             3.47701             6.89083
     C             3.25348             2.82852             6.99200
     C             2.24071             3.81735             6.77472
     C             2.82857             5.12292             6.66729
     C             4.31885             4.88746             6.76653
     C             6.24553             1.30991             4.50911
     C             5.50405             1.40943             5.76384
     C             5.66256             2.81600             6.30915
     C             6.52212             3.55023             5.41906
     C             6.91940             2.63218             4.34179
     C             2.18877             0.31306             4.60452
     C             1.87447             1.22901             5.63527
     C             3.09467             1.50425             6.39703
     C             4.19525             0.81672             5.82268
     C             3.65543             0.07428             4.64981
     C            -0.12597             3.77492             4.01542
     C             0.48084             4.51864             5.12402
     C             1.11493             3.53844             6.03395
     C             0.89179             2.20976             5.49513
     C             0.17293             2.38596             4.22868
     C             2.51789             7.01579             3.48426
     C             3.21203             6.84810             4.82217
     C             2.31545             6.05408             5.68654
     C             1.11981             5.75080             4.91156
     C             1.25867             6.31949             3.56900
     C             6.41536             5.49866             3.86597
     C             6.29581             4.95269             5.17557
     C             5.17036             5.65095             5.85463
     C             4.62093             6.64307             4.92199
     C             5.44296             6.56119             3.72383
     C             9.59380             3.50000             2.83637
     C             9.59380             3.50000             4.20563
     C            10.76761             3.50000             2.05586
     H            10.66958             3.50000             0.96695
     C            11.95369             3.50000             2.80919
     H            12.91419             3.50000             2.28921
     C            11.95369             3.50000             4.23281
     H            12.91419             3.50000             4.75279
     C            10.76761             3.50000             4.98614
     H            10.66958             3.50000             6.07505
           70
 Energy:   -458.0856393365368    
     C             4.84055             3.18949             0.17038
     C             4.14685             1.91047             0.37381
     C             2.70156             2.13772             0.35496
     C             2.48991             3.55842             0.19873
     C             3.76984             4.19557            -0.00718
     C             7.08259             3.21712             3.03124
     C             6.55129             2.53642             1.85522
     C             5.98233             3.49795             0.94701
     C             6.20087             4.80847             1.52792
     C             6.82180             4.65761             2.84133
     C             4.41126             0.09854             3.38083
     C             3.75627             0.18445             2.07383
     C             4.71047             0.92600             1.25172
     C             5.89034             1.25486             1.96618
     C             5.70853             0.70825             3.28519
     C             0.55309             1.56905             3.10386
     C             0.64949             2.04882             1.73162
     C             1.80205             1.37803             1.12357
     C             2.32039             0.39929             2.05444
     C             1.57304             0.51732             3.29441
     C             0.65482             5.61024             2.53289
     C             1.51788             5.51349             1.30766
     C             1.34499             4.20804             0.73684
     C             0.42238             3.45581             1.60106
     C            -0.02532             4.32057             2.70182
     C             4.75254             6.71279             2.44394
     C             5.16241             5.77100             1.39783
     C             3.96440             5.45886             0.61699
     C             2.78050             6.12019             1.21423
     C             3.26753             6.96765             2.32522
     C             4.56547             3.42379             6.89688
     C             3.29395             2.75436             7.01188
     C             2.26369             3.77555             6.81608
     C             2.90242             5.12473             6.70567
     C             4.35121             4.90556             6.70364
     C             6.27608             1.35136             4.48191
     C             5.46205             1.44096             5.72379
     C             5.66786             2.72565             6.31302
     C             6.52012             3.51955             5.39925
     C             6.97300             2.63592             4.31094
     C             2.22788             0.27208             4.53093
     C             1.82766             1.14723             5.71120
     C             3.05973             1.49466             6.45819
     C             4.20630             0.78469             5.75941
     C             3.69648             0.07551             4.59216
     C            -0.19077             3.81952             4.02677
     C             0.47567             4.48386             5.17475
     C             1.08667             3.49807             6.02998
     C             0.87567             2.20712             5.43520
     C             0.13909             2.36117             4.19994
     C             2.52718             7.05289             3.54204
     C             3.21129             6.85771             4.80994
     C             2.36864             6.01791             5.67598
     C             1.13418             5.72952             4.92826
     C             1.22610             6.32062             3.61079
     C             6.44302             5.51250             3.88396
     C             6.34670             4.93561             5.24035
     C             5.22811             5.62234             5.88781
     C             4.62273             6.62498             4.97305
     C             5.40715             6.59208             3.72868
     C             9.12745             3.50000             2.82432
     C             9.12745             3.50000             4.21768
     C            10.33137             3.50000             2.07511
     H            10.35146             3.50000             0.98307
     C            11.49675             3.50000             2.82340
     H            12.44666             3.50000             2.30719
     C            11.49675             3.50000             4.21860
     H            12.44666             3.50000             4.73481
     C            10.33137             3.50000             4.96689
     H            10.35146             3.50000             6.05893
           70
 Energy:   -458.7234607234734    
     C             4.78075             3.24709             0.19603
     C             4.13104             1.93017             0.34161
     C             2.69884             2.14591             0.35049
     C             2.44924             3.54168             0.12131
     C             3.73265             4.21001            -0.04935
     C             7.25006             3.23662             2.97467
     C             6.51700             2.52147             1.81173
     C             6.02149             3.54236             0.90862
     C             6.17779             4.84755             1.53019
     C             6.78968             4.71518             2.80949
     C             4.45868             0.04422             3.36846
     C             3.76707             0.30130             2.10818
     C             4.66850             0.94384             1.16093
     C             5.90850             1.29696             1.97324
     C             5.74844             0.75821             3.33469
     C             0.47754             1.46428             3.08702
     C             0.64899             2.07085             1.76231
     C             1.76830             1.40255             1.10439
     C             2.36499             0.43070             2.02860
     C             1.58884             0.53292             3.28183
     C             0.67303             5.65482             2.52287
     C             1.49341             5.53286             1.34536
     C             1.35691             4.20677             0.73105
     C             0.48540             3.46504             1.61068
     C             0.00877             4.35491             2.72235
     C             4.72394             6.71336             2.44133
     C             5.10270             5.75728             1.36473
     C             3.88285             5.47518             0.55865
     C             2.78441             6.13772             1.27347
     C             3.29401             6.91673             2.37684
     C             4.61047             3.41484             6.95143
     C             3.28079             2.73962             7.00607
     C             2.22872             3.79045             6.87002
     C             2.94098             5.08983             6.62559
     C             4.37553             4.81579             6.71274
     C             6.27654             1.39579             4.42490
     C             5.46127             1.39971             5.63807
     C             5.66266             2.74392             6.27045
     C             6.58233             3.49463             5.43076
     C             6.94071             2.64785             4.34360
     C             2.23582             0.28788             4.53468
     C             1.81781             1.07811             5.70036
     C             3.06587             1.37605             6.46121
     C             4.16531             0.78129             5.74387
     C             3.66474             0.10177             4.55796
     C            -0.18127             3.77224             4.03873
     C             0.43196             4.49570             5.17983
     C             1.07066             3.47594             6.06317
     C             0.86479             2.13668             5.44544
     C             0.10462             2.34894             4.17580
     C             2.50326             7.04936             3.58584
     C             3.24775             6.81125             4.88458
     C             2.38686             6.00464             5.71748
     C             1.16687             5.69274             5.01482
     C             1.20169             6.36047             3.69071
     C             6.48068             5.56093             3.92218
     C             6.34556             4.92445             5.26643
     C             5.24385             5.63992             5.92109
     C             4.66611             6.61578             4.96475
     C             5.40324             6.55492             3.70565
     C             8.63322             3.48306             2.76951
     C             8.67802             3.50443             4.26567
     C             9.85794             3.50311             2.13410
     H             9.93047             3.49136             1.04210
     C            11.06571             3.50068             2.83590
     H            12.00464             3.49998             2.30570
     C            11.06712             3.49999             4.20657
     H            12.00615             3.49995             4.73451
     C             9.88223             3.50006             4.92586
     H             9.93629             3.49993             6.01117
           70
 Energy:   -457.7189430247392    
     C             4.79394             3.25685             0.17204
     C             4.14232             1.97626             0.28355
     C             2.68020             2.15698             0.26662
     C             2.39597             3.57676            -0.00547
     C             3.71351             4.26410            -0.02930
     C             6.92848             3.23729             2.83137
     C             6.50347             2.54021             1.70890
     C             5.97976             3.53430             0.86019
     C             6.08415             4.89980             1.49697
     C             6.74138             4.78682             2.77869
     C             4.47622             0.05842             3.37918
     C             3.79474             0.28340             2.10990
     C             4.71655             0.99047             1.19996
     C             5.88577             1.29517             1.94915
     C             5.78652             0.71469             3.28140
     C             0.43761             1.42373             3.09912
     C             0.64832             2.06141             1.80040
     C             1.78396             1.40436             1.10113
     C             2.38039             0.49690             2.05885
     C             1.58424             0.46399             3.25960
     C             0.71562             5.68242             2.58339
     C             1.52052             5.58357             1.31576
     C             1.36884             4.23070             0.77996
     C             0.45980             3.47584             1.64337
     C             0.06796             4.34662             2.72910
     C             4.76824             6.64270             2.47749
     C             5.04922             5.84204             1.30373
     C             3.84710             5.55330             0.58042
     C             2.76999             6.19106             1.28190
     C             3.31034             6.88132             2.46122
     C             4.59532             3.34393             6.97728
     C             3.24731             2.68972             7.01972
     C             2.23448             3.76465             6.84065
     C             2.95518             4.96717             6.60028
     C             4.39380             4.80583             6.74505
     C             6.23596             1.40389             4.45075
     C             5.47029             1.43101             5.63148
     C             5.66156             2.73162             6.25523
     C             6.57230             3.60074             5.54290
     C             7.07716             2.70942             4.29498
     C             2.20374             0.30828             4.51112
     C             1.83603             1.08311             5.66889
     C             3.06303             1.37619             6.47547
     C             4.22169             0.76221             5.72086
     C             3.66459             0.09783             4.55107
     C            -0.09507             3.75031             4.01491
     C             0.44678             4.43724             5.20755
     C             1.04075             3.44619             6.10729
     C             0.85046             2.10001             5.50504
     C             0.12956             2.26422             4.21170
     C             2.56644             7.00240             3.65682
     C             3.27162             6.79400             4.91749
     C             2.40212             5.99216             5.78545
     C             1.14215             5.71504             5.05218
     C             1.20901             6.36786             3.74194
     C             6.49760             5.53277             3.89817
     C             6.38431             4.94210             5.23305
     C             5.24743             5.61462             5.93096
     C             4.68584             6.60189             4.96413
     C             5.45342             6.51210             3.72904
     C             8.49818             3.43940             2.79905
     C             8.27051             3.45488             4.38147
     C             9.57158             3.52978             2.04744
     H             9.49519             3.46809             0.98512
     C            10.62703             3.51233             2.81450
     H            11.54566             3.50151             2.26159
     C            10.65480             3.50201             4.22439
     H            11.60385             3.49671             4.74535
     C             9.51107             3.51207             4.99716
     H             9.55233             3.48119             6.07793
           70
 Energy:   -453.8442286378275    
     C             4.72638             3.31136             0.04549
     C             4.14676             1.94361             0.28451
     C             2.64649             2.16711             0.13914
     C             2.40328             3.65281            -0.02855
     C             3.71143             4.32446            -0.02049
     C             6.67352             3.28033             2.88518
     C             6.38827             2.52810             1.56438
     C             5.89277             3.62873             0.75113
     C             6.03897             4.87393             1.36419
     C             6.66830             4.78266             2.65992
     C             4.47367             0.08789             3.35779
     C             3.81689             0.23474             2.05684
     C             4.65739             1.03540             1.22399
     C             5.93157             1.27102             1.88440
     C             5.81071             0.69237             3.27404
     C             0.50225             1.40858             3.12721
     C             0.64753             2.06257             1.77188
     C             1.84142             1.47602             1.12573
     C             2.42578             0.50697             2.06609
     C             1.53201             0.40737             3.24309
     C             0.76611             5.64948             2.61043
     C             1.49604             5.61196             1.35284
     C             1.36363             4.25019             0.76249
     C             0.47416             3.48940             1.63783
     C             0.12965             4.34307             2.78790
     C             4.76969             6.62762             2.53141
     C             5.11714             5.93248             1.28446
     C             3.86162             5.61919             0.57916
     C             2.76849             6.30640             1.28919
     C             3.34652             6.87000             2.51328
     C             4.54802             3.29788             6.98034
     C             3.26316             2.65240             7.06109
     C             2.27359             3.63088             6.77121
     C             2.94647             4.96743             6.63357
     C             4.39602             4.76697             6.76415
     C             6.24540             1.34979             4.42802
     C             5.48308             1.50420             5.65171
     C             5.65835             2.74448             6.34350
     C             6.53911             3.61283             5.56622
     C             6.83775             2.57499             4.30368
     C             2.25688             0.28662             4.49959
     C             1.88041             1.14001             5.68358
     C             3.09338             1.39640             6.42697
     C             4.24062             0.77104             5.75533
     C             3.70471             0.07872             4.54884
     C             0.02830             3.69124             4.04282
     C             0.53413             4.42088             5.21671
     C             1.02162             3.39938             6.14613
     C             0.82399             2.10149             5.56562
     C             0.17230             2.24843             4.27622
     C             2.61148             6.94781             3.71399
     C             3.28856             6.77654             4.97742
     C             2.39842             5.96968             5.81416
     C             1.09800             5.72016             5.10598
     C             1.29982             6.35886             3.76572
     C             6.49567             5.50833             3.87777
     C             6.39720             5.00474             5.27186
     C             5.26896             5.58951             5.90456
     C             4.69801             6.56797             5.01339
     C             5.46817             6.54453             3.76494
     C             8.26386             3.46390             2.93300
     C             8.27269             3.48479             4.33869
     C             9.33721             3.54073             1.84781
     H             9.37941             3.58076             0.77150
     C            10.50775             3.54387             2.85013
     H            11.58113             3.51283             2.56148
     C            10.29627             3.52478             4.24093
     H            11.24242             3.48126             4.75166
     C             9.23335             3.54799             5.16196
     H             9.39066             3.45864             6.21712
           70
 Energy:   -454.1648013585013    
     C             4.65898             3.32413            -0.08678
     C             4.05815             2.02301             0.19697
     C             2.63902             2.21134             0.12480
     C             2.40892             3.68249             0.02777
     C             3.65185             4.39677            -0.06536
     C             6.70207             3.21793             2.85218
     C             6.27689             2.60840             1.60388
     C             5.86596             3.60593             0.60922
     C             6.09966             4.97934             1.29192
     C             6.55720             4.76014             2.63463
     C             4.48024             0.04198             3.30674
     C             3.78400             0.22715             2.07085
     C             4.59786             0.98018             1.14181
     C             5.88865             1.20913             1.77994
     C             5.79321             0.66875             3.23391
     C             0.53806             1.46725             3.12181
     C             0.69272             2.09281             1.79477
     C             1.87296             1.52765             1.13316
     C             2.39761             0.46380             2.00990
     C             1.62649             0.38447             3.27286
     C             0.81437             5.61313             2.66739
     C             1.53008             5.64028             1.38354
     C             1.33704             4.32175             0.71862
     C             0.49770             3.49269             1.62465
     C             0.19848             4.29032             2.82270
     C             4.78580             6.69588             2.52551
     C             5.11597             5.99370             1.25637
     C             3.88572             5.70589             0.53387
     C             2.76873             6.33928             1.29665
     C             3.35585             6.90293             2.52490
     C             4.59431             3.35606             7.03323
     C             3.30743             2.62989             7.05419
     C             2.28764             3.65035             6.79666
     C             2.90324             4.92844             6.69409
     C             4.36653             4.74214             6.74360
     C             6.17623             1.21485             4.49354
     C             5.44254             1.38195             5.72063
     C             5.70796             2.73078             6.38205
     C             6.48930             3.55651             5.54783
     C             6.66278             2.71280             4.30484
     C             2.26858             0.27748             4.53714
     C             1.92315             1.12554             5.64076
     C             3.14217             1.38941             6.41299
     C             4.22895             0.77625             5.74816
     C             3.77144             0.08331             4.56985
     C             0.11794             3.68604             4.08641
     C             0.58423             4.39233             5.23808
     C             1.05430             3.39337             6.17897
     C             0.81974             2.02731             5.60671
     C             0.22911             2.25205             4.26557
     C             2.64639             6.93043             3.74106
     C             3.28573             6.73279             5.04953
     C             2.36305             5.96482             5.87222
     C             1.16067             5.72766             5.12332
     C             1.31762             6.27793             3.78853
     C             6.48543             5.53148             3.82666
     C             6.42371             4.93308             5.28909
     C             5.22739             5.57373             5.97995
     C             4.69197             6.57133             5.05874
     C             5.44021             6.58141             3.80640
     C             8.11271             3.56818             2.71136
     C             8.03642             3.42483             4.33366
     C             9.13155             3.55533             1.98665
     H             9.20185             3.62842             0.93347
     C            10.36590             3.57337             2.84025
     H            11.38015             3.58010             2.35890
     C            10.27744             3.57770             4.34556
     H            11.28146             3.46642             4.77558
     C             9.18056             3.60454             5.28225
     H             9.18578             3.51358             6.39224
           70
 Energy:   -454.9152783877219    
     C             4.71111             3.37340            -0.15148
     C             4.03710             2.01758             0.09813
     C             2.58792             2.31518             0.25689
     C             2.33496             3.72152             0.05640
     C             3.64879             4.45389            -0.14930
     C             6.59017             3.20813             2.82281
     C             6.15103             2.55330             1.59358
     C             5.92988             3.62173             0.62563
     C             6.12334             5.01799             1.25304
     C             6.42234             4.78025             2.69053
     C             4.46056            -0.04058             3.29363
     C             3.73905             0.22826             2.00591
     C             4.55669             0.93837             0.94991
     C             5.78730             1.26551             1.73293
     C             5.77092             0.61342             3.16620
     C             0.64543             1.46133             3.12240
     C             0.79946             2.14604             1.82709
     C             1.84827             1.47275             1.11450
     C             2.34724             0.41442             1.97302
     C             1.65983             0.48226             3.24458
     C             0.86876             5.55825             2.67642
     C             1.56513             5.64575             1.39323
     C             1.29663             4.37683             0.73049
     C             0.52263             3.52674             1.61322
     C             0.28028             4.26493             2.79689
     C             4.81584             6.80444             2.48114
     C             5.11083             6.06837             1.19226
     C             3.85534             5.76645             0.47221
     C             2.81419             6.31512             1.30256
     C             3.34283             6.97170             2.50228
     C             4.67462             3.32247             7.09914
     C             3.35607             2.68005             7.03206
     C             2.28994             3.65356             6.94378
     C             2.92282             4.94857             6.73346
     C             4.33099             4.79119             6.76542
     C             6.18771             1.31218             4.44479
     C             5.56066             1.30137             5.84850
     C             5.67314             2.59979             6.46569
     C             6.35436             3.51763             5.54948
     C             6.54516             2.68435             4.26965
     C             2.35510             0.23755             4.49958
     C             1.94301             1.06392             5.67887
     C             3.11937             1.38972             6.43078
     C             4.21749             0.69561             5.76079
     C             3.75493             0.05758             4.52523
     C             0.14625             3.70666             4.08116
     C             0.61624             4.38619             5.28573
     C             1.10191             3.34576             6.20269
     C             0.88242             2.01633             5.58730
     C             0.28966             2.26044             4.26648
     C             2.64088             6.90818             3.77081
     C             3.28252             6.73361             5.06432
     C             2.38582             5.97988             5.96336
     C             1.20736             5.62527             5.14150
     C             1.36788             6.24706             3.83369
     C             6.41705             5.53168             3.89462
     C             6.34079             4.91300             5.28007
     C             5.28121             5.57724             5.98642
     C             4.70041             6.58521             5.10959
     C             5.43039             6.58464             3.79791
     C             8.16754             3.61108             2.77775
     C             8.06639             3.38709             4.21877
     C             9.25840             3.64282             2.09250
     H             9.29741             3.50348             1.04541
     C            10.30947             3.61288             2.93664
     H            11.28046             3.62221             2.46908
     C            10.43190             3.63977             4.36487
     H            11.44568             3.57897             4.81971
     C             9.05226             3.60647             5.05733
     H             8.96802             3.69667             6.16989
           70
 Energy:   -453.8707501357573    
     C             4.75046             3.42649            -0.17001
     C             4.01844             2.03475             0.04270
     C             2.62555             2.35975             0.31686
     C             2.38371             3.81104             0.02184
     C             3.65608             4.46129            -0.21096
     C             6.52062             3.29355             2.78850
     C             6.14960             2.61087             1.56815
     C             5.87784             3.67721             0.64679
     C             6.03423             4.97356             1.34520
     C             6.43436             4.76939             2.71243
     C             4.42872            -0.05735             3.17421
     C             3.73428             0.13404             1.87833
     C             4.52820             0.90294             0.87596
     C             5.64859             1.24926             1.75499
     C             5.73330             0.65547             3.16376
     C             0.70755             1.56171             3.15171
     C             0.80470             2.15241             1.85851
     C             1.79222             1.45516             1.07276
     C             2.34185             0.38713             1.94016
     C             1.69572             0.48875             3.22971
     C             0.94414             5.59169             2.69709
     C             1.54856             5.64169             1.41088
     C             1.27574             4.38699             0.72015
     C             0.53886             3.51780             1.63430
     C             0.28259             4.30487             2.83727
     C             4.81189             6.89194             2.46998
     C             5.17099             6.11581             1.11038
     C             3.86429             5.76489             0.44029
     C             2.77859             6.32641             1.31441
     C             3.34461             7.01173             2.49199
     C             4.57777             3.30859             7.16289
     C             3.31846             2.63480             7.09083
     C             2.28995             3.65927             7.04485
     C             2.94107             4.98911             6.84548
     C             4.48123             4.77239             6.87050
     C             6.11659             1.27951             4.38205
     C             5.63721             1.15955             5.76769
     C             5.73201             2.60398             6.50609
     C             6.31152             3.46772             5.46234
     C             6.63276             2.69486             4.24020
     C             2.29641             0.26320             4.45654
     C             1.90965             0.97555             5.68298
     C             3.16683             1.37028             6.45015
     C             4.30968             0.61370             5.83453
     C             3.77857             0.00079             4.50987
     C             0.13571             3.67871             4.09909
     C             0.60821             4.30546             5.31737
     C             1.15030             3.31124             6.25088
     C             0.98082             2.04542             5.54230
     C             0.33609             2.27273             4.26639
     C             2.66496             6.91461             3.75389
     C             3.30301             6.78688             5.09509
     C             2.40158             5.99649             5.94826
     C             1.25838             5.60851             5.18966
     C             1.38467             6.18749             3.84981
     C             6.29200             5.44079             3.92434
     C             6.22562             4.85582             5.25795
     C             5.23900             5.62205             6.00912
     C             4.70443             6.63883             5.09637
     C             5.38924             6.64044             3.80416
     C             8.10808             3.62773             2.74646
     C             7.99825             3.29273             4.17285
     C             9.37526             3.72941             2.14052
     H             9.60912             3.62912             1.07469
     C            10.68929             3.69321             3.06448
     H            11.65971             3.58867             2.61653
     C            10.38193             3.70057             4.42608
     H            11.16162             3.83903             5.16594
     C             9.18300             3.60088             4.78934
     H             9.04116             3.79294             5.86340
           70
 Energy:   -454.9842652624958    
     C             4.66801             3.41052            -0.20173
     C             4.06987             2.07438             0.07790
     C             2.63861             2.37736             0.21319
     C             2.42521             3.78272             0.01604
     C             3.70615             4.50507            -0.21696
     C             6.64465             3.23097             2.80600
     C             6.11375             2.60641             1.55108
     C             5.77212             3.70913             0.67735
     C             5.94543             4.99237             1.38466
     C             6.46679             4.79050             2.68667
     C             4.39833            -0.04513             3.15125
     C             3.72170            -0.00246             1.77600
     C             4.52330             0.92953             0.89671
     C             5.69021             1.35929             1.75994
     C             5.59341             0.73509             3.08014
     C             0.76323             1.56672             3.14503
     C             0.72166             2.14676             1.81475
     C             1.80695             1.52928             1.03829
     C             2.34130             0.38772             1.85098
     C             1.68268             0.47642             3.20195
     C             0.89679             5.57902             2.72522
     C             1.53581             5.66897             1.39725
     C             1.32884             4.38307             0.69891
     C             0.52830             3.54643             1.69099
     C             0.23823             4.33076             2.88691
     C             4.81543             6.92244             2.43675
     C             5.15523             6.13018             1.18289
     C             3.89194             5.78739             0.46115
     C             2.79416             6.34941             1.26980
     C             3.33798             7.00466             2.47042
     C             4.67059             3.22789             7.14700
     C             3.27377             2.57133             7.19940
     C             2.28727             3.67340             7.05202
     C             3.02274             5.01419             6.97518
     C             4.43411             4.77152             7.03314
     C             6.10662             1.24220             4.33020
     C             5.60521             1.17206             5.70078
     C             5.73661             2.60357             6.42082
     C             6.28114             3.48578             5.46561
     C             6.67875             2.58616             4.23313
     C             2.33591             0.23506             4.50916
     C             2.00073             1.00332             5.69648
     C             3.20537             1.24297             6.45848
     C             4.33232             0.49480             5.78885
     C             3.75337            -0.05335             4.48266
     C             0.10540             3.70193             4.16308
     C             0.63426             4.36630             5.35837
     C             1.15935             3.32912             6.25211
     C             1.03531             2.02692             5.56349
     C             0.38121             2.28480             4.29634
     C             2.67829             6.94422             3.77777
     C             3.27975             6.86649             5.08027
     C             2.49829             5.95336             5.98330
     C             1.25587             5.59495             5.19533
     C             1.45356             6.19287             3.88332
     C             6.15967             5.43733             3.85634
     C             6.10760             4.83402             5.19166
     C             5.21274             5.58333             6.03778
     C             4.69508             6.71736             5.14301
     C             5.40302             6.63113             3.79538
     C             8.23695             3.63986             2.56462
     C             8.13329             3.20896             4.01323
     C             9.69190             3.79826             2.30177
     H             9.80753             3.99512             1.21222
     C            10.82291             3.77613             3.01092
     H            11.79812             3.72741             2.59097
     C            10.59337             3.80364             4.39724
     H            11.25576             4.06500             5.20901
     C             9.13425             3.57994             4.91266
     H             8.87327             3.68854             6.00602
           70
 Energy:   -456.8093433435101    
     C             4.68774             3.40729            -0.14249
     C             4.04162             2.06316             0.10680
     C             2.62545             2.32065             0.09899
     C             2.39263             3.79017             0.00868
     C             3.65745             4.52447            -0.18964
     C             6.93776             3.27272             2.67929
     C             6.12534             2.67787             1.56753
     C             5.70049             3.70573             0.72180
     C             5.95407             5.00597             1.34634
     C             6.47087             4.70931             2.67039
     C             4.32000            -0.08094             3.15417
     C             3.71330             0.00832             1.75711
     C             4.57943             1.00193             0.95396
     C             5.66584             1.34571             1.71525
     C             5.51959             0.81022             3.06491
     C             0.70816             1.52843             3.13137
     C             0.71933             2.16637             1.76505
     C             1.83812             1.56739             1.00934
     C             2.29753             0.39178             1.79871
     C             1.73455             0.44511             3.19908
     C             0.85148             5.63521             2.73964
     C             1.53864             5.69268             1.40267
     C             1.34956             4.36234             0.80506
     C             0.49907             3.57793             1.67014
     C             0.18989             4.30887             2.90183
     C             4.78032             6.90694             2.49276
     C             5.05410             6.10834             1.29323
     C             3.89106             5.83407             0.48901
     C             2.78338             6.37090             1.25887
     C             3.31879             7.01233             2.49146
     C             4.68682             3.18269             7.18173
     C             3.40384             2.48415             7.21940
     C             2.33821             3.64294             7.06290
     C             2.95259             4.95479             7.02958
     C             4.45513             4.74213             7.08900
     C             6.10596             1.24327             4.27726
     C             5.50049             1.23805             5.65535
     C             5.62622             2.51450             6.27336
     C             6.32764             3.43958             5.34146
     C             6.85510             2.61738             4.21436
     C             2.33577             0.18860             4.45336
     C             2.07636             1.04961             5.66468
     C             3.25798             1.17060             6.55692
     C             4.29226             0.45265             5.71494
     C             3.75591            -0.12160             4.45350
     C             0.08659             3.74568             4.21816
     C             0.61773             4.40274             5.39427
     C             1.17637             3.38887             6.25875
     C             1.05612             2.05778             5.63957
     C             0.41688             2.28219             4.31451
     C             2.67107             6.97577             3.76615
     C             3.31077             6.89473             5.15173
     C             2.54762             5.93912             6.02252
     C             1.37958             5.64560             5.23392
     C             1.44073             6.21571             3.86327
     C             6.15044             5.42472             3.84025
     C             6.01054             4.80109             5.11576
     C             5.15097             5.55285             6.07907
     C             4.73225             6.74412             5.18178
     C             5.33648             6.65837             3.77117
     C             8.56494             3.54940             2.59248
     C             8.41307             3.11099             3.96488
     C             9.80998             3.91974             2.14351
     H            10.08275             4.29797             1.10847
     C            10.87359             3.84840             3.12992
     H            11.86155             4.03764             2.72140
     C            10.65341             3.89892             4.49103
     H            11.60077             4.10266             4.96684
     C             9.35155             3.56805             5.00399
     H             8.96015             3.51931             6.02483
           70
 Energy:   -456.0475623921756    
     C             4.60851             3.43682            -0.05559
     C             4.01502             2.07004             0.05289
     C             2.55442             2.30458             0.06640
     C             2.30498             3.78171            -0.00088
     C             3.60172             4.49202            -0.14372
     C             7.33743             3.37318             2.60957
     C             6.30056             2.67163             1.61040
     C             5.76455             3.72981             0.75948
     C             5.96648             4.98553             1.41473
     C             6.50718             4.72184             2.65660
     C             4.36799            -0.06399             3.09009
     C             3.68353             0.17151             1.77748
     C             4.47404             0.99952             0.91385
     C             5.68279             1.41515             1.80491
     C             5.53834             0.77979             3.11309
     C             0.64311             1.51605             3.10937
     C             0.77372             2.17156             1.80526
     C             1.77698             1.49832             0.99882
     C             2.31876             0.39743             1.81382
     C             1.67390             0.46450             3.12100
     C             0.80452             5.67379             2.72910
     C             1.50784             5.66900             1.47159
     C             1.36273             4.37208             0.86966
     C             0.45702             3.54232             1.68189
     C             0.15629             4.35748             2.88338
     C             4.67238             6.85476             2.54471
     C             5.05387             6.04269             1.31182
     C             3.78852             5.80364             0.50068
     C             2.70646             6.43348             1.33710
     C             3.25957             7.06526             2.52885
     C             4.72106             3.18662             7.13134
     C             3.42008             2.47415             7.21178
     C             2.39954             3.48994             7.09866
     C             2.99540             4.89462             6.99923
     C             4.45808             4.66401             7.04171
     C             6.12550             1.35574             4.25939
     C             5.43700             1.23962             5.45473
     C             5.55686             2.58308             6.12785
     C             6.28853             3.36887             5.27414
     C             7.19158             2.66698             4.08109
     C             2.30871             0.22304             4.45054
     C             2.03349             1.03355             5.63527
     C             3.24782             1.14769             6.55468
     C             4.27610             0.48252             5.71724
     C             3.70523            -0.18367             4.46079
     C             0.10244             3.72059             4.18353
     C             0.64587             4.45243             5.42366
     C             1.22781             3.37827             6.32931
     C             1.08542             2.11055             5.60582
     C             0.39675             2.31375             4.34101
     C             2.66191             7.01380             3.83421
     C             3.33875             6.89566             5.19174
     C             2.54077             5.97197             6.05734
     C             1.36392             5.61340             5.21652
     C             1.41601             6.25478             3.93613
     C             6.14743             5.40518             3.81638
     C             5.98554             4.70000             5.12701
     C             5.16751             5.51383             6.02544
     C             4.74534             6.68975             5.18748
     C             5.34631             6.60778             3.84962
     C             8.86057             3.38766             2.58430
     C             8.71983             3.00343             4.15026
     C             9.93803             4.00317             2.05821
     H             9.99695             4.40237             1.00822
     C            10.90353             4.02171             3.13968
     H            11.95876             4.18108             2.88688
     C            10.73496             3.96393             4.58944
     H            11.35692             4.16195             5.51299
     C             9.55188             3.46562             4.97150
     H             9.45374             3.47980             6.00958
           70
 Energy:   -457.2249524037156    
     C             4.60799             3.45319             0.05746
     C             3.94243             2.11252             0.00597
     C             2.45544             2.30474             0.08803
     C             2.25391             3.75372            -0.00013
     C             3.52121             4.45684            -0.06060
     C             7.46826             3.35689             2.66871
     C             6.55723             2.69343             1.58742
     C             5.82244             3.66591             0.77115
     C             5.91957             4.95542             1.45968
     C             6.73345             4.77185             2.69591
     C             4.39186            -0.01587             3.15246
     C             3.70174             0.25249             1.87025
     C             4.55331             1.13958             0.94240
     C             5.67537             1.50376             1.82409
     C             5.65506             0.76502             3.08123
     C             0.63523             1.55502             3.14559
     C             0.73426             2.17346             1.84804
     C             1.70083             1.45798             0.96809
     C             2.27200             0.44684             1.86261
     C             1.57511             0.46740             3.18969
     C             0.77221             5.68737             2.83423
     C             1.47497             5.68162             1.54780
     C             1.28856             4.37266             0.85269
     C             0.48218             3.57264             1.74223
     C             0.10712             4.38409             2.91011
     C             4.69015             6.77794             2.57781
     C             4.96107             6.03271             1.33092
     C             3.70872             5.75936             0.59032
     C             2.63375             6.45044             1.37876
     C             3.21394             7.11578             2.62361
     C             4.71501             3.15802             6.97134
     C             3.42879             2.43672             7.19805
     C             2.39382             3.54109             7.12139
     C             3.06790             4.83371             6.93247
     C             4.50282             4.64656             6.88559
     C             6.23933             1.46172             4.12724
     C             5.44234             1.37623             5.38188
     C             5.55921             2.55753             6.02020
     C             6.37535             3.36282             5.11703
     C             7.30557             2.59532             4.10809
     C             2.24044             0.26515             4.39471
     C             1.96256             1.01919             5.66477
     C             3.16410             1.19316             6.43274
     C             4.28418             0.48452             5.63497
     C             3.67131            -0.16208             4.40401
     C             0.14436             3.77532             4.19182
     C             0.66914             4.33181             5.41057
     C             1.21702             3.29980             6.30064
     C             1.09776             2.08616             5.51821
     C             0.36842             2.31684             4.27149
     C             2.60115             7.06241             3.93114
     C             3.31418             6.87142             5.19979
     C             2.49264             5.92850             6.07932
     C             1.30902             5.63446             5.26431
     C             1.38031             6.29817             3.95257
     C             6.18305             5.32354             3.86472
     C             6.07443             4.69606             5.06812
     C             5.21673             5.40303             5.96935
     C             4.72265             6.58247             5.20427
     C             5.34702             6.51553             3.83271
     C             9.10455             3.23047             2.60280
     C             8.84078             2.88477             4.00870
     C            10.16972             4.00552             2.22681
     H            10.17778             4.42014             1.22188
     C            11.10672             4.32800             3.14641
     H            12.13987             4.47167             2.76342
     C            10.92349             4.04613             4.51677
     H            11.81702             4.59882             5.05940
     C             9.77048             3.34328             5.16802
     H             9.47503             3.26030             6.21404
           70
 Energy:   -458.3312827513173    
     C             4.58389             3.43778             0.09757
     C             3.92754             2.12162             0.13011
     C             2.44788             2.29252             0.08224
     C             2.17518             3.78335             0.05662
     C             3.51587             4.46730             0.07179
     C             7.54427             3.29596             2.70262
     C             6.61747             2.64108             1.49223
     C             5.86850             3.68182             0.82451
     C             5.96634             4.93907             1.50567
     C             6.90036             4.79716             2.64409
     C             4.44674             0.07393             3.16955
     C             3.70588             0.33941             1.90892
     C             4.55439             1.26728             1.06841
     C             5.84033             1.56759             1.74363
     C             5.75417             0.83294             2.96596
     C             0.60274             1.57766             3.12617
     C             0.61587             2.20411             1.82671
     C             1.60697             1.51295             1.01247
     C             2.25756             0.45079             1.94085
     C             1.52244             0.47278             3.20058
     C             0.74379             5.67318             2.87584
     C             1.38316             5.71471             1.56391
     C             1.17275             4.44007             0.86494
     C             0.45826             3.59436             1.81677
     C             0.10240             4.38986             2.99238
     C             4.64742             6.76422             2.60585
     C             4.90653             5.93335             1.42706
     C             3.65556             5.73948             0.72186
     C             2.62436             6.43687             1.45184
     C             3.26342             7.10462             2.67127
     C             4.68447             3.12972             6.80270
     C             3.40222             2.43686             7.09882
     C             2.33848             3.57980             7.07701
     C             3.05174             4.87124             6.84151
     C             4.48026             4.53322             6.76602
     C             6.28915             1.34931             4.13729
     C             5.47123             1.30283             5.26025
     C             5.69002             2.64071             5.92226
     C             6.53194             3.37432             5.14454
     C             7.30158             2.53602             4.17780
     C             2.23169             0.20168             4.43797
     C             1.92726             0.95411             5.58290
     C             3.20099             1.21687             6.32207
     C             4.27659             0.61332             5.51059
     C             3.65626            -0.01672             4.37428
     C             0.11870             3.73722             4.22345
     C             0.70583             4.34419             5.39812
     C             1.22222             3.26717             6.22776
     C             0.98373             2.02374             5.49508
     C             0.35326             2.37248             4.26091
     C             2.54926             7.10689             3.95455
     C             3.27792             6.76342             5.27861
     C             2.47185             5.87028             6.06988
     C             1.21642             5.61287             5.35998
     C             1.28255             6.31732             4.06220
     C             6.33835             5.37239             3.78144
     C             6.24775             4.68950             5.06243
     C             5.28411             5.36958             5.86994
     C             4.68566             6.47710             5.13175
     C             5.31649             6.40477             3.80548
     C             9.24753             3.18143             2.63846
     C             8.99745             2.77830             4.09001
     C            10.36959             3.99905             2.33067
     H            10.42821             4.27708             1.29904
     C            11.36693             4.53643             3.18374
     H            12.21830             5.29861             3.02258
     C            11.09497             4.14800             4.54231
     H            11.84541             4.42221             5.42758
     C            10.01899             3.26528             4.99272
     H             9.76436             3.03446             6.05026
           70
 Energy:   -456.7662385350490    
     C             4.56608             3.48133             0.14673
     C             3.92613             2.19049             0.30036
     C             2.42549             2.33188             0.16609
     C             2.16257             3.83874             0.14804
     C             3.48049             4.45927             0.16790
     C             7.71401             3.22964             2.66513
     C             6.62975             2.72884             1.44278
     C             5.82308             3.73845             0.79028
     C             6.06150             4.94636             1.49486
     C             6.94374             4.74457             2.56505
     C             4.48595             0.20458             3.06410
     C             3.69238             0.46601             1.93302
     C             4.50250             1.27853             1.16710
     C             5.89859             1.41451             1.62825
     C             5.79989             0.80836             2.97312
     C             0.49044             1.55376             3.11988
     C             0.51999             2.20772             1.82158
     C             1.62071             1.53128             1.05624
     C             2.26795             0.52379             1.89897
     C             1.52182             0.47114             3.18570
     C             0.70047             5.71325             2.92298
     C             1.30206             5.82305             1.57918
     C             1.08815             4.48089             0.89906
     C             0.31578             3.64451             1.81752
     C             0.12614             4.38432             3.03029
     C             4.64697             6.71883             2.64107
     C             4.94675             5.82037             1.55831
     C             3.67954             5.67887             0.84068
     C             2.58603             6.40723             1.56800
     C             3.17253             7.06106             2.69551
     C             4.65666             3.09341             6.66618
     C             3.36619             2.49017             6.89846
     C             2.35698             3.48301             6.96997
     C             3.01513             4.79685             6.83372
     C             4.43822             4.55924             6.61616
     C             6.45137             1.18598             4.13974
     C             5.53642             1.32471             5.30242
     C             5.71015             2.52421             5.91429
     C             6.76209             3.40393             5.27468
     C             7.45053             2.49629             4.14187
     C             2.21214             0.08470             4.36070
     C             1.91260             0.95351             5.60597
     C             3.17490             1.25304             6.26640
     C             4.24582             0.78602             5.43269
     C             3.72408             0.10178             4.27358
     C             0.03727             3.75412             4.27127
     C             0.63549             4.33286             5.42517
     C             1.19399             3.27027             6.19867
     C             0.90033             1.96144             5.57007
     C             0.28046             2.29310             4.28712
     C             2.51265             7.06523             4.01535
     C             3.28473             6.69990             5.20175
     C             2.41963             5.87164             6.06244
     C             1.18042             5.67278             5.40072
     C             1.16452             6.35567             4.12069
     C             6.54597             5.48304             3.75777
     C             6.47098             4.80151             5.03473
     C             5.29451             5.31031             5.84522
     C             4.64616             6.33426             5.04491
     C             5.32214             6.37538             3.77949
     C             9.30942             3.27485             2.71644
     C             9.04344             2.75648             4.12510
     C            10.56162             3.99096             2.32619
     H            10.77161             4.19060             1.29538
     C            11.43004             4.61679             3.35262
     H            11.80586             5.60127             3.03031
     C            11.27947             4.17382             4.63440
     H            11.75067             4.48947             5.54530
     C            10.23266             3.21541             4.73713
     H            10.44429             2.83721             5.75848
           70
 Energy:   -455.5362958640958    
     C             4.52051             3.54827             0.23307
     C             3.84780             2.29858             0.35161
     C             2.43581             2.46319             0.33432
     C             2.14906             3.84239             0.25367
     C             3.45431             4.50901             0.19816
     C             7.72217             3.25128             2.58796
     C             6.58929             2.64915             1.45482
     C             5.84893             3.71932             0.75604
     C             6.06951             4.96599             1.43005
     C             6.99352             4.70136             2.62129
     C             4.45887             0.25142             3.08215
     C             3.67608             0.54022             1.93427
     C             4.54952             1.29904             1.02044
     C             5.95969             1.40361             1.58920
     C             5.88315             0.69334             2.95136
     C             0.40857             1.44973             3.14229
     C             0.48594             2.19980             1.82062
     C             1.60051             1.60875             1.05504
     C             2.25246             0.62570             1.88680
     C             1.48920             0.46244             3.09154
     C             0.60192             5.76798             2.95721
     C             1.23319             5.84353             1.62510
     C             1.05829             4.53265             0.91285
     C             0.19778             3.65820             1.75339
     C             0.07083             4.41030             3.05450
     C             4.61367             6.67390             2.69868
     C             4.93016             5.84319             1.57542
     C             3.67501             5.62163             0.95326
     C             2.60442             6.34328             1.56169
     C             3.15348             7.00814             2.78835
     C             4.65020             3.13960             6.56953
     C             3.39161             2.49130             6.74251
     C             2.36136             3.45824             6.84407
     C             2.97455             4.76421             6.79297
     C             4.43464             4.50956             6.56501
     C             6.60362             1.17740             4.18942
     C             5.67038             1.28850             5.30305
     C             5.85002             2.63973             5.99614
     C             6.90182             3.35253             5.33159
     C             7.60093             2.45293             4.11861
     C             2.24313             0.13018             4.32654
     C             1.86832             0.86589             5.59806
     C             3.14198             1.25927             6.16727
     C             4.26237             0.82732             5.33948
     C             3.72616             0.14145             4.24087
     C            -0.04248             3.69287             4.27237
     C             0.51301             4.34782             5.48788
     C             1.11421             3.22999             6.27236
     C             0.87893             1.94231             5.61697
     C             0.10464             2.23012             4.37309
     C             2.44735             6.99151             3.98478
     C             3.28221             6.61138             5.12163
     C             2.43316             5.88468             6.11118
     C             1.07303             5.66054             5.40282
     C             1.14790             6.44262             4.11015
     C             6.69334             5.52820             3.75938
     C             6.64905             4.79530             5.15534
     C             5.35402             5.29623             5.75277
     C             4.66507             6.22800             4.96840
     C             5.47185             6.43494             3.81063
     C             9.45362             3.47703             2.67397
     C             9.14836             2.86812             3.95386
     C            10.66990             3.96737             2.40855
     H            11.02382             4.08041             1.41646
     C            11.34046             4.69452             3.36252
     H            11.95214             5.59237             3.19821
     C            11.37613             4.13740             4.65426
     H            11.94162             4.64517             5.29062
     C            10.44693             3.07337             4.84842
     H            10.51567             2.17170             5.50702
           70
 Energy:   -453.8584094643030    
     C             4.51096             3.58400             0.24458
     C             3.86609             2.32411             0.30845
     C             2.42143             2.56239             0.44815
     C             2.12641             3.98168             0.31751
     C             3.42585             4.55204             0.17970
     C             7.75141             3.24922             2.57382
     C             6.65826             2.63753             1.50927
     C             5.87548             3.65666             0.79311
     C             6.09835             4.95764             1.51742
     C             6.96253             4.77120             2.60538
     C             4.47458             0.20639             3.05837
     C             3.73395             0.57636             1.82834
     C             4.58669             1.24884             0.91318
     C             5.91439             1.39689             1.64217
     C             5.98438             0.66426             2.92739
     C             0.31727             1.44390             3.16391
     C             0.39852             2.23473             1.86619
     C             1.54028             1.70544             1.10685
     C             2.25526             0.68233             1.87897
     C             1.47937             0.42673             3.13118
     C             0.49304             5.78640             2.93020
     C             1.26685             5.79567             1.64106
     C             0.99536             4.54571             0.93991
     C             0.16192             3.64950             1.78393
     C            -0.10253             4.38725             3.04833
     C             4.67459             6.69416             2.74000
     C             4.92818             5.90619             1.54478
     C             3.62221             5.69179             0.94600
     C             2.56002             6.34099             1.64580
     C             3.21700             6.93079             2.73559
     C             4.73368             3.10818             6.54166
     C             3.40259             2.47186             6.68437
     C             2.34554             3.50115             6.79245
     C             3.04423             4.79346             6.71772
     C             4.46992             4.55973             6.56440
     C             6.60870             1.21550             4.11437
     C             5.76038             1.36294             5.35678
     C             5.97965             2.58992             5.98307
     C             7.00093             3.37654             5.28539
     C             7.72469             2.51005             4.06919
     C             2.22617             0.25297             4.27185
     C             1.82163             0.84060             5.52741
     C             3.22981             1.23374             6.08581
     C             4.36224             0.75844             5.35662
     C             3.67066             0.10370             4.22284
     C            -0.13299             3.64702             4.28808
     C             0.37261             4.29569             5.51836
     C             0.98729             3.20490             6.33011
     C             0.79605             1.88088             5.58955
     C            -0.00978             2.14282             4.38826
     C             2.49384             6.94170             3.98181
     C             3.27814             6.49334             5.12426
     C             2.35595             5.86286             6.05204
     C             1.03369             5.67125             5.43225
     C             1.06927             6.39066             4.12649
     C             6.75311             5.46746             3.87844
     C             6.71239             4.75185             5.20343
     C             5.37033             5.21832             5.79442
     C             4.75119             6.25486             4.95461
     C             5.58998             6.50680             3.79438
     C             9.34796             3.64959             2.54012
     C             9.36357             2.99365             3.93975
     C            10.72127             4.03470             2.32127
     H            11.17736             3.87384             1.34647
     C            11.33319             4.73665             3.42166
     H            12.07845             5.47578             3.17717
     C            11.34375             4.06008             4.66075
     H            12.09104             4.25519             5.38591
     C            10.47837             2.87792             4.92376
     H            10.91462             2.06174             5.59838
           70
 Energy:   -454.6305990810195    
     C             4.59162             3.60024             0.18024
     C             3.89580             2.29145             0.23473
     C             2.38788             2.60545             0.42599
     C             2.12029             4.00395             0.29018
     C             3.46574             4.64283             0.16033
     C             7.70882             3.37755             2.57337
     C             6.66400             2.64266             1.52370
     C             5.84059             3.74222             0.91829
     C             6.00706             4.94685             1.58586
     C             7.01087             4.75076             2.68690
     C             4.50515             0.11888             2.92495
     C             3.69722             0.45357             1.79387
     C             4.60959             1.25532             0.94521
     C             5.93780             1.43268             1.62740
     C             5.88885             0.70197             2.95556
     C             0.27404             1.43396             3.13336
     C             0.33532             2.23907             1.94162
     C             1.55146             1.76715             1.21871
     C             2.25065             0.67916             1.89652
     C             1.42100             0.52004             3.08933
     C             0.40528             5.71463             2.93704
     C             1.20104             5.76199             1.72800
     C             0.96278             4.52018             1.00095
     C             0.13038             3.66520             1.86241
     C            -0.27641             4.38775             3.04978
     C             4.78386             6.76180             2.64255
     C             4.99696             5.91140             1.49816
     C             3.67084             5.84481             0.80905
     C             2.55832             6.34039             1.67050
     C             3.26915             6.95788             2.82575
     C             4.78658             3.09120             6.63172
     C             3.42657             2.50381             6.68058
     C             2.34897             3.48716             6.78466
     C             3.03259             4.75781             6.70188
     C             4.53496             4.48403             6.60887
     C             6.62115             1.34702             4.05250
     C             5.78552             1.26917             5.22341
     C             5.99745             2.56416             5.95549
     C             7.02148             3.36125             5.25044
     C             7.78245             2.55396             4.07000
     C             2.25494             0.25968             4.27687
     C             1.91753             0.98519             5.51755
     C             3.20225             1.21275             6.11970
     C             4.49839             0.63243             5.38746
     C             3.77343             0.08160             4.15324
     C            -0.28624             3.62828             4.29009
     C             0.29806             4.27709             5.51540
     C             0.96279             3.17735             6.30278
     C             0.70585             1.82805             5.61493
     C            -0.03996             2.15707             4.34626
     C             2.53163             6.85314             3.98034
     C             3.32780             6.48065             5.11074
     C             2.39395             5.74683             5.98100
     C             0.97394             5.58658             5.43488
     C             1.05781             6.29967             4.09712
     C             6.72114             5.44838             3.86975
     C             6.62295             4.76051             5.14941
     C             5.45101             5.29566             5.81685
     C             4.80626             6.32986             5.09557
     C             5.62280             6.46785             3.85025
     C             9.37112             3.75982             2.54909
     C             9.32996             2.94384             4.00993
     C            10.63750             4.18267             2.17961
     H            11.34525             3.97675             1.34990
     C            11.39652             4.62501             3.46332
     H            12.04274             5.47298             3.36330
     C            11.32603             3.91521             4.70756
     H            12.17378             3.99492             5.47626
     C            10.45633             2.90437             4.73471
     H            10.53596             2.20101             5.60023
           70
 Energy:   -455.6906085948198    
     C             4.58120             3.62074             0.12384
     C             3.89214             2.32403             0.20844
     C             2.43741             2.53042             0.32529
     C             2.15432             3.98987             0.26011
     C             3.51225             4.65222             0.07016
     C             7.71431             3.42756             2.61744
     C             6.60610             2.75892             1.52699
     C             5.77114             3.73424             0.95372
     C             6.01616             4.96140             1.69918
     C             6.93165             4.80285             2.68508
     C             4.51764             0.01657             2.94729
     C             3.67119             0.34499             1.72097
     C             4.53578             1.29976             0.97855
     C             5.94577             1.46034             1.60897
     C             5.81416             0.83872             2.85485
     C             0.27203             1.45628             3.14857
     C             0.40650             2.25224             1.91228
     C             1.61652             1.83520             1.22513
     C             2.22019             0.68009             1.89871
     C             1.48002             0.53521             3.17292
     C             0.38377             5.67883             3.04659
     C             1.19799             5.76075             1.77540
     C             1.03307             4.47518             1.06129
     C             0.04909             3.62614             1.87089
     C            -0.37352             4.40027             3.08544
     C             4.82430             6.82354             2.69126
     C             5.02522             6.02880             1.46116
     C             3.76660             5.93783             0.71866
     C             2.62453             6.38017             1.61669
     C             3.30780             6.97430             2.78961
     C             4.83186             3.01976             6.69250
     C             3.48245             2.44215             6.75813
     C             2.33129             3.37310             6.77551
     C             3.09056             4.64240             6.74212
     C             4.56255             4.50078             6.67125
     C             6.55614             1.34968             3.93444
     C             5.81093             1.28603             5.20008
     C             5.93226             2.49537             5.91819
     C             6.88371             3.37244             5.26108
     C             7.63708             2.59943             4.04587
     C             2.30418             0.26795             4.26307
     C             2.00730             1.05176             5.44813
     C             3.32613             1.21824             6.17893
     C             4.44828             0.54420             5.36942
     C             3.81563             0.04426             4.17983
     C            -0.42720             3.64851             4.32461
     C             0.28830             4.23246             5.48925
     C             1.02374             3.17584             6.24453
     C             0.76575             1.88661             5.60096
     C            -0.05544             2.17855             4.35100
     C             2.49978             6.77976             4.00534
     C             3.33945             6.50002             5.16879
     C             2.46973             5.65119             5.94175
     C             1.02594             5.47926             5.36403
     C             1.15133             6.20732             4.11753
     C             6.62002             5.49636             3.85818
     C             6.55449             4.71726             5.07861
     C             5.46472             5.32256             5.97305
     C             4.80567             6.44959             5.14257
     C             5.51801             6.45971             3.84577
     C             9.36233             3.71772             2.64822
     C             9.17058             2.94850             3.81147
     C            10.60816             4.35068             2.34370
     H            10.83517             4.48418             1.20219
     C            11.48544             4.49145             3.39569
     H            12.02819             5.40151             3.41559
     C            11.41749             3.80389             4.57292
     H            12.11265             4.23169             5.47592
     C            10.30690             2.86925             4.69274
     H            10.27115             2.20611             5.56371
           70
 Energy:   -457.0688857267134    
     C             4.54071             3.62350             0.14081
     C             3.90137             2.34817             0.21501
     C             2.48023             2.54774             0.24103
     C             2.22534             3.98333             0.24251
     C             3.52080             4.67042             0.00006
     C             7.63057             3.47359             2.54773
     C             6.54776             2.77928             1.54082
     C             5.71937             3.82656             0.92104
     C             5.89710             5.05029             1.54382
     C             6.84990             4.88063             2.69473
     C             4.51417             0.04232             2.95457
     C             3.66537             0.33717             1.73163
     C             4.50525             1.32059             0.92315
     C             5.80465             1.58087             1.51933
     C             5.78557             0.81401             2.80389
     C             0.37421             1.49534             3.17985
     C             0.48042             2.24518             1.89947
     C             1.67981             1.77078             1.15090
     C             2.25202             0.67372             1.89532
     C             1.53409             0.51445             3.16422
     C             0.49443             5.69825             3.03716
     C             1.33832             5.74150             1.76973
     C             1.09388             4.44257             1.11542
     C             0.06605             3.64926             1.81821
     C            -0.37714             4.37314             3.08555
     C             4.65651             6.85637             2.71821
     C             5.09744             6.17627             1.50488
     C             3.76894             5.88502             0.70028
     C             2.64987             6.43192             1.53098
     C             3.23065             6.95778             2.76188
     C             4.83596             3.04845             6.72874
     C             3.58796             2.31590             6.91799
     C             2.44172             3.29166             6.82524
     C             3.10441             4.58113             6.74544
     C             4.56656             4.43144             6.78110
     C             6.44346             1.32971             3.94600
     C             5.66965             1.21872             5.21498
     C             5.87553             2.50345             5.94487
     C             6.73246             3.34015             5.20190
     C             7.45075             2.62325             3.98698
     C             2.39574             0.29394             4.28271
     C             2.08132             1.03231             5.47634
     C             3.38398             1.13081             6.13380
     C             4.44595             0.60738             5.35885
     C             3.75970            -0.06628             4.21020
     C            -0.46600             3.63882             4.39276
     C             0.37892             4.23083             5.50742
     C             1.09151             3.17098             6.19430
     C             0.95939             1.94390             5.45268
     C            -0.06957             2.16406             4.40570
     C             2.57271             6.79056             3.96938
     C             3.31430             6.52003             5.22240
     C             2.47135             5.55200             6.02219
     C             1.23834             5.36556             5.37256
     C             1.23247             6.14137             4.16694
     C             6.49537             5.50512             3.90069
     C             6.45022             4.75205             5.16107
     C             5.42088             5.38911             6.00575
     C             4.76849             6.44165             5.20752
     C             5.43880             6.52191             3.91130
     C             9.26601             3.72033             2.60219
     C             9.08459             2.86519             3.84795
     C            10.44210             4.41980             2.46171
     H            10.42421             5.42386             1.86675
     C            11.60811             4.46828             3.29803
     H            12.48039             5.14460             3.13019
     C            11.37097             3.62445             4.42307
     H            11.94266             3.81218             5.44706
     C            10.17698             2.84643             4.72365
     H            10.21011             2.25813             5.58795
           70
 Energy:   -457.3582154230561    
     C             4.53720             3.64644             0.13259
     C             3.87300             2.34994             0.16125
     C             2.43345             2.56616             0.25366
     C             2.18805             3.99856             0.22209
     C             3.51328             4.67948             0.04286
     C             7.50163             3.49619             2.55340
     C             6.40309             2.85895             1.45626
     C             5.73149             3.91491             0.81726
     C             5.98472             5.20033             1.50890
     C             6.73177             4.94150             2.62642
     C             4.44668             0.09538             2.90647
     C             3.70757             0.45317             1.76433
     C             4.47046             1.25204             0.86185
     C             5.70665             1.58771             1.60641
     C             5.76846             0.75442             2.79539
     C             0.48707             1.51718             3.14792
     C             0.51732             2.25666             1.89878
     C             1.65874             1.68152             1.05844
     C             2.32460             0.62367             1.86170
     C             1.58416             0.54511             3.10598
     C             0.64958             5.65777             2.95254
     C             1.42678             5.67621             1.74170
     C             1.21423             4.48289             1.04507
     C             0.23291             3.64550             1.80637
     C            -0.25347             4.38225             3.07211
     C             4.60590             6.85244             2.77250
     C             4.91636             6.25109             1.43250
     C             3.73771             5.92668             0.74208
     C             2.59569             6.40248             1.52094
     C             3.14268             6.98688             2.73806
     C             4.85455             2.99690             6.84445
     C             3.59482             2.22241             7.00722
     C             2.53534             3.22654             6.92981
     C             3.13875             4.54260             6.82196
     C             4.56110             4.47802             6.82279
     C             6.33903             1.31725             4.00709
     C             5.63471             1.27920             5.21152
     C             5.82446             2.46020             5.93163
     C             6.62037             3.39883             5.11973
     C             7.32852             2.60699             3.91589
     C             2.33173             0.22922             4.26285
     C             2.11937             0.99270             5.48259
     C             3.37440             1.10761             6.21642
     C             4.38434             0.54150             5.31672
     C             3.85248            -0.09842             4.18069
     C            -0.35836             3.63925             4.40247
     C             0.52826             4.20014             5.55218
     C             1.30389             3.09286             6.21019
     C             1.09863             1.94428             5.39315
     C             0.05364             2.13113             4.37806
     C             2.55292             6.80256             4.05429
     C             3.28655             6.50308             5.28080
     C             2.55755             5.61748             6.08069
     C             1.31491             5.34378             5.35811
     C             1.30080             6.11774             4.14686
     C             6.37659             5.49373             3.91026
     C             6.36764             4.78047             5.22796
     C             5.29374             5.34514             6.05191
     C             4.65896             6.40456             5.28828
     C             5.33253             6.59874             3.98760
     C             9.12300             3.69935             2.59753
     C             8.89215             2.82240             3.91300
     C            10.27894             4.64353             2.48164
     H             9.92179             5.67274             2.29197
     C            11.53381             4.28093             3.24316
     H            12.60351             4.49778             2.98113
     C            11.30058             3.47231             4.38221
     H            12.25940             3.24581             4.89153
     C            10.08654             2.82625             4.67937
     H             9.99803             2.38762             5.60622
           70
 Energy:   -458.1467032310622    
     C             4.50595             3.68986             0.05392
     C             3.84707             2.32614             0.09321
     C             2.40504             2.53356             0.24217
     C             2.21979             3.97842             0.13403
     C             3.46091             4.69106             0.13666
     C             7.31496             3.50307             2.54459
     C             6.33426             2.92157             1.46416
     C             5.74867             4.05620             0.68544
     C             5.96802             5.32343             1.37508
     C             6.69506             4.97244             2.70190
     C             4.48685             0.10510             2.88535
     C             3.66666             0.48684             1.72855
     C             4.50845             1.31373             0.84651
     C             5.75961             1.61544             1.63106
     C             5.72606             0.77872             2.86376
     C             0.55040             1.51755             3.07783
     C             0.59750             2.23312             1.81499
     C             1.58271             1.64292             1.00352
     C             2.26151             0.63632             1.77173
     C             1.63985             0.53903             3.08871
     C             0.74149             5.57440             2.96610
     C             1.40423             5.67371             1.69805
     C             1.16662             4.47140             0.97379
     C             0.41453             3.64193             1.83254
     C            -0.00442             4.37057             3.06475
     C             4.58004             6.88416             2.74120
     C             4.90796             6.20807             1.47079
     C             3.58550             5.96464             0.72273
     C             2.56739             6.42214             1.63070
     C             3.11511             7.04700             2.85504
     C             4.90280             2.93259             6.97149
     C             3.58966             2.24436             7.05487
     C             2.53743             3.26455             7.02911
     C             3.11758             4.59092             6.95701
     C             4.56107             4.35830             6.91462
     C             6.33513             1.31268             3.95419
     C             5.57984             1.26740             5.20292
     C             5.79962             2.54647             5.93615
     C             6.53109             3.39838             5.13012
     C             7.16664             2.58776             3.95857
     C             2.36035             0.08395             4.23577
     C             2.12250             0.85661             5.42755
     C             3.35459             1.00596             6.23795
     C             4.45340             0.49504             5.40414
     C             3.74550            -0.08024             4.10555
     C            -0.08389             3.62636             4.34324
     C             0.68575             4.09512             5.57174
     C             1.42039             3.06261             6.20744
     C             1.14600             1.87130             5.49462
     C             0.30994             2.19153             4.31624
     C             2.51030             6.86871             4.10033
     C             3.25513             6.58839             5.31360
     C             2.51717             5.60523             6.15168
     C             1.26641             5.39734             5.39861
     C             1.31330             6.08225             4.10224
     C             6.27192             5.54514             3.91097
     C             6.29127             4.78443             5.13082
     C             5.26628             5.31497             6.03081
     C             4.64939             6.43116             5.30658
     C             5.26570             6.54819             4.00219
     C             8.97204             3.75226             2.63910
     C             8.83094             2.92318             3.82017
     C            10.07348             4.69083             2.62796
     H            10.03805             5.69542             2.26048
     C            11.23396             4.07717             3.13154
     H            12.17742             4.24965             2.55014
     C            11.26082             3.27676             4.29610
     H            12.00086             2.69416             4.66785
     C             9.95846             2.78654             4.68701
     H             9.86734             2.37128             5.66542
           70
 Energy:   -457.9119218795950    
     C             4.48316             3.74185            -0.02645
     C             3.91719             2.37762             0.05178
     C             2.43741             2.49663             0.10577
     C             2.12112             3.92402             0.12345
     C             3.37839             4.68441             0.11626
     C             7.18196             3.56733             2.57480
     C             6.34769             2.99385             1.45680
     C             5.75004             4.01693             0.60933
     C             5.97958             5.29834             1.38717
     C             6.62963             5.00793             2.62616
     C             4.40517             0.08601             2.86846
     C             3.68026             0.44200             1.63750
     C             4.54728             1.41562             0.89566
     C             5.79531             1.69098             1.56044
     C             5.72825             0.89108             2.78590
     C             0.62839             1.50953             3.08296
     C             0.57193             2.19926             1.79448
     C             1.60478             1.64828             0.89006
     C             2.24782             0.58703             1.70471
     C             1.61746             0.45734             3.01226
     C             0.75555             5.56097             3.00462
     C             1.30453             5.76020             1.68715
     C             1.10138             4.48962             0.88176
     C             0.43189             3.56529             1.85116
     C             0.25868             4.20769             3.07654
     C             4.55751             6.91180             2.78447
     C             4.83098             6.25731             1.48901
     C             3.59617             5.98182             0.81543
     C             2.51518             6.52776             1.71872
     C             3.16045             7.09004             2.87700
     C             4.85565             2.92873             7.00985
     C             3.57091             2.17920             7.04776
     C             2.50368             3.28222             7.10277
     C             3.11288             4.62917             7.09150
     C             4.60487             4.40487             6.98545
     C             6.35999             1.34582             4.02136
     C             5.61900             1.26609             5.23433
     C             5.74814             2.48639             5.97516
     C             6.53662             3.41684             5.12973
     C             7.20144             2.67249             3.99869
     C             2.33248             0.05416             4.19201
     C             2.08668             0.68038             5.51937
     C             3.33876             0.97432             6.25566
     C             4.41015             0.39737             5.36949
     C             3.84953            -0.09139             4.16282
     C             0.28949             3.58154             4.28400
     C             0.74286             4.11366             5.46689
     C             1.38780             3.02694             6.25035
     C             1.14423             1.74582             5.51008
     C             0.52662             2.20297             4.27078
     C             2.47795             6.94877             4.15127
     C             3.20748             6.66146             5.42759
     C             2.43352             5.65648             6.21521
     C             1.21720             5.40446             5.50912
     C             1.28796             6.10176             4.22756
     C             6.25715             5.54619             3.86243
     C             6.20922             4.72790             5.04458
     C             5.26738             5.26087             6.02865
     C             4.64235             6.47471             5.29302
     C             5.21285             6.53125             3.91914
     C             8.69948             3.94616             2.68029
     C             8.68070             2.92743             3.84212
     C             9.82743             4.56710             2.72577
     H             9.94484             5.41038             2.17645
     C            11.04456             3.92359             3.05984
     H            11.86688             4.09853             2.35802
     C            11.05257             3.00483             4.10121
     H            12.00062             2.72373             4.45435
     C             9.79873             2.76978             4.68051
     H             9.60355             2.17535             5.60092
           70
 Energy:   -456.4092627444209    
     C             4.50365             3.79375            -0.05630
     C             3.95286             2.44934             0.01847
     C             2.47857             2.49313            -0.03431
     C             2.09258             3.95597             0.09059
     C             3.34545             4.76006             0.06705
     C             6.97892             3.62961             2.60137
     C             6.40123             2.96262             1.37212
     C             5.74144             4.02961             0.64374
     C             5.82341             5.28967             1.36522
     C             6.57214             5.04809             2.56037
     C             4.48844             0.15802             2.83052
     C             3.76616             0.44024             1.56482
     C             4.49859             1.46213             0.85091
     C             5.75674             1.75036             1.55381
     C             5.77618             0.97852             2.80552
     C             0.70639             1.42717             3.02744
     C             0.57916             2.10940             1.75628
     C             1.66503             1.58664             0.84007
     C             2.33761             0.48618             1.59309
     C             1.63765             0.33713             2.93543
     C             0.74270             5.56149             3.09704
     C             1.22287             5.86309             1.69374
     C             0.99744             4.54760             0.91257
     C             0.37985             3.56652             1.74246
     C             0.45487             4.17402             3.06534
     C             4.55427             6.93459             2.75473
     C             4.88189             6.27524             1.48970
     C             3.54987             5.92254             0.89547
     C             2.48847             6.56028             1.62502
     C             3.06393             7.15048             2.92933
     C             4.79341             2.95963             6.91754
     C             3.51629             2.18713             7.03848
     C             2.48422             3.19195             7.12301
     C             3.10983             4.66104             7.12312
     C             4.56929             4.51242             7.01838
     C             6.36165             1.37546             3.98355
     C             5.62743             1.16032             5.28901
     C             5.78873             2.44925             6.01094
     C             6.52728             3.34085             5.23618
     C             7.08084             2.68140             3.99827
     C             2.38793             0.03820             4.21290
     C             2.02079             0.58914             5.60927
     C             3.36928             0.90860             6.25250
     C             4.44899             0.47213             5.38228
     C             3.84726            -0.15313             4.11632
     C             0.58471             3.46244             4.22315
     C             0.82148             4.07717             5.53764
     C             1.27306             2.98084             6.34704
     C             1.14748             1.72879             5.56332
     C             0.65587             2.06218             4.27221
     C             2.47283             6.98855             4.26065
     C             3.23171             6.69758             5.51517
     C             2.48693             5.75162             6.38743
     C             1.23153             5.45303             5.56791
     C             1.20710             6.20417             4.30019
     C             6.24289             5.51033             3.79859
     C             6.17441             4.70859             5.03589
     C             5.23342             5.31243             5.97940
     C             4.60701             6.42465             5.31785
     C             5.25800             6.55976             3.99021
     C             8.52451             3.93283             2.95134
     C             8.54799             2.96103             3.90300
     C             9.79140             4.60363             2.57135
     H             9.78354             5.56123             2.10308
     C            10.86906             3.78947             2.94823
     H            11.87378             3.97976             2.64036
     C            10.81498             2.80897             3.94943
     H            11.75970             2.42997             4.44554
     C             9.64732             2.61655             4.59015
     H             9.71994             2.19363             5.64579
           70
 Energy:   -454.5049534000710    
     C             4.47075             3.84479            -0.05452
     C             3.90035             2.48102            -0.05318
     C             2.40997             2.56798            -0.02239
     C             2.09557             4.09111             0.03877
     C             3.40029             4.78604             0.03766
     C             6.99769             3.58423             2.61342
     C             6.40341             2.98004             1.32061
     C             5.68028             4.07493             0.61468
     C             5.79465             5.28161             1.37981
     C             6.46912             5.06420             2.56698
     C             4.60285             0.20114             2.81600
     C             3.85127             0.44371             1.57483
     C             4.53897             1.46766             0.76652
     C             5.71565             1.75738             1.54902
     C             5.74108             0.99483             2.77494
     C             0.74305             1.27498             2.96642
     C             0.68608             2.10785             1.62632
     C             1.74899             1.52910             0.78189
     C             2.41305             0.39581             1.53469
     C             1.80357             0.21087             2.89486
     C             0.77748             5.63868             3.09241
     C             1.16937             5.88596             1.71616
     C             1.02272             4.60680             0.84983
     C             0.34896             3.52426             1.74517
     C             0.50278             4.16226             3.08128
     C             4.51578             7.00039             2.83166
     C             4.72003             6.27929             1.46584
     C             3.51532             5.93755             0.86362
     C             2.43059             6.56958             1.63822
     C             3.00473             7.16307             2.92976
     C             4.75590             3.00971             6.82281
     C             3.53461             2.20792             6.95678
     C             2.44019             3.22809             7.13742
     C             3.03431             4.60228             7.12312
     C             4.52300             4.44250             6.92053
     C             6.30582             1.33212             4.00569
     C             5.74768             1.15543             5.27131
     C             5.81176             2.39625             6.10658
     C             6.48816             3.37915             5.27160
     C             6.88941             2.67337             4.03598
     C             2.38879            -0.03647             4.19690
     C             2.11856             0.59170             5.59739
     C             3.35556             0.89900             6.29736
     C             4.42396             0.45332             5.33026
     C             3.87195            -0.08014             4.07992
     C             0.72380             3.42358             4.24116
     C             0.90892             4.03604             5.57353
     C             1.22831             2.90509             6.48852
     C             1.13469             1.64486             5.68502
     C             0.72377             1.96079             4.27064
     C             2.44760             7.01453             4.30303
     C             3.25911             6.71580             5.52668
     C             2.46429             5.81348             6.47034
     C             1.27213             5.44195             5.67314
     C             1.18985             6.28454             4.37068
     C             6.19474             5.54058             3.89727
     C             6.19459             4.69419             5.11659
     C             5.21105             5.30149             5.99921
     C             4.62871             6.42949             5.28643
     C             5.25433             6.63224             4.00283
     C             8.56149             4.06795             2.99028
     C             8.38148             2.90417             4.05411
     C             9.64566             4.47951             2.46557
     H             9.87293             5.45033             1.96666
     C            10.79601             3.72512             2.82360
     H            11.71251             4.17794             2.51907
     C            10.70738             2.69073             3.82878
     H            11.65200             1.97882             3.98034
     C             9.50805             2.39074             4.55527
     H             9.49511             1.97158             5.62658
           70
 Energy:   -454.2324049035649    
     C             4.42908             3.80626            -0.08259
     C             3.85258             2.48278            -0.09180
     C             2.39965             2.66035             0.03041
     C             2.11049             4.13451            -0.01204
     C             3.36591             4.84704             0.02695
     C             7.08020             3.57610             2.61152
     C             6.33363             3.06285             1.36565
     C             5.68603             4.08051             0.60444
     C             5.75272             5.36855             1.44081
     C             6.41506             4.96014             2.73313
     C             4.51708             0.14568             2.80286
     C             3.88715             0.41072             1.52960
     C             4.56556             1.44207             0.70357
     C             5.79242             1.79527             1.47039
     C             5.76024             0.98785             2.73728
     C             0.81169             1.22425             2.93078
     C             0.77732             2.03807             1.68802
     C             1.80631             1.55732             0.74205
     C             2.49979             0.38531             1.52841
     C             1.82036             0.18838             2.84126
     C             0.74592             5.60638             3.12517
     C             1.19463             5.84966             1.69642
     C             1.03522             4.62396             0.87383
     C             0.48620             3.55262             1.74916
     C             0.45980             4.17839             3.13561
     C             4.42632             7.01199             2.80593
     C             4.70015             6.28523             1.56176
     C             3.39393             6.07213             0.79367
     C             2.39018             6.58607             1.70344
     C             3.00693             7.13521             2.94548
     C             4.75225             2.91478             6.80942
     C             3.51586             2.24350             6.89065
     C             2.47649             3.18945             7.21265
     C             3.03810             4.60833             7.09131
     C             4.40274             4.33718             6.77684
     C             6.27555             1.35306             3.98965
     C             5.67671             1.11046             5.36799
     C             5.85594             2.40419             6.10384
     C             6.41153             3.38892             5.27640
     C             6.80979             2.72044             4.00462
     C             2.49087            -0.08160             4.14949
     C             2.19894             0.57934             5.55630
     C             3.45680             0.94104             6.25125
     C             4.50506             0.44656             5.34897
     C             3.95015             0.02631             4.08319
     C             0.71641             3.42482             4.28150
     C             0.93717             3.97337             5.55795
     C             1.22249             2.89947             6.49913
     C             1.10956             1.50576             5.66415
     C             0.71628             1.96914             4.26708
     C             2.44266             7.05465             4.27259
     C             3.21672             6.71553             5.50933
     C             2.44633             5.76055             6.43219
     C             1.22683             5.42713             5.65591
     C             1.20825             6.19867             4.42469
     C             6.21596             5.56980             3.92951
     C             6.21022             4.80894             5.19416
     C             5.18434             5.28836             6.05717
     C             4.61127             6.50034             5.35636
     C             5.21616             6.66585             3.99453
     C             8.46796             4.02999             3.04101
     C             8.32882             2.94887             4.03492
     C             9.68999             4.36148             2.39700
     H             9.64201             5.11765             1.47701
     C            10.76334             3.67162             2.79625
     H            11.75399             3.80212             2.36743
     C            10.64455             2.58116             3.65950
     H            11.53820             1.84203             3.61899
     C             9.45344             2.23922             4.48890
     H             9.42808             1.33738             5.20186
           70
 Energy:   -456.1760030147808    
     C             4.49309             3.88479            -0.08271
     C             3.90459             2.47776            -0.04095
     C             2.45654             2.63850             0.03216
     C             2.05965             4.10285             0.02283
     C             3.31972             4.92631            -0.01112
     C             6.95872             3.63770             2.61206
     C             6.31463             3.07527             1.39262
     C             5.65841             4.18669             0.68101
     C             5.71831             5.30124             1.55916
     C             6.36107             4.97368             2.73951
     C             4.59186             0.19716             2.72549
     C             3.89460             0.36028             1.41322
     C             4.58695             1.42352             0.65986
     C             5.81483             1.74233             1.42012
     C             5.78425             0.92770             2.71912
     C             0.85669             1.33498             3.02820
     C             0.81056             2.11190             1.80840
     C             1.79471             1.61471             0.83895
     C             2.45295             0.46756             1.47539
     C             1.82840             0.21317             2.86602
     C             0.69287             5.52478             3.14341
     C             1.18963             5.81780             1.81288
     C             1.09139             4.56221             0.93574
     C             0.66877             3.51154             1.86235
     C             0.38536             4.12003             3.11545
     C             4.42572             6.94785             2.85513
     C             4.70398             6.33635             1.56665
     C             3.47947             6.17045             0.78620
     C             2.36460             6.63766             1.70571
     C             2.96030             7.12667             2.95860
     C             4.72759             2.89027             6.84726
     C             3.51637             2.11415             6.93050
     C             2.43512             3.11907             7.21136
     C             3.01243             4.56138             7.04643
     C             4.45401             4.32120             6.70315
     C             6.23542             1.39818             3.99719
     C             5.80431             1.19180             5.32500
     C             5.83360             2.42835             6.07477
     C             6.38991             3.46355             5.21876
     C             6.89017             2.77955             3.96168
     C             2.57623            -0.02093             4.12470
     C             2.22566             0.51393             5.49191
     C             3.44888             0.96571             6.14398
     C             4.54139             0.42285             5.41039
     C             4.03515            -0.01050             4.07717
     C             0.55536             3.37840             4.25944
     C             0.88296             3.97005             5.56744
     C             1.29431             2.83973             6.43030
     C             1.12812             1.52484             5.54765
     C             0.67234             1.95111             4.23600
     C             2.38019             6.97421             4.28666
     C             3.14917             6.70717             5.53288
     C             2.42128             5.67918             6.30061
     C             1.21100             5.33156             5.58709
     C             1.21903             6.10430             4.29417
     C             6.21501             5.61562             3.99429
     C             6.23779             4.83962             5.23858
     C             5.13711             5.38539             6.06101
     C             4.57128             6.55148             5.44977
     C             5.17619             6.65536             4.04842
     C             8.58799             3.93948             3.00706
     C             8.43335             2.94781             4.04176
     C             9.66036             4.28992             2.35148
     H             9.58847             4.68306             1.24128
     C            10.81917             3.54663             2.77663
     H            11.73984             3.61931             2.15338
     C            10.57748             2.40953             3.58760
     H            11.36770             1.68224             3.69100
     C             9.48637             2.17025             4.23520
     H             9.39732             1.18006             4.59297
           70
 Energy:   -456.5104293965423    
     C             4.46445             4.00023            -0.05355
     C             4.01189             2.59402             0.00589
     C             2.48309             2.57415             0.05703
     C             2.13635             4.07024             0.06597
     C             3.35353             4.92844            -0.04991
     C             6.99350             3.72002             2.71120
     C             6.30248             3.02911             1.35017
     C             5.62309             4.16925             0.76783
     C             5.61081             5.33574             1.59063
     C             6.34900             5.11391             2.79511
     C             4.63270             0.14974             2.69182
     C             3.84284             0.37018             1.37009
     C             4.64516             1.39913             0.62978
     C             5.84071             1.70306             1.43085
     C             5.87916             0.99898             2.66448
     C             0.88621             1.36664             3.03008
     C             0.88864             2.17859             1.87971
     C             1.76813             1.69646             0.93348
     C             2.40842             0.49349             1.51089
     C             1.88436             0.34353             2.92084
     C             0.62864             5.43768             3.09484
     C             1.21351             5.77983             1.79350
     C             1.17797             4.49919             1.07982
     C             0.68814             3.53336             1.94337
     C             0.28867             4.07651             3.15468
     C             4.40206             6.91306             2.95730
     C             4.75618             6.36881             1.57501
     C             3.50855             6.17587             0.79486
     C             2.36989             6.65069             1.67423
     C             2.96915             7.13855             3.00428
     C             4.77175             2.92731             6.84355
     C             3.54564             2.06736             7.06569
     C             2.44458             3.05407             7.10822
     C             3.00449             4.44326             6.94238
     C             4.42328             4.36325             6.82629
     C             6.33381             1.49387             3.88976
     C             5.80613             1.21987             5.26463
     C             5.81059             2.51431             5.99851
     C             6.42560             3.50797             5.19834
     C             6.99443             2.80386             4.01840
     C             2.59448             0.01617             4.10676
     C             2.16468             0.58581             5.37640
     C             3.37725             0.87148             6.13220
     C             4.66785             0.42652             5.30588
     C             4.11141            -0.12397             3.98128
     C             0.27002             3.33577             4.31662
     C             0.73301             3.86811             5.51854
     C             1.29730             2.74136             6.27593
     C             1.24033             1.57672             5.48681
     C             0.58176             1.96709             4.29817
     C             2.33535             6.86145             4.24391
     C             3.07512             6.67581             5.53417
     C             2.39241             5.56113             6.25240
     C             1.22165             5.23490             5.44643
     C             1.16486             6.00555             4.27566
     C             6.17444             5.66816             4.01358
     C             6.20510             4.90966             5.22563
     C             5.18009             5.36523             6.09721
     C             4.50679             6.59175             5.42411
     C             5.13852             6.65772             4.15825
     C             8.52314             3.87346             2.84383
     C             8.47392             2.92096             3.98708
     C             9.78983             4.12755             2.29448
     H             9.88894             4.76721             1.35532
     C            10.85898             3.40927             2.65037
     H            11.87490             3.64342             2.23386
     C            10.78069             2.30625             3.45943
     H            11.59829             1.67912             3.51936
     C             9.44506             1.94258             4.07108
     H             9.17521             1.07477             4.60279
           70
 Energy:   -457.9489426358767    
     C             4.49353             3.94859            -0.00047
     C             3.98849             2.58207             0.01076
     C             2.58176             2.66334             0.09775
     C             2.21439             4.06501             0.15607
     C             3.38956             4.93989             0.00210
     C             7.02128             3.79864             2.67318
     C             6.37567             3.11245             1.47194
     C             5.59131             4.16505             0.80448
     C             5.69078             5.36224             1.61642
     C             6.40343             5.12952             2.79428
     C             4.72304             0.08810             2.62324
     C             3.88303             0.42221             1.43832
     C             4.67485             1.45686             0.62093
     C             5.90712             1.76997             1.35919
     C             5.85944             1.00052             2.63570
     C             0.86784             1.36668             3.08794
     C             0.89929             2.19863             1.90851
     C             1.87573             1.66038             0.89712
     C             2.47292             0.52199             1.59555
     C             1.93907             0.43656             2.90974
     C             0.57618             5.50625             3.08837
     C             1.26771             5.76576             1.73578
     C             1.32508             4.47179             1.09369
     C             0.55953             3.51329             1.94551
     C             0.12472             4.10937             3.18903
     C             4.37903             6.97471             2.94232
     C             4.67198             6.43903             1.66661
     C             3.45206             6.15043             0.79026
     C             2.40613             6.61042             1.70859
     C             2.94945             7.09224             2.97692
     C             4.81809             2.93712             6.89145
     C             3.61218             2.04089             7.05581
     C             2.47226             3.02870             6.94603
     C             2.96089             4.36051             6.86404
     C             4.42992             4.37197             6.97456
     C             6.45830             1.49945             3.86659
     C             5.76458             1.30723             5.11433
     C             5.79205             2.54781             5.91559
     C             6.49885             3.55708             5.24270
     C             7.03978             2.92875             4.02725
     C             2.64943            -0.00958             4.02672
     C             2.32872             0.64001             5.30428
     C             3.53705             0.77881             6.19994
     C             4.58487             0.39932             5.19887
     C             4.04994            -0.18245             3.96920
     C            -0.08300             3.27708             4.35420
     C             0.58544             3.81857             5.56195
     C             1.32070             2.79215             6.24326
     C             1.22400             1.59809             5.40376
     C             0.41227             1.88547             4.24780
     C             2.28890             6.81775             4.23490
     C             3.02244             6.56540             5.48410
     C             2.33622             5.43446             6.20767
     C             1.18943             5.05875             5.43430
     C             1.13196             5.96800             4.26854
     C             6.14789             5.75119             4.05398
     C             6.18585             4.88253             5.22411
     C             5.12660             5.39572             6.19689
     C             4.45736             6.49504             5.51341
     C             5.09265             6.73221             4.13394
     C             8.62976             3.77519             2.64875
     C             8.61122             2.82470             3.79592
     C             9.85092             4.03754             2.15096
     H             9.98473             5.00173             1.72940
     C            10.99110             3.25013             2.53979
     H            11.99765             3.68554             2.29543
     C            10.83543             2.10004             3.40565
     H            11.65998             1.53885             3.66090
     C             9.61140             1.79798             3.91337
     H             9.48785             0.90362             4.47617
           70
 Energy:   -456.9809396305422    
     C             4.56040             3.87126             0.03014
     C             4.00006             2.51796            -0.03634
     C             2.58213             2.67351             0.16411
     C             2.28335             4.08190             0.21799
     C             3.45923             4.91531             0.08241
     C             7.17729             3.82943             2.63722
     C             6.38692             3.21079             1.52563
     C             5.68268             4.22536             0.88666
     C             5.72072             5.49473             1.62837
     C             6.50267             5.19713             2.81628
     C             4.75475             0.07614             2.67314
     C             4.03804             0.48151             1.47677
     C             4.67679             1.50860             0.67810
     C             5.95800             1.87425             1.40398
     C             5.94559             0.98491             2.64333
     C             0.84547             1.34403             2.99069
     C             0.86172             2.13771             1.79331
     C             1.92704             1.69797             0.90008
     C             2.63919             0.60945             1.60137
     C             1.92856             0.39154             2.88501
     C             0.50028             5.56655             3.04774
     C             1.23493             5.72547             1.84831
     C             1.22920             4.45684             1.15341
     C             0.45334             3.52532             1.88528
     C            -0.12398             4.16679             3.10687
     C             4.31868             7.10712             2.93332
     C             4.68372             6.35376             1.60514
     C             3.49837             6.16403             0.85865
     C             2.36782             6.54256             1.73062
     C             2.85708             7.05265             2.99908
     C             4.85325             2.89748             6.95915
     C             3.67423             2.02751             6.90927
     C             2.54766             2.96651             6.83602
     C             3.02014             4.37371             6.91329
     C             4.45121             4.35430             7.02427
     C             6.44009             1.51353             3.82491
     C             5.63596             1.35436             5.00848
     C             5.76439             2.51606             5.90334
     C             6.57960             3.56391             5.25860
     C             7.24129             2.95491             3.91853
     C             2.65791             0.00567             4.03996
     C             2.41636             0.68683             5.31751
     C             3.65431             0.80630             6.20161
     C             4.65375             0.42590             5.13658
     C             4.10414            -0.18379             3.87147
     C            -0.30815             3.25814             4.35509
     C             0.37993             3.78811             5.59564
     C             1.27248             2.72406             6.17729
     C             1.23545             1.53596             5.37700
     C             0.21231             1.80948             4.27876
     C             2.28087             6.81109             4.26939
     C             2.99556             6.37648             5.49449
     C             2.30817             5.33444             6.14245
     C             1.07174             5.07098             5.41708
     C             1.07650             5.96069             4.29037
     C             6.17217             5.74036             4.04464
     C             6.11528             4.95209             5.33424
     C             5.11219             5.36276             6.24299
     C             4.38861             6.46025             5.48439
     C             5.04253             6.76734             4.20654
     C             8.75088             3.60323             2.48972
     C             8.73304             2.57839             3.58063
     C            10.05093             3.99041             2.01426
     H            10.27705             4.91676             1.65019
     C            11.06249             3.10616             2.47136
     H            12.11095             3.35600             2.28426
     C            10.96913             1.99161             3.23926
     H            11.78628             1.42085             3.66358
     C             9.69208             1.77433             3.82243
     H             9.49863             0.85500             4.36311
           70
 Energy:   -457.1320983390974    
     C             4.63865             3.96150             0.06839
     C             4.08980             2.54352            -0.03691
     C             2.60359             2.66644             0.13643
     C             2.20883             4.09679             0.33358
     C             3.51529             4.85840             0.18088
     C             7.37870             3.89063             2.59869
     C             6.41619             3.24332             1.51071
     C             5.71676             4.30071             0.85206
     C             5.84167             5.48330             1.64634
     C             6.65914             5.30168             2.83986
     C             4.89007             0.16802             2.64158
     C             4.08707             0.50563             1.47603
     C             4.82562             1.54068             0.76830
     C             5.93443             1.91856             1.53830
     C             6.09381             1.00126             2.61931
     C             0.69770             1.30203             2.90698
     C             0.74024             2.13085             1.69781
     C             1.92378             1.72713             0.97824
     C             2.69010             0.68618             1.61435
     C             1.92517             0.33429             2.85248
     C             0.32620             5.48842             3.11761
     C             1.16467             5.65973             1.89633
     C             1.12397             4.48749             1.11002
     C             0.32488             3.46093             1.82438
     C            -0.34267             4.13932             3.05825
     C             4.32948             7.11005             2.95400
     C             4.72066             6.49257             1.70203
     C             3.49559             6.07975             0.91382
     C             2.32122             6.47971             1.76188
     C             2.83467             7.10636             3.03730
     C             4.92823             2.85887             6.90897
     C             3.69771             2.07934             6.83497
     C             2.51702             2.94429             6.77680
     C             2.99570             4.30226             6.96421
     C             4.49852             4.31574             7.02037
     C             6.40866             1.66738             3.82453
     C             5.70145             1.48004             4.97442
     C             5.85329             2.55850             5.86874
     C             6.63196             3.55430             5.20554
     C             7.34625             2.79681             3.95342
     C             2.70045             0.03753             4.06130
     C             2.34542             0.66755             5.33476
     C             3.59885             0.85070             6.00677
     C             4.70825             0.41661             5.13812
     C             4.15704            -0.14031             3.93032
     C            -0.37228             3.26813             4.29294
     C             0.29529             3.79353             5.55781
     C             1.26084             2.67554             6.15980
     C             1.15977             1.46758             5.34919
     C             0.21900             1.72105             4.20060
     C             2.21029             6.72601             4.32538
     C             2.97019             6.31423             5.45001
     C             2.25774             5.22499             6.15496
     C             0.90436             5.08635             5.47011
     C             0.95296             6.00677             4.28457
     C             6.11707             5.75844             4.14233
     C             6.23883             4.89529             5.32390
     C             5.09323             5.38085             6.21232
     C             4.37746             6.40742             5.49343
     C             5.05119             6.71892             4.18037
     C             8.96358             3.53436             2.30410
     C             8.74127             2.46905             3.34437
     C            10.20272             3.84009             1.98759
     H            10.40819             4.59945             1.31911
     C            11.24496             3.04225             2.32690
     H            12.17560             3.36702             1.87008
     C            11.04328             1.89589             3.15163
     H            11.98495             1.24843             3.23655
     C             9.87910             1.58323             3.76281
     H             9.71940             0.79142             4.56673
           70
 Energy:   -457.5663927413541    
     C             4.58851             4.03009             0.06696
     C             4.19597             2.64631             0.05520
     C             2.65850             2.68476             0.13720
     C             2.25908             4.04614             0.32946
     C             3.38659             4.85698             0.31845
     C             7.56519             3.80160             2.66889
     C             6.53845             3.29102             1.51476
     C             5.82403             4.34765             0.86694
     C             5.89649             5.63173             1.70705
     C             6.78467             5.32026             2.87114
     C             4.95830             0.17273             2.69912
     C             4.09027             0.55537             1.48789
     C             4.85191             1.61655             0.73344
     C             6.03894             2.00412             1.55368
     C             6.13718             1.09340             2.66901
     C             0.61324             1.12883             2.86094
     C             0.63403             2.07732             1.71059
     C             1.93348             1.77367             0.93598
     C             2.62933             0.70076             1.67706
     C             1.89290             0.37811             2.85160
     C             0.20249             5.41440             3.11861
     C             1.05045             5.66649             1.92672
     C             0.99753             4.42383             1.07407
     C             0.11988             3.47344             1.75527
     C            -0.40269             3.99601             3.03495
     C             4.31958             7.05509             3.06980
     C             4.79411             6.51314             1.74340
     C             3.51874             6.06674             1.06496
     C             2.31973             6.44375             1.87589
     C             2.84087             7.11098             3.08280
     C             4.92005             2.91051             6.78453
     C             3.65941             2.03245             6.72893
     C             2.48023             2.88559             6.82154
     C             2.92786             4.26772             6.92337
     C             4.47298             4.29942             6.96801
     C             6.45435             1.68052             3.85010
     C             5.77029             1.44990             5.05958
     C             5.97789             2.63255             5.87617
     C             6.78052             3.55756             5.13620
     C             7.41807             2.86920             3.92533
     C             2.68807             0.03306             3.94635
     C             2.23512             0.57060             5.23747
     C             3.53818             0.96306             5.91476
     C             4.73213             0.55567             5.19346
     C             4.23678            -0.05437             3.91191
     C            -0.29794             3.16855             4.22655
     C             0.34481             3.71611             5.48763
     C             1.16796             2.72144             6.10559
     C             1.04832             1.45543             5.31218
     C             0.26673             1.79036             4.10668
     C             2.10802             6.68458             4.24055
     C             2.92459             6.25564             5.45465
     C             2.16317             5.25976             6.18878
     C             0.85016             5.11249             5.58057
     C             0.75900             5.96518             4.38513
     C             6.24846             5.72714             4.06302
     C             6.29855             4.89792             5.27744
     C             5.19469             5.27186             6.17047
     C             4.36889             6.36330             5.45441
     C             5.02490             6.63556             4.20681
     C             9.09231             3.46177             2.27478
     C             8.83612             2.35271             3.21411
     C            10.37248             3.74730             1.81569
     H            10.50374             4.54483             1.05219
     C            11.48224             2.91973             2.20893
     H            12.47081             2.92866             1.77476
     C            11.22305             1.82667             3.01680
     H            11.97482             0.90509             3.08442
     C             9.89007             1.55491             3.61378
     H             9.99156             0.85605             4.51222
           70
 Energy:   -459.6849786619464    
     C             4.63279             4.12904             0.17834
     C             4.12996             2.70500             0.08338
     C             2.70104             2.67926             0.19631
     C             2.16573             4.05143             0.33156
     C             3.40466             4.93282             0.38221
     C             7.58922             3.84475             2.62972
     C             6.64827             3.35977             1.51498
     C             5.84036             4.44689             0.89508
     C             5.99263             5.62040             1.69706
     C             6.84757             5.25386             2.80291
     C             4.92872             0.22085             2.66852
     C             4.10025             0.62264             1.53038
     C             4.86342             1.65678             0.76868
     C             6.09918             2.00601             1.47268
     C             6.07440             1.14021             2.69105
     C             0.60624             1.12491             2.85415
     C             0.59728             2.02508             1.66672
     C             1.88742             1.75327             0.92812
     C             2.64683             0.73501             1.62148
     C             1.88188             0.37108             2.81169
     C             0.16216             5.37034             3.15636
     C             1.03515             5.64926             1.90434
     C             0.97522             4.42020             1.05928
     C             0.05532             3.37557             1.69338
     C            -0.34796             3.96746             3.03323
     C             4.30518             7.02240             3.09665
     C             4.74996             6.47752             1.80035
     C             3.48935             6.07095             1.16851
     C             2.31627             6.42352             1.93021
     C             2.80137             7.02336             3.13641
     C             4.82588             2.92200             6.71499
     C             3.62359             2.10902             6.70751
     C             2.38199             2.90009             6.83490
     C             2.92832             4.31470             6.88507
     C             4.40132             4.29543             6.86621
     C             6.56850             1.62002             3.92167
     C             5.88256             1.44399             5.15288
     C             6.01666             2.62546             5.92026
     C             6.85756             3.60847             5.18323
     C             7.47143             2.88450             3.93115
     C             2.71010             0.00177             3.90771
     C             2.22756             0.56998             5.18327
     C             3.47816             0.93797             5.89217
     C             4.65036             0.62762             5.11661
     C             4.21094             0.00288             3.91517
     C            -0.18252             3.13822             4.19773
     C             0.38371             3.73246             5.42281
     C             1.18226             2.64512             6.10303
     C             1.05979             1.45662             5.27379
     C             0.26380             1.75923             4.07708
     C             2.04520             6.67254             4.30261
     C             2.88892             6.25785             5.42460
     C             2.13979             5.31552             6.25247
     C             0.80421             5.05492             5.61560
     C             0.68303             5.91896             4.39223
     C             6.31549             5.75517             4.07551
     C             6.36150             4.90360             5.22306
     C             5.18771             5.24258             6.12594
     C             4.35571             6.23693             5.46507
     C             5.09661             6.56673             4.21197
     C             9.13970             3.49524             2.26542
     C             8.84994             2.38643             3.27453
     C            10.38430             3.71986             1.81153
     H            10.57779             4.55742             1.13177
     C            11.43601             2.91597             2.19530
     H            12.41463             3.12524             1.76170
     C            11.16381             1.80251             3.02385
     H            12.02054             1.07814             3.17132
     C             9.94568             1.58151             3.59713
     H             9.75543             0.83569             4.40274
           70
 Energy:   -461.3097144722546    
     C             4.60976             4.11663             0.27920
     C             4.12235             2.74275             0.13291
     C             2.59210             2.74546             0.24872
     C             2.19257             4.12552             0.33163
     C             3.41129             4.92859             0.34765
     C             7.58338             3.87346             2.59372
     C             6.61133             3.34286             1.41413
     C             5.86092             4.40408             0.89250
     C             5.95924             5.62400             1.69060
     C             6.82720             5.31945             2.83705
     C             4.85407             0.32632             2.67275
     C             4.08132             0.70518             1.50421
     C             4.83505             1.70988             0.76896
     C             6.11307             2.02080             1.48733
     C             6.08051             1.16648             2.70808
     C             0.66728             1.19149             2.82587
     C             0.61310             1.98276             1.59418
     C             1.87478             1.72592             0.89301
     C             2.66510             0.72670             1.57355
     C             1.93292             0.31268             2.74967
     C             0.23635             5.36122             3.11301
     C             1.04606             5.61123             1.93042
     C             0.97111             4.42214             1.05159
     C             0.14807             3.37096             1.70120
     C            -0.27173             3.96884             3.01271
     C             4.30007             6.97985             3.12488
     C             4.73545             6.41517             1.85081
     C             3.45264             6.08057             1.15314
     C             2.25072             6.39233             1.94368
     C             2.76601             6.95775             3.20794
     C             4.78430             2.91598             6.69175
     C             3.52829             2.10215             6.71058
     C             2.38884             3.00822             6.82830
     C             2.88877             4.33554             6.89617
     C             4.37149             4.28225             6.78241
     C             6.64989             1.56189             3.92605
     C             5.89376             1.38020             5.14151
     C             5.97880             2.62335             5.98020
     C             6.83762             3.55505             5.27949
     C             7.48420             2.84068             3.97428
     C             2.68061             0.00011             3.93063
     C             2.28803             0.60318             5.18749
     C             3.48281             0.95260             5.93432
     C             4.65831             0.66541             5.08297
     C             4.14149             0.01326             3.84108
     C            -0.12445             3.15718             4.18184
     C             0.42056             3.65925             5.45109
     C             1.18263             2.61882             6.09846
     C             1.14491             1.40209             5.24479
     C             0.25539             1.69991             4.11952
     C             2.02350             6.67036             4.37438
     C             2.88959             6.27802             5.47170
     C             2.12366             5.34368             6.26323
     C             0.82626             5.06212             5.57660
     C             0.76344             5.92048             4.38445
     C             6.35074             5.76204             4.06023
     C             6.37877             4.92082             5.28475
     C             5.14169             5.22056             6.08832
     C             4.34637             6.20286             5.37403
     C             5.09764             6.59090             4.20430
     C             9.15346             3.53622             2.30552
     C             8.91086             2.55148             3.33637
     C            10.38597             3.72645             1.77526
     H            10.65228             4.59736             1.17630
     C            11.39110             2.87009             2.18342
     H            12.42860             3.09780             1.92881
     C            11.16794             1.81048             2.99948
     H            11.98121             1.18504             3.34986
     C             9.90091             1.61622             3.59966
     H             9.78680             0.71986             4.22601
           70
 Energy:   -461.8669281238796    
     C             4.53787             4.07798             0.28881
     C             4.03665             2.75058             0.19648
     C             2.61162             2.80009             0.21729
     C             2.18952             4.18002             0.32618
     C             3.40351             4.96934             0.30885
     C             7.51956             3.84173             2.63517
     C             6.64878             3.31178             1.42165
     C             5.80286             4.39270             0.85536
     C             5.88189             5.58713             1.71755
     C             6.80168             5.35366             2.81598
     C             4.81951             0.44000             2.65809
     C             4.07546             0.76102             1.47177
     C             4.83861             1.75089             0.76535
     C             6.05365             2.02371             1.51104
     C             6.08762             1.16161             2.68780
     C             0.74611             1.15562             2.82197
     C             0.65699             2.02159             1.59255
     C             1.87880             1.72068             0.80659
     C             2.64792             0.68047             1.51865
     C             1.90605             0.32096             2.74521
     C             0.34506             5.35207             3.13745
     C             1.07044             5.60267             1.90156
     C             1.03127             4.45712             1.04449
     C             0.27197             3.39768             1.72517
     C            -0.17094             3.95264             3.02598
     C             4.24817             6.93617             3.10251
     C             4.65979             6.36556             1.83402
     C             3.43586             6.10347             1.10848
     C             2.25743             6.38537             1.97097
     C             2.79071             6.93493             3.17900
     C             4.72720             2.87871             6.70937
     C             3.52652             2.11184             6.75275
     C             2.36754             2.97871             6.80628
     C             2.87523             4.36353             6.91998
     C             4.32639             4.29006             6.77635
     C             6.66479             1.52698             3.93849
     C             5.87064             1.36484             5.11776
     C             5.92585             2.50582             5.94843
     C             6.80471             3.53173             5.31972
     C             7.48365             2.87593             4.00330
     C             2.66278             0.00202             3.91248
     C             2.32544             0.58704             5.20480
     C             3.52921             0.95073             5.92054
     C             4.65418             0.62028             5.09087
     C             4.13060             0.06279             3.85164
     C            -0.10772             3.10368             4.20389
     C             0.43381             3.67923             5.46337
     C             1.22583             2.61578             6.11202
     C             1.15690             1.42403             5.29415
     C             0.30986             1.70502             4.08319
     C             2.09094             6.70722             4.38942
     C             2.90056             6.32082             5.54318
     C             2.11201             5.35073             6.27858
     C             0.88147             5.01858             5.54749
     C             0.83746             5.88568             4.34596
     C             6.32952             5.78280             4.14532
     C             6.36023             4.89709             5.34727
     C             5.09112             5.21783             6.03089
     C             4.32793             6.22720             5.34954
     C             5.09089             6.62402             4.20100
     C             9.15214             3.65303             2.30497
     C             8.95168             2.68953             3.45410
     C            10.38950             3.74924             1.75596
     H            10.60278             4.55085             1.05784
     C            11.40534             2.86175             2.14434
     H            12.44560             3.06719             1.84193
     C            11.13092             1.79303             3.04817
     H            11.92756             1.16343             3.33753
     C             9.86923             1.66390             3.57780
     H             9.61320             0.80180             4.17321
           70
 Energy:   -462.4293657920426    
     C             4.52715             4.11836             0.22392
     C             4.03407             2.77064             0.19736
     C             2.58292             2.77089             0.15765
     C             2.18531             4.16178             0.23610
     C             3.36515             5.00464             0.24722
     C             7.48627             3.88306             2.67297
     C             6.60988             3.33340             1.46904
     C             5.77369             4.36425             0.90233
     C             5.78691             5.53019             1.73249
     C             6.73712             5.29882             2.86464
     C             4.80540             0.44812             2.68532
     C             4.05813             0.73425             1.48009
     C             4.79184             1.75388             0.77091
     C             6.05766             2.04892             1.49067
     C             6.07416             1.18088             2.68025
     C             0.72443             1.18030             2.80480
     C             0.74631             2.05412             1.64504
     C             1.87023             1.71472             0.75587
     C             2.62309             0.65120             1.44504
     C             1.93679             0.32717             2.71433
     C             0.41405             5.29696             3.14430
     C             1.10670             5.67777             1.89562
     C             1.05610             4.48348             1.05705
     C             0.35781             3.42586             1.76288
     C            -0.05215             3.92676             3.07281
     C             4.27477             6.91151             3.06484
     C             4.62932             6.36008             1.79765
     C             3.40352             6.13848             1.06811
     C             2.30917             6.41701             1.91356
     C             2.82544             6.96278             3.16719
     C             4.76664             2.89997             6.72900
     C             3.55828             2.04475             6.75769
     C             2.40010             2.93638             6.86657
     C             2.85257             4.29616             6.94319
     C             4.32213             4.26704             6.81981
     C             6.64235             1.55340             3.90865
     C             5.83581             1.30613             5.07855
     C             5.87556             2.51954             5.93574
     C             6.73591             3.50324             5.32041
     C             7.43342             2.89792             4.07617
     C             2.69717             0.02598             3.89887
     C             2.26388             0.57063             5.22719
     C             3.51848             0.92042             5.92915
     C             4.66054             0.54381             5.10676
     C             4.15543             0.10134             3.84113
     C            -0.10698             3.10127             4.20938
     C             0.43213             3.66485             5.44089
     C             1.19349             2.64897             6.10905
     C             1.14356             1.42142             5.30520
     C             0.42732             1.71212             4.08901
     C             2.13076             6.72649             4.36927
     C             2.89846             6.39455             5.55976
     C             2.13793             5.36695             6.31257
     C             0.94709             5.01716             5.52072
     C             0.94734             5.86408             4.35952
     C             6.32687             5.79417             4.14275
     C             6.28442             4.86441             5.33119
     C             5.03305             5.19273             6.06029
     C             4.32536             6.28546             5.43366
     C             5.05968             6.62840             4.19781
     C             9.14022             3.75261             2.34814
     C             8.93173             2.82361             3.49619
     C            10.40385             3.77320             1.75135
     H            10.61343             4.39567             0.88663
     C            11.39296             2.85568             2.14832
     H            12.36523             2.90672             1.64217
     C            11.11433             1.83910             3.03432
     H            11.81861             1.07856             3.23224
     C             9.82170             1.73933             3.61715
     H             9.50862             0.86598             4.15093
           70
 Energy:   -462.6768042027949    
     C             4.55815             4.16028             0.15008
     C             4.06159             2.77559             0.10540
     C             2.57177             2.74420             0.07783
     C             2.12122             4.14936             0.13938
     C             3.34191             4.99371             0.15129
     C             7.46822             3.95141             2.71450
     C             6.53436             3.35905             1.52043
     C             5.70807             4.35764             0.94944
     C             5.78872             5.48955             1.80077
     C             6.62373             5.24388             2.88958
     C             4.84469             0.39389             2.66239
     C             4.04729             0.68079             1.48339
     C             4.77566             1.74376             0.78533
     C             6.05440             2.02992             1.46512
     C             6.04878             1.21834             2.65943
     C             0.78442             1.20100             2.81432
     C             0.78003             2.09554             1.64722
     C             1.85512             1.69197             0.77862
     C             2.63046             0.62553             1.41566
     C             1.95100             0.31679             2.68105
     C             0.49895             5.33602             3.16437
     C             1.11070             5.68681             1.90741
     C             1.07122             4.50277             1.02733
     C             0.41846             3.42448             1.79164
     C             0.02872             3.94412             3.06301
     C             4.31052             6.93926             3.07978
     C             4.67792             6.37659             1.75992
     C             3.43245             6.14762             0.99101
     C             2.27856             6.53359             1.88654
     C             2.84438             7.00622             3.13921
     C             4.76699             2.85211             6.76860
     C             3.58898             2.01855             6.77595
     C             2.36858             2.86049             6.91110
     C             2.87673             4.27314             6.96568
     C             4.32146             4.23854             6.88604
     C             6.59551             1.60184             3.89221
     C             5.84443             1.33555             5.11285
     C             5.86781             2.51795             5.90685
     C             6.65616             3.53405             5.28421
     C             7.39308             2.94307             4.03237
     C             2.67890             0.07594             3.88853
     C             2.27566             0.52605             5.20507
     C             3.48166             0.82647             5.97174
     C             4.64779             0.49903             5.12996
     C             4.12312             0.04436             3.85804
     C            -0.04485             3.10279             4.20563
     C             0.45061             3.70232             5.46103
     C             1.19630             2.61056             6.16727
     C             1.15419             1.42094             5.31933
     C             0.41307             1.74947             4.09544
     C             2.14237             6.72050             4.36145
     C             2.91349             6.43721             5.59792
     C             2.18669             5.35340             6.33271
     C             0.99219             5.01270             5.54094
     C             0.99623             5.84287             4.33688
     C             6.25315             5.76021             4.13917
     C             6.18233             4.84827             5.27581
     C             5.03967             5.21578             6.12834
     C             4.35013             6.34905             5.49256
     C             5.06604             6.60716             4.25488
     C             9.12705             3.81536             2.41136
     C             8.90236             2.86434             3.53453
     C            10.36094             3.79841             1.76728
     H            10.50850             4.37144             0.85647
     C            11.35045             2.88156             2.12746
     H            12.28028             2.77621             1.57280
     C            11.03045             1.86979             3.03924
     H            11.71384             1.04397             3.16361
     C             9.82030             1.85549             3.67807
     H             9.58091             0.95761             4.19166
           70
 Energy:   -462.7301050576735    
     C             4.51931             4.10262             0.08598
     C             4.05432             2.72048            -0.01117
     C             2.59694             2.72821             0.00739
     C             2.11940             4.15594             0.06324
     C             3.35809             5.01950             0.08619
     C             7.43629             3.96563             2.69003
     C             6.50844             3.33192             1.54411
     C             5.66541             4.36791             0.96160
     C             5.74708             5.52559             1.78537
     C             6.58301             5.24553             2.93085
     C             4.84502             0.30218             2.65448
     C             4.08453             0.66311             1.43618
     C             4.77732             1.74784             0.73128
     C             6.00096             2.02998             1.47187
     C             6.02937             1.19015             2.67636
     C             0.84024             1.24356             2.84077
     C             0.77964             2.05909             1.64935
     C             1.92202             1.71490             0.74845
     C             2.63439             0.60300             1.44782
     C             1.92369             0.31878             2.69884
     C             0.51963             5.34777             3.13044
     C             1.16203             5.70116             1.84953
     C             1.06973             4.51223             0.99814
     C             0.44464             3.46530             1.75899
     C             0.06201             4.00551             3.06955
     C             4.30503             6.97642             3.08305
     C             4.69311             6.42758             1.80274
     C             3.42992             6.18463             0.96752
     C             2.28340             6.60064             1.81440
     C             2.84532             7.06286             3.14416
     C             4.75622             2.80061             6.79121
     C             3.52834             1.94566             6.81238
     C             2.40176             2.86799             6.94638
     C             2.88429             4.24638             7.00252
     C             4.37740             4.21984             6.92794
     C             6.54143             1.64528             3.90100
     C             5.81755             1.34101             5.10346
     C             5.86133             2.53896             5.95152
     C             6.60557             3.54766             5.20846
     C             7.34664             2.97808             3.99265
     C             2.67203             0.05547             3.86583
     C             2.27102             0.52824             5.20474
     C             3.50433             0.75772             6.02669
     C             4.66608             0.49490             5.15110
     C             4.14970            -0.02332             3.84360
     C             0.03797             3.19351             4.21935
     C             0.50887             3.66816             5.53182
     C             1.17582             2.55963             6.21341
     C             1.16044             1.39125             5.30747
     C             0.38555             1.73112             4.09909
     C             2.20976             6.72566             4.38801
     C             2.94054             6.42730             5.62676
     C             2.22569             5.33453             6.32526
     C             1.02306             5.02493             5.57071
     C             1.01787             5.85297             4.38852
     C             6.11748             5.68435             4.15661
     C             6.11090             4.84480             5.30244
     C             5.05026             5.25602             6.20006
     C             4.36362             6.37751             5.56310
     C             5.04817             6.66376             4.26042
     C             9.08723             3.84714             2.46910
     C             8.84981             2.87448             3.57072
     C            10.27246             3.84418             1.78852
     H            10.40059             4.52303             0.94663
     C            11.26150             2.89215             2.09501
     H            12.20030             2.94971             1.55697
     C            10.98555             1.91539             3.01854
     H            11.68741             1.07056             3.16034
     C             9.81091             1.92180             3.79048
     H             9.59528             1.14299             4.50524
           70
 Energy:   -462.2548919909205    
     C             4.53234             4.06989             0.07183
     C             4.05648             2.69145            -0.09252
     C             2.58199             2.74320            -0.05513
     C             2.18706             4.17171             0.03854
     C             3.38118             5.04613             0.09229
     C             7.34215             3.93397             2.65517
     C             6.47805             3.34700             1.49269
     C             5.64031             4.33335             0.90770
     C             5.73485             5.56232             1.74785
     C             6.57390             5.28808             2.89201
     C             4.84238             0.25598             2.60138
     C             4.07650             0.61527             1.39453
     C             4.78260             1.68647             0.67252
     C             5.96002             2.03807             1.53023
     C             6.00111             1.13182             2.67747
     C             0.80034             1.27697             2.83430
     C             0.81472             2.11134             1.60693
     C             1.94803             1.70760             0.76125
     C             2.67046             0.63372             1.45570
     C             1.95574             0.33266             2.73240
     C             0.57150             5.44544             3.11073
     C             1.19355             5.73812             1.79808
     C             1.11355             4.51630             0.92504
     C             0.40731             3.44944             1.73935
     C             0.08235             4.01314             3.04890
     C             4.25739             7.05126             3.10282
     C             4.61089             6.48195             1.79584
     C             3.47700             6.22176             0.97352
     C             2.32630             6.60571             1.80780
     C             2.80750             7.10090             3.13329
     C             4.75355             2.78261             6.81562
     C             3.53775             1.92897             6.87504
     C             2.37716             2.85692             6.95647
     C             2.93330             4.25364             7.02334
     C             4.35782             4.19189             6.97412
     C             6.49256             1.63435             3.87890
     C             5.78711             1.36735             5.10305
     C             5.87342             2.50416             5.94097
     C             6.54897             3.54704             5.24798
     C             7.26406             2.95150             4.01066
     C             2.72544            -0.03232             3.91203
     C             2.30592             0.51185             5.21009
     C             3.50107             0.74234             6.00729
     C             4.67257             0.46059             5.12577
     C             4.17896            -0.05565             3.86146
     C             0.10029             3.19795             4.25605
     C             0.56909             3.66915             5.55636
     C             1.21031             2.53504             6.24342
     C             1.12488             1.36400             5.33028
     C             0.40774             1.79556             4.12238
     C             2.23329             6.72679             4.40991
     C             2.96305             6.37722             5.64089
     C             2.26638             5.30901             6.35023
     C             1.03712             4.99835             5.61157
     C             1.02840             5.89499             4.37704
     C             6.02666             5.66513             4.15392
     C             6.10356             4.84176             5.35460
     C             5.05347             5.25917             6.27742
     C             4.37892             6.42674             5.61591
     C             4.97964             6.69286             4.30472
     C             9.01134             3.83813             2.49513
     C             8.79060             2.88355             3.59866
     C            10.18143             3.91503             1.80714
     H            10.41958             4.67782             1.06452
     C            11.12897             2.94699             2.04868
     H            12.10861             3.01492             1.58471
     C            10.93095             1.94836             3.03844
     H            11.73811             1.16917             3.19293
     C             9.80837             1.97570             3.90287
     H             9.84652             1.31307             4.78394
           70
 Energy:   -461.9450376808561    
     C             4.55255             4.11553             0.05358
     C             4.08803             2.68235            -0.09567
     C             2.59351             2.72771            -0.07009
     C             2.21762             4.18900             0.06766
     C             3.44572             5.01709             0.14976
     C             7.26423             3.89078             2.69068
     C             6.43699             3.33024             1.45022
     C             5.67032             4.41094             0.87129
     C             5.70808             5.56434             1.66898
     C             6.51694             5.31673             2.84016
     C             4.81689             0.22257             2.58979
     C             4.07997             0.53823             1.36294
     C             4.78791             1.63150             0.64313
     C             5.92301             2.02356             1.50560
     C             5.96788             1.11872             2.63255
     C             0.79945             1.27994             2.81629
     C             0.83635             2.14102             1.60950
     C             1.93567             1.75127             0.76294
     C             2.65292             0.68230             1.47327
     C             2.01282             0.37549             2.76142
     C             0.58141             5.42183             3.08021
     C             1.19073             5.74211             1.76862
     C             1.11465             4.53280             0.92647
     C             0.40459             3.52424             1.67453
     C             0.11378             4.05786             3.06699
     C             4.23817             7.11640             3.11746
     C             4.69260             6.50308             1.79661
     C             3.45832             6.21720             0.96927
     C             2.32561             6.58807             1.83204
     C             2.76113             7.10974             3.15440
     C             4.78303             2.78906             6.85579
     C             3.59787             1.92516             6.87952
     C             2.42536             2.83398             7.00783
     C             2.89643             4.21018             7.04971
     C             4.37905             4.19034             6.99589
     C             6.44867             1.57119             3.87792
     C             5.75753             1.31277             5.07932
     C             5.80370             2.47473             5.97445
     C             6.56839             3.51843             5.32746
     C             7.17630             2.92662             4.02609
     C             2.70649            -0.08813             3.91554
     C             2.28334             0.47356             5.21844
     C             3.52280             0.82110             5.98539
     C             4.67348             0.45194             5.12994
     C             4.19556            -0.09618             3.82554
     C             0.12481             3.23223             4.22399
     C             0.59139             3.67525             5.52064
     C             1.22766             2.54987             6.22341
     C             1.15120             1.33876             5.37035
     C             0.47738             1.81016             4.10604
     C             2.19981             6.73168             4.42183
     C             2.95416             6.37416             5.64373
     C             2.26263             5.30188             6.36556
     C             1.06056             5.04012             5.58855
     C             1.02576             5.89429             4.39655
     C             6.04321             5.70107             4.13109
     C             6.11048             4.88009             5.35112
     C             5.05860             5.26756             6.32320
     C             4.36450             6.41437             5.69065
     C             4.94194             6.65116             4.32387
     C             8.86529             3.81847             2.46700
     C             8.70420             2.85988             3.64343
     C            10.07479             4.00002             1.83604
     H            10.23272             4.85066             1.15484
     C            11.01427             2.97159             2.06865
     H            11.92400             2.95088             1.46181
     C            10.85539             2.03837             3.06419
     H            11.69215             1.31292             3.24770
     C             9.82381             2.09257             3.96293
     H             9.81490             1.53681             4.93333
           70
 Energy:   -462.0941969374278    
     C             4.60070             4.09795             0.03466
     C             4.12299             2.71686            -0.05006
     C             2.65091             2.76189            -0.02408
     C             2.22141             4.17376             0.12900
     C             3.41981             4.99622             0.20833
     C             7.15620             3.88222             2.72416
     C             6.39058             3.33824             1.47993
     C             5.75060             4.41273             0.79110
     C             5.77206             5.60196             1.68745
     C             6.47978             5.25578             2.86096
     C             4.81121             0.19855             2.58125
     C             4.05518             0.52177             1.32318
     C             4.76296             1.62118             0.61987
     C             5.91491             1.99774             1.40410
     C             5.95101             1.14003             2.62334
     C             0.88742             1.29359             2.82339
     C             0.78320             2.17475             1.64412
     C             1.94050             1.79030             0.76661
     C             2.66225             0.69518             1.46300
     C             1.98514             0.43182             2.71654
     C             0.57798             5.40532             3.12203
     C             1.16000             5.74019             1.83287
     C             1.11113             4.59369             0.92872
     C             0.41754             3.53221             1.71331
     C             0.11542             4.03889             2.99226
     C             4.28647             7.07753             3.12640
     C             4.66679             6.56141             1.78485
     C             3.47692             6.20693             1.03490
     C             2.29748             6.57542             1.83832
     C             2.79999             7.09213             3.16265
     C             4.78829             2.80294             6.92236
     C             3.61006             1.96007             6.86131
     C             2.43322             2.79084             7.01670
     C             2.90030             4.22534             7.06623
     C             4.37637             4.21673             7.02065
     C             6.43354             1.55546             3.86734
     C             5.76450             1.26936             5.12041
     C             5.82064             2.45213             5.96508
     C             6.59062             3.50680             5.33951
     C             7.10473             2.89326             4.04595
     C             2.67300            -0.07306             3.89174
     C             2.29908             0.44884             5.26172
     C             3.52352             0.84563             5.93026
     C             4.61470             0.42162             5.09869
     C             4.13216            -0.14674             3.85069
     C             0.15715             3.21343             4.16750
     C             0.61041             3.70983             5.47849
     C             1.26942             2.58032             6.21634
     C             1.18555             1.38890             5.32523
     C             0.51837             1.78273             4.08932
     C             2.16781             6.75603             4.43076
     C             2.90781             6.41708             5.69214
     C             2.21753             5.30630             6.35965
     C             1.03171             5.02076             5.55933
     C             1.00075             5.86637             4.36463
     C             6.09057             5.73221             4.12588
     C             6.16376             4.85323             5.34940
     C             5.09217             5.26821             6.28654
     C             4.34259             6.36828             5.63439
     C             4.95114             6.64087             4.31862
     C             8.73174             3.79212             2.44591
     C             8.63646             2.88679             3.62717
     C             9.93641             4.01226             1.90409
     H            10.10308             4.83348             1.20284
     C            10.91226             3.06208             2.05429
     H            11.69640             2.93931             1.29485
     C            10.83152             2.15184             3.12460
     H            11.59046             1.35932             3.25334
     C             9.75122             2.23550             4.02331
     H             9.79708             1.62035             4.96287
           70
 Energy:   -461.9834493559468    
     C             4.60135             4.13483             0.04129
     C             4.09460             2.73861            -0.02544
     C             2.65333             2.80741             0.08296
     C             2.23403             4.18697             0.19852
     C             3.43995             5.01929             0.25032
     C             7.02898             3.84907             2.70969
     C             6.36468             3.29736             1.50156
     C             5.80835             4.43842             0.77951
     C             5.81521             5.64597             1.67572
     C             6.48269             5.22421             2.94978
     C             4.78048             0.19924             2.56866
     C             4.05672             0.56970             1.32751
     C             4.76266             1.63398             0.59772
     C             5.96039             1.96784             1.40951
     C             5.93702             1.14949             2.61246
     C             0.88336             1.35102             2.82163
     C             0.82246             2.14278             1.61526
     C             1.94033             1.80078             0.78116
     C             2.63711             0.69125             1.40261
     C             2.00925             0.39469             2.68114
     C             0.51896             5.37597             3.12711
     C             1.15174             5.78743             1.87783
     C             1.08155             4.57083             0.96704
     C             0.42991             3.51038             1.70033
     C             0.06985             4.00682             3.04768
     C             4.29081             7.00044             3.11722
     C             4.70310             6.52681             1.78731
     C             3.45531             6.16757             1.06806
     C             2.33598             6.59195             1.90740
     C             2.84776             7.06482             3.18545
     C             4.81720             2.80348             6.89617
     C             3.58111             1.94708             6.82723
     C             2.41286             2.88758             6.97565
     C             2.90588             4.27820             7.05685
     C             4.39195             4.25683             7.02341
     C             6.40737             1.55637             3.88601
     C             5.77866             1.24949             5.13083
     C             5.87873             2.45132             6.02932
     C             6.57334             3.47447             5.29061
     C             7.10718             2.89000             4.02604
     C             2.61278            -0.02721             3.88448
     C             2.26008             0.50266             5.21214
     C             3.50367             0.81757             5.94979
     C             4.63468             0.42999             5.08407
     C             4.09581            -0.15052             3.80440
     C             0.17523             3.15528             4.15467
     C             0.60167             3.63904             5.43270
     C             1.27051             2.58642             6.15284
     C             1.23792             1.43607             5.29540
     C             0.52395             1.80629             4.08769
     C             2.15930             6.77931             4.42829
     C             2.89155             6.44931             5.69405
     C             2.17587             5.31721             6.37569
     C             1.00802             5.01623             5.55283
     C             1.01392             5.88026             4.38445
     C             6.13748             5.69908             4.20030
     C             6.22007             4.84199             5.35151
     C             5.07918             5.22735             6.21683
     C             4.32263             6.31546             5.53630
     C             5.02350             6.63748             4.29245
     C             8.62094             3.79624             2.47018
     C             8.55788             2.93926             3.63012
     C             9.81041             4.04216             1.88247
     H             9.94755             4.86518             1.17181
     C            10.84344             3.10570             2.08182
     H            11.61926             3.05505             1.30272
     C            10.80308             2.29832             3.19175
     H            11.53549             1.52568             3.29204
     C             9.71290             2.32087             4.04760
     H             9.72663             1.72855             4.99242
           70
 Energy:   -462.0446644801017    
     C             4.59953             4.18869             0.07224
     C             4.09175             2.77439            -0.00557
     C             2.62306             2.84056             0.16214
     C             2.24847             4.25142             0.27311
     C             3.44881             5.04439             0.24632
     C             7.02804             3.80955             2.73133
     C             6.35022             3.30193             1.44872
     C             5.77242             4.43806             0.81662
     C             5.88736             5.60388             1.70371
     C             6.49028             5.24047             2.90826
     C             4.75405             0.26394             2.54669
     C             4.04173             0.62359             1.32013
     C             4.82349             1.66143             0.61994
     C             5.96179             1.95100             1.44442
     C             5.93136             1.09023             2.65479
     C             0.87401             1.29038             2.76274
     C             0.84621             2.15295             1.59053
     C             1.95116             1.76313             0.75263
     C             2.63380             0.63997             1.36268
     C             1.94244             0.37047             2.66009
     C             0.45927             5.40579             3.17206
     C             1.13905             5.76349             1.87059
     C             1.10497             4.58233             1.03196
     C             0.38134             3.48162             1.73587
     C             0.03580             3.99264             3.04435
     C             4.35049             6.95347             3.13514
     C             4.71724             6.44338             1.80346
     C             3.48290             6.18868             1.09916
     C             2.33702             6.55593             1.95866
     C             2.87374             7.04218             3.23872
     C             4.77914             2.81473             6.84851
     C             3.55210             2.01253             6.81196
     C             2.42782             2.94507             6.88147
     C             2.92331             4.32274             7.03280
     C             4.39607             4.22148             6.97569
     C             6.40069             1.54753             3.87441
     C             5.78983             1.26458             5.14802
     C             5.93235             2.41397             6.04707
     C             6.57414             3.48296             5.30023
     C             7.03818             2.86864             4.00394
     C             2.65940            -0.01508             3.85185
     C             2.30396             0.54703             5.14440
     C             3.48095             0.76581             5.96277
     C             4.62429             0.42384             5.09648
     C             4.10561            -0.07723             3.78489
     C             0.09754             3.17404             4.19104
     C             0.57955             3.69017             5.44473
     C             1.28262             2.62495             6.13250
     C             1.21136             1.44041             5.26992
     C             0.53254             1.77356             4.04922
     C             2.16879             6.77773             4.44623
     C             2.92660             6.41963             5.62635
     C             2.17873             5.38497             6.38388
     C             1.00734             4.99659             5.55973
     C             0.98376             5.89401             4.38358
     C             6.21843             5.69314             4.20843
     C             6.19477             4.82350             5.40188
     C             5.03710             5.19206             6.16945
     C             4.32944             6.27043             5.51022
     C             5.08179             6.59625             4.29686
     C             8.57841             3.85818             2.46915
     C             8.55089             2.96880             3.66767
     C             9.72776             4.05893             1.79706
     H             9.79076             4.83891             1.04144
     C            10.77001             3.21325             2.09804
     H            11.69176             3.16236             1.50286
     C            10.77873             2.41152             3.25476
     H            11.63566             1.84647             3.51773
     C             9.67936             2.37105             4.07427
     H             9.68706             1.82664             5.01620
           70
 Energy:   -461.8033758157964    
     C             4.57308             4.17853             0.08174
     C             4.13016             2.80683             0.04485
     C             2.68250             2.86770             0.13904
     C             2.25198             4.24801             0.31225
     C             3.42304             5.11336             0.23263
     C             7.06957             3.85376             2.68958
     C             6.39787             3.30802             1.48199
     C             5.72983             4.41871             0.84536
     C             5.83015             5.57609             1.69063
     C             6.58529             5.21086             2.89978
     C             4.74026             0.30980             2.56780
     C             4.05229             0.63014             1.31846
     C             4.78131             1.69101             0.63028
     C             5.97800             1.98608             1.47280
     C             5.96265             1.08081             2.61801
     C             0.79673             1.24071             2.74804
     C             0.79780             2.13696             1.60627
     C             1.92739             1.76160             0.71379
     C             2.62003             0.58841             1.35906
     C             1.94876             0.28120             2.60847
     C             0.42557             5.42609             3.14176
     C             1.13100             5.74455             1.95278
     C             1.10593             4.56302             1.08338
     C             0.38508             3.51415             1.74345
     C            -0.03095             4.03486             3.05593
     C             4.39036             6.93925             3.16835
     C             4.73994             6.41449             1.87269
     C             3.51055             6.21357             1.10570
     C             2.34582             6.49905             1.96490
     C             2.91564             7.01552             3.23824
     C             4.77049             2.78895             6.80961
     C             3.55265             1.99788             6.73811
     C             2.44657             2.94868             6.82009
     C             2.92741             4.32060             6.99335
     C             4.35991             4.19784             6.91140
     C             6.39480             1.50647             3.90817
     C             5.77268             1.22353             5.15337
     C             5.88262             2.41407             6.03764
     C             6.60109             3.45815             5.35981
     C             7.01124             2.90085             4.01170
     C             2.70461             0.01651             3.79077
     C             2.30946             0.54534             5.13445
     C             3.50158             0.82443             5.98309
     C             4.63060             0.41488             5.12515
     C             4.15135             0.00861             3.79929
     C            -0.00515             3.17039             4.18794
     C             0.52639             3.72157             5.48291
     C             1.25846             2.63550             6.10467
     C             1.20533             1.42120             5.24965
     C             0.45874             1.80244             4.01520
     C             2.16727             6.74053             4.43120
     C             2.96768             6.36656             5.60273
     C             2.22639             5.40447             6.36991
     C             1.03659             5.09308             5.59095
     C             0.95401             5.92244             4.40929
     C             6.27053             5.68530             4.18136
     C             6.19393             4.80903             5.37738
     C             5.03773             5.17609             6.18852
     C             4.37582             6.25797             5.51627
     C             5.11161             6.57349             4.32803
     C             8.61028             3.88021             2.48062
     C             8.54236             3.00770             3.68908
     C             9.68101             4.07040             1.69925
     H             9.73043             4.64769             0.77524
     C            10.78159             3.32309             2.13652
     H            11.68175             3.45169             1.52968
     C            10.79397             2.53633             3.29444
     H            11.74341             2.21470             3.63608
     C             9.68733             2.37430             4.14030
     H             9.77407             1.79235             5.03650
           70
 Energy:   -462.1705064094629    
     C             4.57666             4.20015             0.08880
     C             4.10033             2.81589             0.05591
     C             2.66565             2.80835             0.11555
     C             2.24061             4.22128             0.28722
     C             3.43224             5.09040             0.20369
     C             7.16126             3.86545             2.68690
     C             6.42077             3.32118             1.48766
     C             5.74026             4.39099             0.86462
     C             5.80570             5.55334             1.75418
     C             6.60947             5.29245             2.87557
     C             4.81183             0.31558             2.56707
     C             4.04237             0.60207             1.34623
     C             4.77834             1.72066             0.68668
     C             5.96757             2.00778             1.43484
     C             6.01132             1.13340             2.61632
     C             0.75230             1.18509             2.76287
     C             0.75325             2.11979             1.57910
     C             1.90591             1.79290             0.72866
     C             2.60911             0.62619             1.29461
     C             1.90985             0.25439             2.60313
     C             0.40411             5.44575             3.22175
     C             1.19653             5.73747             1.96022
     C             1.13350             4.56976             1.09655
     C             0.38276             3.49418             1.78521
     C            -0.11687             4.07197             3.06333
     C             4.35224             6.95391             3.20298
     C             4.72055             6.46788             1.88695
     C             3.51201             6.22131             1.10832
     C             2.40164             6.50413             1.98563
     C             2.91350             6.98181             3.21690
     C             4.73661             2.78907             6.80535
     C             3.55091             2.00770             6.70754
     C             2.40321             2.89053             6.80133
     C             2.90951             4.24532             6.94264
     C             4.37768             4.18719             6.89546
     C             6.43640             1.52228             3.89073
     C             5.80657             1.21845             5.18246
     C             5.84273             2.38908             6.00235
     C             6.60122             3.42567             5.35901
     C             7.08456             2.90129             4.03975
     C             2.70177             0.05616             3.82945
     C             2.27425             0.53576             5.13422
     C             3.48772             0.81062             5.89411
     C             4.63802             0.41203             5.14033
     C             4.15399             0.03313             3.81371
     C            -0.07417             3.22561             4.20793
     C             0.46591             3.74338             5.46582
     C             1.23345             2.61211             6.07974
     C             1.17497             1.46365             5.19277
     C             0.37433             1.79419             4.04654
     C             2.23307             6.71394             4.39889
     C             3.00046             6.37074             5.59087
     C             2.25494             5.34826             6.34080
     C             0.95802             5.08115             5.63566
     C             0.94772             5.96842             4.41367
     C             6.26128             5.65499             4.19457
     C             6.25644             4.77368             5.35963
     C             5.13647             5.18085             6.19188
     C             4.42664             6.28073             5.55779
     C             5.15056             6.59852             4.31753
     C             8.67322             3.85895             2.48923
     C             8.58728             3.00168             3.74271
     C             9.70546             4.01486             1.66363
     H             9.65675             4.41049             0.65974
     C            10.86305             3.45589             2.14069
     H            11.82838             3.54654             1.64978
     C            10.85773             2.70280             3.34656
     H            11.80859             2.30269             3.69772
     C             9.73442             2.41174             4.12732
     H             9.79072             1.77855             4.96803
           70
 Energy:   -462.6355315421991    
     C             4.60571             4.15726             0.09929
     C             4.07676             2.77067             0.02971
     C             2.59392             2.83051             0.09894
     C             2.22358             4.20823             0.21177
     C             3.43138             5.05318             0.22281
     C             7.18383             3.88643             2.73330
     C             6.45588             3.33460             1.47330
     C             5.74347             4.45415             0.89764
     C             5.79391             5.59463             1.76308
     C             6.63249             5.26986             2.90909
     C             4.85324             0.26953             2.57968
     C             4.06183             0.64174             1.35224
     C             4.75695             1.72733             0.70076
     C             5.99302             2.01213             1.44078
     C             6.02339             1.18062             2.62594
     C             0.70555             1.21893             2.75458
     C             0.72785             2.11092             1.60761
     C             1.88069             1.77500             0.76164
     C             2.59639             0.64294             1.36562
     C             1.89116             0.32036             2.63482
     C             0.44609             5.47723             3.18478
     C             1.22409             5.72272             1.99119
     C             1.16241             4.53435             1.12097
     C             0.36182             3.50333             1.81158
     C            -0.14018             4.08101             3.06394
     C             4.36083             6.98888             3.18411
     C             4.73563             6.50165             1.83430
     C             3.51754             6.18917             1.07124
     C             2.38879             6.51698             1.95171
     C             2.90371             7.00076             3.24503
     C             4.75560             2.76766             6.78541
     C             3.50764             1.94562             6.70463
     C             2.37508             2.83564             6.81381
     C             2.92468             4.21067             6.90127
     C             4.39892             4.19375             6.90556
     C             6.52038             1.55843             3.89245
     C             5.85351             1.20707             5.12633
     C             5.86703             2.41044             6.00814
     C             6.59768             3.41257             5.30915
     C             7.17772             2.86624             4.05804
     C             2.65394             0.04421             3.79368
     C             2.23402             0.57576             5.10409
     C             3.44187             0.81388             5.90060
     C             4.65181             0.42241             5.08527
     C             4.14760            -0.01046             3.77508
     C            -0.12757             3.21586             4.20713
     C             0.44554             3.71533             5.48055
     C             1.18226             2.63546             6.04907
     C             1.14951             1.46968             5.18549
     C             0.30631             1.79277             4.00740
     C             2.23368             6.68755             4.44639
     C             3.02473             6.33466             5.61247
     C             2.21636             5.28761             6.29439
     C             0.92147             5.08310             5.62147
     C             0.96836             5.97877             4.48105
     C             6.25625             5.67150             4.17863
     C             6.29943             4.78141             5.37374
     C             5.18921             5.17814             6.24208
     C             4.48961             6.31902             5.59597
     C             5.14563             6.62013             4.33922
     C             8.74683             3.80335             2.50597
     C             8.67788             3.02357             3.71475
     C             9.79565             3.93310             1.66310
     H             9.63569             4.34951             0.67602
     C            11.01809             3.54157             2.18388
     H            11.93372             3.68168             1.61495
     C            10.97396             2.84873             3.38228
     H            11.92816             2.37940             3.68797
     C             9.86057             2.45902             4.10495
     H             9.89735             1.73862             4.88740
           70
 Energy:   -462.8975836608304    
     C             4.56663             4.11173             0.11941
     C             4.04876             2.74929             0.00387
     C             2.59077             2.80058             0.06384
     C             2.18315             4.24455             0.19810
     C             3.43488             5.01184             0.22901
     C             7.24272             3.83963             2.72263
     C             6.48310             3.38049             1.49910
     C             5.73819             4.44781             0.88561
     C             5.87546             5.62464             1.76509
     C             6.60567             5.24342             2.92867
     C             4.84170             0.27528             2.54805
     C             4.04361             0.65443             1.40360
     C             4.77827             1.71994             0.68272
     C             5.99330             2.05342             1.45399
     C             6.01863             1.15289             2.64490
     C             0.68816             1.26266             2.75527
     C             0.70595             2.16442             1.61929
     C             1.86323             1.77926             0.77286
     C             2.62537             0.68251             1.47215
     C             1.86263             0.39899             2.66478
     C             0.47104             5.45554             3.20169
     C             1.23172             5.68831             1.95817
     C             1.16683             4.51548             1.13880
     C             0.35347             3.51912             1.78103
     C            -0.09134             4.11042             3.08205
     C             4.39405             7.02079             3.14895
     C             4.74527             6.52298             1.82055
     C             3.50877             6.19063             1.07250
     C             2.37346             6.53976             1.94769
     C             2.90305             7.03504             3.24191
     C             4.75178             2.71477             6.77413
     C             3.52956             1.93151             6.76134
     C             2.38385             2.86998             6.82004
     C             2.91557             4.19857             6.90134
     C             4.38237             4.14018             6.90827
     C             6.57869             1.50445             3.87445
     C             5.83280             1.21783             5.08499
     C             5.91555             2.38160             5.96402
     C             6.64230             3.47221             5.30939
     C             7.27810             2.88807             4.04906
     C             2.64601             0.01727             3.78252
     C             2.24268             0.59570             5.04922
     C             3.46153             0.77393             5.86773
     C             4.60991             0.45409             5.03787
     C             4.10065            -0.08217             3.74723
     C            -0.16527             3.20365             4.19142
     C             0.39983             3.72651             5.45398
     C             1.19143             2.61538             6.08210
     C             1.07742             1.46034             5.17398
     C             0.28043             1.80940             4.01323
     C             2.22708             6.71121             4.48726
     C             3.03492             6.25837             5.65960
     C             2.22393             5.24688             6.30626
     C             0.95211             5.04822             5.59680
     C             0.93560             5.94400             4.42022
     C             6.26736             5.71107             4.21639
     C             6.28512             4.82674             5.37215
     C             5.18285             5.21410             6.28825
     C             4.45647             6.32094             5.64779
     C             5.13287             6.62935             4.33274
     C             8.80704             3.79135             2.43612
     C             8.78113             3.00425             3.69401
     C             9.90569             3.90980             1.68371
     H             9.85145             4.31894             0.67829
     C            11.13539             3.60027             2.21026
     H            12.03785             3.84427             1.66038
     C            11.18188             2.89879             3.42004
     H            12.18128             2.59403             3.84840
     C             9.99582             2.52518             4.09903
     H            10.09570             1.77647             4.87802
           70
 Energy:   -463.1189317145412    
     C             4.55021             4.12051             0.16340
     C             4.05856             2.73669             0.00441
     C             2.57428             2.78598             0.02300
     C             2.20708             4.17974             0.21110
     C             3.40497             5.04867             0.24940
     C             7.33940             3.83887             2.70997
     C             6.45559             3.34609             1.49845
     C             5.75359             4.41848             0.88787
     C             5.88737             5.61140             1.71362
     C             6.62658             5.23555             2.95500
     C             4.79183             0.28378             2.58113
     C             4.03464             0.69059             1.39958
     C             4.78522             1.70581             0.67567
     C             5.96003             2.05735             1.48668
     C             6.02138             1.11303             2.60676
     C             0.68479             1.31698             2.77865
     C             0.70815             2.18140             1.58029
     C             1.87731             1.81233             0.78045
     C             2.59534             0.80199             1.47591
     C             1.85997             0.42234             2.69080
     C             0.48275             5.41135             3.15600
     C             1.22973             5.71856             1.95780
     C             1.13603             4.55382             1.07920
     C             0.33378             3.55728             1.78146
     C            -0.05803             4.06350             3.05252
     C             4.37064             7.03726             3.17382
     C             4.77721             6.50472             1.82667
     C             3.52225             6.19660             1.09778
     C             2.38287             6.54451             1.97402
     C             2.91740             7.06444             3.23783
     C             4.80083             2.70477             6.76152
     C             3.53303             1.88672             6.76221
     C             2.39991             2.82292             6.81567
     C             2.94208             4.18062             6.96052
     C             4.40494             4.11514             6.88516
     C             6.61217             1.48453             3.86669
     C             5.79680             1.24368             5.04185
     C             5.89494             2.40088             5.93520
     C             6.70060             3.48211             5.32532
     C             7.32118             2.86171             4.04433
     C             2.61077             0.00075             3.80552
     C             2.23772             0.59660             5.07615
     C             3.44887             0.81847             5.84554
     C             4.60627             0.45332             4.98179
     C             4.10454            -0.10372             3.74104
     C            -0.15595             3.23688             4.19435
     C             0.40678             3.70227             5.47319
     C             1.16425             2.60093             6.08877
     C             1.09755             1.42151             5.20388
     C             0.25972             1.82454             4.04324
     C             2.23855             6.73489             4.45881
     C             2.96283             6.27849             5.63453
     C             2.21635             5.23426             6.32688
     C             0.98663             5.00780             5.55361
     C             0.99550             5.93755             4.42580
     C             6.25442             5.73053             4.22863
     C             6.25630             4.84392             5.42107
     C             5.13403             5.18863             6.30234
     C             4.40300             6.30347             5.62519
     C             5.09449             6.64619             4.36198
     C             8.88125             3.78307             2.35343
     C             8.91138             2.99315             3.63999
     C            10.03870             3.96328             1.66452
     H            10.04307             4.33194             0.63225
     C            11.26134             3.61346             2.26468
     H            12.17519             3.95717             1.79334
     C            11.35161             2.93826             3.46596
     H            12.34223             2.80202             3.96585
     C            10.17364             2.58045             4.08992
     H            10.20162             1.97328             5.02211
           70
 Energy:   -463.0422223977122    
     C             4.56103             4.15522             0.18392
     C             4.07547             2.76910             0.01239
     C             2.61671             2.80946             0.00885
     C             2.20329             4.20785             0.22293
     C             3.40198             5.02928             0.28738
     C             7.40519             3.82709             2.70051
     C             6.47201             3.30166             1.53317
     C             5.75620             4.39960             0.90898
     C             5.87241             5.56640             1.75572
     C             6.67639             5.25602             2.92151
     C             4.77553             0.29561             2.55764
     C             3.98194             0.71408             1.38710
     C             4.75598             1.71935             0.68975
     C             5.93746             1.99320             1.48301
     C             6.02766             1.08646             2.61958
     C             0.68696             1.34853             2.77156
     C             0.68755             2.19214             1.58688
     C             1.84765             1.87393             0.76579
     C             2.60152             0.82805             1.47138
     C             1.86366             0.46162             2.65917
     C             0.51406             5.43287             3.18359
     C             1.21785             5.76394             1.92638
     C             1.08328             4.60129             1.00652
     C             0.33908             3.53784             1.68777
     C            -0.05795             4.06861             3.04523
     C             4.38364             7.02205             3.19908
     C             4.76794             6.48648             1.87886
     C             3.52622             6.19923             1.12858
     C             2.41618             6.54505             1.98596
     C             2.90549             7.08218             3.23854
     C             4.77221             2.71751             6.77464
     C             3.57522             1.90978             6.72372
     C             2.39416             2.77510             6.84538
     C             2.92835             4.15978             6.97968
     C             4.39499             4.10946             6.91410
     C             6.58085             1.50748             3.82957
     C             5.79193             1.28354             5.00471
     C             5.87916             2.43749             5.88977
     C             6.71630             3.44068             5.31692
     C             7.41229             2.83376             4.02515
     C             2.59373            -0.01169             3.82463
     C             2.22270             0.54888             5.13649
     C             3.47899             0.83860             5.80820
     C             4.60734             0.46377             5.01823
     C             4.05687            -0.07626             3.76239
     C            -0.09968             3.21430             4.22881
     C             0.45563             3.68524             5.50075
     C             1.18197             2.57727             6.12208
     C             1.08360             1.44129             5.23786
     C             0.27512             1.80156             4.07301
     C             2.20679             6.72072             4.42207
     C             2.94807             6.35800             5.63094
     C             2.21792             5.24079             6.32774
     C             1.01193             4.99134             5.54693
     C             1.02522             5.88547             4.37601
     C             6.20940             5.70191             4.22744
     C             6.28188             4.80735             5.43698
     C             5.07303             5.17068             6.22743
     C             4.34891             6.25756             5.59557
     C             5.07276             6.63445             4.38507
     C             9.02029             3.78598             2.30077
     C             9.01242             2.99019             3.56255
     C            10.20317             4.00565             1.65014
     H            10.19870             4.50889             0.67076
     C            11.39079             3.65798             2.27957
     H            12.33080             3.95910             1.82049
     C            11.46232             3.00378             3.50881
     H            12.43519             2.80893             3.98354
     C            10.25950             2.63708             4.11545
     H            10.33272             2.19236             5.15024
           70
 Energy:   -462.9063820157629    
     C             4.58770             4.15641             0.18135
     C             4.08682             2.82377             0.01789
     C             2.59686             2.88477             0.05441
     C             2.20142             4.29595             0.18746
     C             3.44917             5.04940             0.34490
     C             7.48804             3.81568             2.66924
     C             6.51171             3.27710             1.55072
     C             5.76060             4.36247             0.98538
     C             5.84326             5.54187             1.84133
     C             6.71993             5.24710             2.94092
     C             4.73205             0.26862             2.55589
     C             3.98792             0.70855             1.40083
     C             4.72590             1.75360             0.70784
     C             5.98976             1.98201             1.44383
     C             5.97268             1.06519             2.60309
     C             0.70060             1.32765             2.78045
     C             0.67237             2.20626             1.57028
     C             1.85506             1.86420             0.74551
     C             2.55065             0.80367             1.43176
     C             1.86168             0.48258             2.68551
     C             0.50446             5.41259             3.11240
     C             1.18080             5.77415             1.87961
     C             1.04606             4.64963             0.96793
     C             0.26884             3.60632             1.68706
     C            -0.04214             4.07058             3.04379
     C             4.36615             7.01615             3.21598
     C             4.75332             6.43786             1.92509
     C             3.54513             6.17296             1.15616
     C             2.37754             6.55628             1.96087
     C             2.90411             7.07456             3.24646
     C             4.78800             2.75491             6.74845
     C             3.56446             1.94680             6.69566
     C             2.41632             2.80733             6.90538
     C             2.86286             4.17650             6.96512
     C             4.33273             4.14435             6.95858
     C             6.55703             1.55634             3.82129
     C             5.77071             1.30522             5.00420
     C             5.84654             2.43442             5.87379
     C             6.73008             3.43379             5.26880
     C             7.52322             2.83562             3.99581
     C             2.55702             0.01056             3.81055
     C             2.19943             0.50679             5.14978
     C             3.47490             0.82524             5.87351
     C             4.61288             0.47900             4.99922
     C             4.06155            -0.02245             3.74996
     C            -0.04439             3.20626             4.20197
     C             0.50579             3.68205             5.50335
     C             1.20753             2.56205             6.17405
     C             1.09006             1.38245             5.27170
     C             0.32187             1.78966             4.07129
     C             2.18473             6.71899             4.44497
     C             2.92955             6.36778             5.67507
     C             2.24201             5.28343             6.32709
     C             1.03225             4.99910             5.56164
     C             1.02413             5.83097             4.39577
     C             6.23748             5.63442             4.19292
     C             6.26537             4.76651             5.36071
     C             5.05285             5.09317             6.18561
     C             4.36290             6.23843             5.56228
     C             5.09169             6.56237             4.35754
     C             9.14359             3.80810             2.27062
     C             9.07318             2.97193             3.54760
     C            10.34289             4.05513             1.65980
     H            10.41859             4.66816             0.75404
     C            11.54729             3.71392             2.27898
     H            12.49109             3.90839             1.75609
     C            11.49976             3.07232             3.52273
     H            12.42183             2.77365             3.97921
     C            10.28714             2.73347             4.14602
     H            10.26900             2.24507             5.15746
           70
 Energy:   -462.0607144600137    
     C             4.62901             4.17847             0.21930
     C             4.02423             2.81907             0.05000
     C             2.56632             2.93681             0.09855
     C             2.21282             4.35246             0.17402
     C             3.48875             5.08824             0.31260
     C             7.57663             3.84918             2.61448
     C             6.58947             3.28813             1.52748
     C             5.74290             4.34520             1.06473
     C             5.85379             5.47346             1.88851
     C             6.77393             5.16915             2.94805
     C             4.74269             0.28345             2.53906
     C             3.94872             0.71237             1.36937
     C             4.74010             1.77493             0.71015
     C             6.00693             1.96588             1.42777
     C             5.97706             1.10327             2.59814
     C             0.68953             1.34777             2.75733
     C             0.65589             2.24622             1.56163
     C             1.83510             1.88174             0.73261
     C             2.54359             0.73334             1.40680
     C             1.85697             0.45429             2.65447
     C             0.49389             5.42588             3.14431
     C             1.13607             5.80876             1.86658
     C             1.01525             4.66243             0.94071
     C             0.22861             3.58591             1.67646
     C            -0.03281             4.06837             3.02984
     C             4.34700             6.97392             3.21699
     C             4.73728             6.39833             1.96442
     C             3.53582             6.18462             1.21262
     C             2.34747             6.58580             1.95042
     C             2.84600             7.04873             3.27013
     C             4.74267             2.79119             6.73367
     C             3.54220             1.96749             6.73675
     C             2.36925             2.85226             6.91447
     C             2.88328             4.24327             7.01190
     C             4.33886             4.16725             6.93165
     C             6.52763             1.54549             3.80391
     C             5.76024             1.31646             4.99173
     C             5.88726             2.45871             5.85973
     C             6.71924             3.41363             5.23395
     C             7.54317             2.82937             3.97151
     C             2.61296             0.04841             3.82974
     C             2.22625             0.47200             5.16813
     C             3.43407             0.75699             5.91443
     C             4.56796             0.51005             4.99114
     C             4.02014            -0.00502             3.74456
     C             0.03685             3.22107             4.18912
     C             0.54454             3.65571             5.47769
     C             1.18488             2.53242             6.17616
     C             1.08471             1.35060             5.31974
     C             0.37178             1.80309             4.07613
     C             2.19499             6.73120             4.48742
     C             2.98634             6.35580             5.67182
     C             2.19027             5.30374             6.36774
     C             1.02652             4.98377             5.59056
     C             1.00292             5.85238             4.37220
     C             6.28286             5.61601             4.20471
     C             6.19445             4.69750             5.29426
     C             5.08596             5.08208             6.15732
     C             4.40235             6.20248             5.55805
     C             5.12643             6.49844             4.29225
     C             9.21373             3.82376             2.27613
     C             9.12395             3.01679             3.54321
     C            10.46115             4.14772             1.69466
     H            10.46460             4.69303             0.74652
     C            11.65836             3.73587             2.30158
     H            12.64403             3.88084             1.83279
     C            11.51330             3.12799             3.53549
     H            12.39239             2.82414             4.02709
     C            10.32137             2.81836             4.17128
     H            10.39639             2.29255             5.13799
           70
 Energy:   -461.5711692329139    
     C             4.55509             4.15249             0.25998
     C             4.02358             2.84884             0.13095
     C             2.56534             2.92886             0.11084
     C             2.19712             4.35600             0.21233
     C             3.45891             5.14833             0.23775
     C             7.61873             3.82821             2.59063
     C             6.63634             3.25617             1.45124
     C             5.74627             4.30441             1.03951
     C             5.85623             5.45403             1.92990
     C             6.79702             5.16472             2.95742
     C             4.74755             0.34178             2.52572
     C             3.99152             0.71551             1.33571
     C             4.73147             1.75521             0.67111
     C             6.02000             2.01601             1.42912
     C             5.99055             1.11971             2.57444
     C             0.70975             1.35083             2.75043
     C             0.67156             2.19680             1.56977
     C             1.80151             1.88822             0.74903
     C             2.51428             0.74693             1.34041
     C             1.82932             0.39425             2.62892
     C             0.47178             5.45613             3.17234
     C             1.08982             5.84782             1.90306
     C             1.00339             4.67742             0.94682
     C             0.26752             3.59410             1.63773
     C            -0.03038             4.08152             3.04291
     C             4.31887             6.89228             3.24595
     C             4.73801             6.34306             1.96534
     C             3.50451             6.19424             1.16992
     C             2.32673             6.60519             1.99129
     C             2.86482             7.05261             3.27419
     C             4.73609             2.74885             6.69567
     C             3.48546             1.92861             6.78607
     C             2.33816             2.87643             6.91310
     C             2.91455             4.26044             7.09206
     C             4.39103             4.16578             6.86311
     C             6.55583             1.53374             3.81310
     C             5.73041             1.31016             4.98701
     C             5.86490             2.40992             5.88734
     C             6.70618             3.38332             5.20872
     C             7.50769             2.82156             3.91798
     C             2.56080             0.07941             3.79769
     C             2.18568             0.46786             5.19287
     C             3.45568             0.77419             5.95889
     C             4.55600             0.53882             5.03508
     C             4.07176             0.02878             3.73684
     C             0.11495             3.21023             4.17889
     C             0.55795             3.65918             5.46578
     C             1.15412             2.55324             6.17287
     C             1.06616             1.34862             5.29783
     C             0.41015             1.80275             4.05347
     C             2.19348             6.72387             4.49532
     C             2.99830             6.30533             5.65653
     C             2.19705             5.34502             6.43609
     C             0.97785             5.00688             5.56803
     C             1.00579             5.91435             4.46038
     C             6.33564             5.59762             4.19033
     C             6.20339             4.67221             5.29262
     C             5.13910             5.11146             6.14932
     C             4.44047             6.20071             5.51912
     C             5.12817             6.50895             4.33314
     C             9.29606             3.89194             2.28554
     C             9.15925             3.10755             3.58103
     C            10.50099             4.21644             1.74203
     H            10.57759             4.75130             0.80145
     C            11.66057             3.77159             2.33534
     H            12.66326             3.92689             1.93082
     C            11.59613             3.16092             3.58782
     H            12.50150             2.94879             4.10546
     C            10.37463             2.84836             4.20906
     H            10.36257             2.44113             5.20646
           70
 Energy:   -461.7654490141486    
     C             4.51410             4.20075             0.29652
     C             3.99309             2.83781             0.17357
     C             2.55261             2.91072             0.13458
     C             2.14623             4.31839             0.21455
     C             3.36920             5.11472             0.21152
     C             7.60481             3.78508             2.56350
     C             6.63687             3.28919             1.38302
     C             5.76627             4.35025             0.95138
     C             5.82756             5.42651             1.84856
     C             6.79365             5.18918             2.91184
     C             4.73913             0.38185             2.55221
     C             3.97483             0.69674             1.32388
     C             4.77940             1.76250             0.64690
     C             6.00479             1.98666             1.38426
     C             6.00805             1.13387             2.56792
     C             0.72171             1.28415             2.74460
     C             0.66103             2.21297             1.58163
     C             1.82712             1.86477             0.71608
     C             2.56020             0.75262             1.33186
     C             1.81901             0.37751             2.55867
     C             0.43798             5.49319             3.21580
     C             1.09687             5.86544             1.94016
     C             1.02060             4.73034             1.02359
     C             0.31750             3.60266             1.72065
     C             0.00059             4.08962             3.04213
     C             4.35006             6.82911             3.23792
     C             4.68614             6.29349             1.95199
     C             3.47520             6.24668             1.11655
     C             2.32808             6.59776             1.99346
     C             2.90702             7.04007             3.29712
     C             4.71911             2.69630             6.69704
     C             3.48584             1.94193             6.80285
     C             2.37022             2.85738             6.96499
     C             2.91125             4.22769             7.08344
     C             4.37150             4.09960             6.85973
     C             6.56788             1.50960             3.81855
     C             5.77456             1.27209             4.98340
     C             5.85428             2.36239             5.86166
     C             6.68169             3.34110             5.23246
     C             7.55291             2.82388             3.89838
     C             2.57401             0.04607             3.80439
     C             2.16862             0.49329             5.17487
     C             3.38428             0.78475             5.92945
     C             4.57069             0.51314             5.03174
     C             4.02780             0.09314             3.76183
     C             0.10696             3.21396             4.12858
     C             0.53060             3.72076             5.45234
     C             1.16158             2.58933             6.18007
     C             1.04841             1.39959             5.28499
     C             0.42297             1.80436             4.03198
     C             2.22673             6.71476             4.49594
     C             3.00386             6.28508             5.64940
     C             2.21321             5.31701             6.45528
     C             1.00549             5.06491             5.67841
     C             0.93876             5.95648             4.45736
     C             6.32821             5.63168             4.20941
     C             6.33197             4.71804             5.33213
     C             5.15081             5.09496             6.18039
     C             4.41482             6.21012             5.58204
     C             5.18130             6.55201             4.34049
     C             9.24353             3.97849             2.35110
     C             9.15127             3.17296             3.65667
     C            10.48199             4.25478             1.76991
     H            10.59850             4.88791             0.89448
     C            11.65877             3.81555             2.42071
     H            12.57245             4.04360             1.87773
     C            11.65373             3.18408             3.66320
     H            12.60399             3.02186             4.18222
     C            10.41034             2.87110             4.25954
     H            10.41700             2.49632             5.24399
           70
 Energy:   -461.7209346641134    
     C             4.49350             4.19315             0.23462
     C             3.99639             2.86105             0.14777
     C             2.52975             2.90820             0.13027
     C             2.08493             4.30709             0.19615
     C             3.32442             5.10899             0.28380
     C             7.55911             3.81704             2.59391
     C             6.58747             3.29176             1.34311
     C             5.76758             4.39181             0.84476
     C             5.83305             5.49592             1.78463
     C             6.71218             5.18237             2.85561
     C             4.72077             0.39356             2.57726
     C             4.02813             0.70525             1.34004
     C             4.73887             1.73971             0.64797
     C             6.06289             1.98790             1.34314
     C             5.99442             1.15139             2.56740
     C             0.67188             1.26981             2.70158
     C             0.69000             2.22904             1.58030
     C             1.80533             1.82758             0.72133
     C             2.57226             0.72648             1.36295
     C             1.89978             0.34760             2.60122
     C             0.41181             5.51214             3.21332
     C             1.13581             5.88009             1.98705
     C             1.04791             4.67253             1.08818
     C             0.37790             3.63074             1.78774
     C             0.00770             4.13722             3.08457
     C             4.38493             6.83796             3.20290
     C             4.67426             6.27084             1.89037
     C             3.43218             6.24251             1.09550
     C             2.35153             6.63506             1.99365
     C             2.92427             6.98039             3.28087
     C             4.74284             2.67888             6.70645
     C             3.50117             1.87854             6.75857
     C             2.33950             2.81562             6.99147
     C             2.91637             4.17348             7.01326
     C             4.36457             4.06993             6.89289
     C             6.59817             1.49217             3.78749
     C             5.80935             1.18007             4.99580
     C             5.84991             2.39201             5.83628
     C             6.73269             3.38498             5.24460
     C             7.55694             2.79668             3.97531
     C             2.55281             0.02743             3.78273
     C             2.14409             0.52804             5.10553
     C             3.38152             0.79965             5.88217
     C             4.52022             0.48737             5.02629
     C             3.99127             0.10255             3.72827
     C             0.04814             3.24884             4.17659
     C             0.51985             3.74963             5.47363
     C             1.18923             2.63283             6.17170
     C             1.08692             1.44692             5.27960
     C             0.39518             1.82822             4.03250
     C             2.22181             6.69496             4.50333
     C             3.01064             6.28861             5.69215
     C             2.25735             5.28489             6.40448
     C             0.94788             5.09153             5.70343
     C             0.94382             5.98863             4.51913
     C             6.36638             5.66375             4.18131
     C             6.37977             4.74602             5.41546
     C             5.15330             5.03654             6.23101
     C             4.48760             6.20724             5.62717
     C             5.16968             6.54880             4.37942
     C             9.19601             3.99806             2.41360
     C             9.14445             3.22049             3.69129
     C            10.41349             4.28849             1.88736
     H            10.43577             4.82677             0.94526
     C            11.62139             3.88443             2.47560
     H            12.60926             4.05932             2.05577
     C            11.61477             3.23026             3.71366
     H            12.56935             2.94857             4.23890
     C            10.38996             2.92381             4.30200
     H            10.38727             2.38507             5.20988
           70
 Energy:   -462.2307108578472    
     C             4.47765             4.20358             0.13502
     C             3.97532             2.81893             0.07431
     C             2.51513             2.86764             0.07830
     C             2.11510             4.30222             0.20930
     C             3.32069             5.07717             0.28111
     C             7.49521             3.82682             2.69102
     C             6.58760             3.33398             1.35849
     C             5.75828             4.40382             0.79201
     C             5.85637             5.52255             1.68773
     C             6.64551             5.17769             2.88285
     C             4.75747             0.41356             2.54540
     C             3.98809             0.71693             1.36557
     C             4.74193             1.76996             0.63490
     C             6.02182             1.98976             1.32007
     C             6.00135             1.16293             2.54910
     C             0.67570             1.29374             2.76718
     C             0.70760             2.20343             1.60757
     C             1.82545             1.82783             0.74391
     C             2.57646             0.71572             1.37283
     C             1.79463             0.40317             2.60913
     C             0.45329             5.58002             3.28037
     C             1.15111             5.84647             1.98098
     C             1.08247             4.67307             1.12336
     C             0.39694             3.58095             1.84689
     C            -0.03704             4.15040             3.15044
     C             4.36972             6.85392             3.21197
     C             4.70492             6.38350             1.85638
     C             3.44829             6.20719             1.14900
     C             2.33607             6.65573             1.99518
     C             2.92528             6.95171             3.30864
     C             4.75979             2.65784             6.70134
     C             3.48999             1.85952             6.75620
     C             2.36667             2.77614             6.93594
     C             2.92339             4.12848             6.96945
     C             4.39420             4.05725             6.91139
     C             6.63198             1.46489             3.81065
     C             5.79509             1.19770             5.01107
     C             5.88131             2.39834             5.82375
     C             6.79306             3.40468             5.26604
     C             7.48683             2.82505             4.01090
     C             2.54883             0.03400             3.79132
     C             2.17489             0.54800             5.09259
     C             3.39173             0.76705             5.81657
     C             4.54897             0.47960             4.97084
     C             4.01938             0.02202             3.71061
     C            -0.03203             3.28595             4.26949
     C             0.49214             3.73142             5.53870
     C             1.17720             2.61523             6.13388
     C             1.10941             1.49125             5.21577
     C             0.32917             1.87252             4.02994
     C             2.26502             6.69649             4.52297
     C             3.08444             6.30417             5.69414
     C             2.23673             5.23568             6.36242
     C             0.93631             5.08989             5.66758
     C             0.94767             5.99651             4.52494
     C             6.37169             5.63089             4.19893
     C             6.36474             4.76126             5.40712
     C             5.19598             5.06598             6.24982
     C             4.48678             6.18052             5.64122
     C             5.16019             6.50731             4.35543
     C             9.13222             3.97806             2.48820
     C             9.07449             3.22336             3.73127
     C            10.35825             4.33155             1.98460
     H            10.42397             4.77477             0.99317
     C            11.55912             3.96279             2.55576
     H            12.46298             4.21950             1.99972
     C            11.50734             3.29093             3.74474
     H            12.46439             2.89911             4.19685
     C            10.28417             2.96061             4.33354
     H            10.28600             2.32073             5.20325
           70
 Energy:   -462.8034446893802    
     C             4.52411             4.16472             0.07482
     C             3.97945             2.80602            -0.05010
     C             2.51253             2.86473             0.02581
     C             2.14249             4.25496             0.25890
     C             3.38283             5.09267             0.24708
     C             7.39424             3.83163             2.67911
     C             6.56158             3.32027             1.39248
     C             5.76632             4.39311             0.80406
     C             5.84854             5.56218             1.70374
     C             6.63398             5.18128             2.88545
     C             4.76157             0.37112             2.52292
     C             3.96789             0.76797             1.34633
     C             4.71843             1.77155             0.62624
     C             5.98713             2.06176             1.36181
     C             6.05454             1.17964             2.55160
     C             0.66728             1.37721             2.81013
     C             0.69221             2.21993             1.66170
     C             1.82653             1.84301             0.76524
     C             2.49496             0.73389             1.41134
     C             1.77193             0.39486             2.64349
     C             0.46558             5.53439             3.24834
     C             1.13446             5.84393             2.00197
     C             1.08771             4.62644             1.15061
     C             0.37164             3.59470             1.89366
     C            -0.05997             4.18281             3.17801
     C             4.38150             6.86400             3.23060
     C             4.75953             6.48853             1.87197
     C             3.47430             6.19234             1.15032
     C             2.34542             6.59050             2.02209
     C             2.91723             6.99739             3.31249
     C             4.76702             2.64584             6.69896
     C             3.54535             1.84989             6.72374
     C             2.40488             2.77508             6.83014
     C             2.93900             4.13814             6.96206
     C             4.42761             4.06592             6.88838
     C             6.62177             1.47358             3.81036
     C             5.80628             1.27890             4.95385
     C             5.89689             2.38311             5.88859
     C             6.75537             3.37753             5.31897
     C             7.41223             2.83459             4.01474
     C             2.56432             0.02984             3.73823
     C             2.19467             0.56335             5.07052
     C             3.45101             0.76898             5.84399
     C             4.60385             0.47070             4.95350
     C             4.06487            -0.05099             3.67479
     C            -0.14117             3.29648             4.29521
     C             0.42394             3.73765             5.59535
     C             1.19151             2.55989             6.14014
     C             1.11187             1.47429             5.16624
     C             0.28129             1.91294             4.07310
     C             2.28356             6.71967             4.55872
     C             3.02955             6.23745             5.69806
     C             2.26648             5.22770             6.36709
     C             1.01112             5.04824             5.65830
     C             1.01504             6.02315             4.53296
     C             6.27160             5.59529             4.19971
     C             6.37243             4.72140             5.36582
     C             5.22232             5.09249             6.26520
     C             4.48384             6.17854             5.58912
     C             5.15559             6.46280             4.34193
     C             9.05754             4.01297             2.52230
     C             8.93733             3.17708             3.79929
     C            10.26220             4.36434             1.98983
     H            10.26845             4.95985             1.07030
     C            11.46814             4.05494             2.62464
     H            12.43761             4.29005             2.15456
     C            11.39748             3.31845             3.80145
     H            12.33867             2.95811             4.28269
     C            10.18699             2.93352             4.38133
     H            10.22864             2.39495             5.35049
           70
 Energy:   -462.7055185199870    
     C             4.59334             4.15548             0.04763
     C             4.03636             2.79656            -0.14807
     C             2.53161             2.85360             0.02883
     C             2.18368             4.27575             0.29867
     C             3.42407             5.06956             0.24524
     C             7.35823             3.83627             2.63919
     C             6.51919             3.34945             1.43235
     C             5.76103             4.42360             0.85808
     C             5.84409             5.56298             1.76580
     C             6.63594             5.20140             2.87189
     C             4.78253             0.32865             2.46292
     C             3.92548             0.76997             1.36092
     C             4.69665             1.79572             0.62044
     C             5.93127             2.05930             1.40810
     C             6.00519             1.14182             2.52720
     C             0.66087             1.37451             2.82148
     C             0.67859             2.31965             1.67354
     C             1.74460             1.89614             0.78924
     C             2.50557             0.77079             1.41713
     C             1.78899             0.41147             2.65289
     C             0.47009             5.52809             3.28842
     C             1.15485             5.81027             1.99134
     C             1.09253             4.61154             1.17005
     C             0.31167             3.64162             1.89006
     C            -0.08341             4.16780             3.17929
     C             4.38278             6.94515             3.22328
     C             4.75011             6.47916             1.87069
     C             3.52289             6.22603             1.13034
     C             2.40197             6.51476             2.04926
     C             2.94333             7.04618             3.31188
     C             4.80464             2.69297             6.73361
     C             3.59727             1.89440             6.68332
     C             2.46162             2.79057             6.77809
     C             2.99974             4.12790             6.96358
     C             4.43037             4.07135             6.87911
     C             6.59287             1.56851             3.76973
     C             5.76916             1.25691             4.95050
     C             5.91175             2.32623             5.91278
     C             6.72995             3.35352             5.32498
     C             7.33211             2.82767             4.01034
     C             2.62763             0.00164             3.76252
     C             2.25680             0.56046             5.03650
     C             3.50163             0.74551             5.81229
     C             4.62385             0.44331             4.94964
     C             4.08925            -0.05395             3.68841
     C            -0.21060             3.29443             4.32061
     C             0.39386             3.71669             5.61781
     C             1.18426             2.57707             6.13588
     C             1.09805             1.45027             5.21582
     C             0.26505             1.89139             4.08684
     C             2.26936             6.75481             4.54894
     C             3.07302             6.22914             5.68194
     C             2.29120             5.21721             6.39608
     C             1.04440             5.01674             5.65432
     C             1.01556             5.94077             4.49954
     C             6.22513             5.52105             4.14893
     C             6.31489             4.70667             5.38031
     C             5.20833             5.08612             6.24609
     C             4.44672             6.16190             5.59638
     C             5.09805             6.46547             4.33704
     C             8.95148             4.00518             2.55802
     C             8.86165             3.17879             3.76507
     C            10.14605             4.42617             2.00368
     H            10.18092             5.07264             1.11222
     C            11.32409             4.10569             2.68984
     H            12.31862             4.46075             2.37376
     C            11.27140             3.33401             3.86170
     H            12.22306             3.15106             4.36847
     C            10.05696             2.89138             4.43677
     H            10.03000             2.42960             5.46945
           70
 Energy:   -462.5236247301705    
     C             4.59205             4.21381             0.04167
     C             4.05049             2.79923            -0.13478
     C             2.55701             2.89973             0.06444
     C             2.23711             4.29104             0.31146
     C             3.46176             5.07453             0.28968
     C             7.32801             3.85801             2.64742
     C             6.46112             3.33577             1.45481
     C             5.73099             4.44356             0.87852
     C             5.81942             5.55782             1.76256
     C             6.65766             5.19811             2.88930
     C             4.74346             0.26950             2.47163
     C             3.93275             0.75830             1.33569
     C             4.69912             1.77560             0.64340
     C             5.89669             2.06729             1.38996
     C             5.93744             1.11821             2.51000
     C             0.66624             1.35977             2.80324
     C             0.65365             2.27950             1.70903
     C             1.77860             1.93857             0.77221
     C             2.48605             0.84662             1.39597
     C             1.83827             0.45973             2.64950
     C             0.45576             5.50600             3.25955
     C             1.23163             5.78966             2.04944
     C             1.11007             4.66095             1.14539
     C             0.25665             3.66275             1.83775
     C            -0.14170             4.16344             3.19572
     C             4.41056             7.03925             3.18574
     C             4.75419             6.45101             1.89815
     C             3.53928             6.20483             1.11842
     C             2.43116             6.50527             2.03462
     C             2.92845             7.05851             3.29710
     C             4.87223             2.67546             6.76302
     C             3.62099             1.89348             6.62573
     C             2.47303             2.80394             6.77869
     C             3.00124             4.14577             6.95770
     C             4.47282             4.08394             6.92602
     C             6.43153             1.54367             3.72797
     C             5.80883             1.20635             4.95779
     C             5.94159             2.31208             5.90570
     C             6.71954             3.36603             5.30098
     C             7.29244             2.88851             3.96729
     C             2.63130             0.00938             3.74439
     C             2.26767             0.57499             5.09240
     C             3.51278             0.78290             5.79611
     C             4.63719             0.38863             4.93587
     C             4.11929            -0.05211             3.66289
     C            -0.17748             3.24248             4.32362
     C             0.43177             3.70407             5.59427
     C             1.22388             2.60358             6.16018
     C             1.11673             1.42626             5.26609
     C             0.26117             1.81621             4.11222
     C             2.24737             6.71536             4.52541
     C             3.03744             6.29706             5.67904
     C             2.30019             5.22963             6.37409
     C             1.02614             4.98664             5.67125
     C             1.05250             5.88491             4.53509
     C             6.18710             5.51058             4.18011
     C             6.25197             4.68044             5.36979
     C             5.15833             5.07141             6.22608
     C             4.47695             6.16094             5.60959
     C             5.09954             6.46100             4.32304
     C             8.89627             3.99493             2.51525
     C             8.81540             3.14940             3.74769
     C            10.02469             4.48469             2.07661
     H            10.11505             5.06679             1.16127
     C            11.15249             4.13652             2.76968
     H            12.05747             4.64186             2.43518
     C            11.10745             3.36150             3.93584
     H            11.98389             3.20804             4.51988
     C             9.92633             2.89689             4.44309
     H             9.92941             2.32471             5.40738
           70
 Energy:   -462.4730750009801    
     C             4.56585             4.19854             0.05939
     C             4.02923             2.86232            -0.02285
     C             2.58999             2.95596             0.08944
     C             2.23352             4.33898             0.32232
     C             3.44341             5.11117             0.29619
     C             7.21476             3.85848             2.62314
     C             6.42924             3.32566             1.45181
     C             5.72720             4.39902             0.85539
     C             5.84999             5.56526             1.77693
     C             6.61500             5.22279             2.91206
     C             4.70659             0.26829             2.41208
     C             3.92501             0.71196             1.28408
     C             4.68156             1.77142             0.59596
     C             5.89751             2.02887             1.37809
     C             5.89244             1.12317             2.49223
     C             0.68803             1.32627             2.84845
     C             0.64029             2.26380             1.63522
     C             1.81455             1.98372             0.79447
     C             2.54687             0.85795             1.39309
     C             1.86513             0.51755             2.62663
     C             0.48397             5.47136             3.29729
     C             1.25932             5.75453             2.09246
     C             1.11566             4.66294             1.13373
     C             0.24468             3.62515             1.78444
     C            -0.17396             4.13290             3.13935
     C             4.42156             7.03261             3.22667
     C             4.76899             6.49312             1.88430
     C             3.54545             6.20123             1.20250
     C             2.42311             6.57485             2.01730
     C             2.93913             7.06536             3.28092
     C             4.88154             2.63015             6.77062
     C             3.63829             1.92464             6.64614
     C             2.51418             2.81577             6.82084
     C             3.01360             4.17308             6.96804
     C             4.47677             4.05264             7.01244
     C             6.40358             1.56335             3.72661
     C             5.83336             1.16445             5.00189
     C             5.99121             2.30652             5.90052
     C             6.69659             3.36008             5.25232
     C             7.18506             2.83932             3.90181
     C             2.59783             0.07607             3.76105
     C             2.25481             0.54220             5.08827
     C             3.53992             0.79776             5.78281
     C             4.65035             0.36527             4.96065
     C             4.04164            -0.10792             3.67777
     C            -0.08137             3.18878             4.28396
     C             0.51111             3.66540             5.55718
     C             1.26116             2.56160             6.15441
     C             1.13841             1.41625             5.28946
     C             0.28865             1.76231             4.14867
     C             2.27060             6.66173             4.48735
     C             3.01627             6.33795             5.70914
     C             2.30112             5.25792             6.37216
     C             1.04482             5.00986             5.68569
     C             1.01421             5.88398             4.49440
     C             6.20915             5.55385             4.19328
     C             6.22417             4.66487             5.32950
     C             5.15813             5.07199             6.23421
     C             4.41465             6.24697             5.57692
     C             5.12612             6.50795             4.32880
     C             8.78603             3.96442             2.49978
     C             8.70848             3.10520             3.71388
     C             9.96569             4.52455             2.08792
     H            10.03718             5.23051             1.25276
     C            11.06265             4.20618             2.87909
     H            12.06628             4.52068             2.61749
     C            11.00916             3.42763             4.00977
     H            11.92552             3.24751             4.50437
     C             9.83665             2.87042             4.46431
     H             9.80435             2.20920             5.34766
           70
 Energy:   -462.2770789017634    
     C             4.55022             4.23333             0.12932
     C             3.98883             2.88999             0.05457
     C             2.54999             2.98465             0.14092
     C             2.17161             4.38382             0.28836
     C             3.43405             5.17281             0.28833
     C             7.11868             3.81348             2.63349
     C             6.42308             3.28462             1.40578
     C             5.74050             4.44607             0.85055
     C             5.83660             5.59982             1.70768
     C             6.57022             5.19999             2.89797
     C             4.67450             0.25792             2.44811
     C             3.95333             0.67726             1.19092
     C             4.69271             1.75488             0.54662
     C             5.89576             1.99173             1.32916
     C             5.87132             1.11382             2.52642
     C             0.69308             1.35869             2.77480
     C             0.64322             2.23575             1.60675
     C             1.85158             1.96803             0.80985
     C             2.53091             0.86627             1.39595
     C             1.88925             0.51032             2.64207
     C             0.48309             5.38072             3.25993
     C             1.23207             5.74773             2.06165
     C             1.09053             4.62623             1.17302
     C             0.25204             3.61089             1.75459
     C            -0.10828             4.05085             3.09784
     C             4.40901             6.98834             3.22587
     C             4.80038             6.54492             1.91039
     C             3.53835             6.23705             1.20004
     C             2.38262             6.62113             2.05762
     C             2.96627             7.07956             3.32406
     C             4.88489             2.67954             6.79058
     C             3.63267             1.87941             6.69244
     C             2.50703             2.81802             6.84996
     C             3.03615             4.16131             7.02967
     C             4.51113             4.09446             7.00178
     C             6.43497             1.48710             3.73317
     C             5.83777             1.14779             4.98889
     C             5.97475             2.27480             5.95517
     C             6.63540             3.34198             5.19238
     C             7.09448             2.80716             3.88251
     C             2.58816             0.08602             3.76708
     C             2.28186             0.53889             5.10364
     C             3.49960             0.77943             5.81588
     C             4.63393             0.34988             4.94786
     C             4.03812            -0.11328             3.64986
     C             0.00131             3.19633             4.23166
     C             0.60925             3.67112             5.50906
     C             1.32082             2.54281             6.15751
     C             1.15501             1.35536             5.29584
     C             0.34871             1.77116             4.12223
     C             2.26560             6.67229             4.47755
     C             3.01027             6.33809             5.68023
     C             2.30132             5.27332             6.43755
     C             1.05276             5.00572             5.65614
     C             1.01973             5.91603             4.52473
     C             6.24276             5.64449             4.19041
     C             6.22263             4.69337             5.31106
     C             5.12983             5.12020             6.24752
     C             4.45297             6.24155             5.63268
     C             5.15059             6.59499             4.39229
     C             8.74628             3.96172             2.47675
     C             8.62903             3.04178             3.67526
     C             9.91154             4.52594             2.13949
     H             9.98204             5.29621             1.38071
     C            11.03947             4.30269             2.94118
     H            11.98051             4.67312             2.53608
     C            10.94924             3.47748             4.11330
     H            11.83444             3.20807             4.65911
     C             9.72616             2.83130             4.44275
     H             9.68495             2.20836             5.31793
           70
 Energy:   -462.1624315223733    
     C             4.48737             4.27819             0.18597
     C             3.97975             2.89992             0.07183
     C             2.51903             2.99524             0.16256
     C             2.14863             4.38951             0.24104
     C             3.37280             5.20498             0.27980
     C             7.09935             3.79182             2.60475
     C             6.39779             3.31030             1.34492
     C             5.75084             4.47791             0.79485
     C             5.85924             5.63231             1.71938
     C             6.50727             5.19671             2.87943
     C             4.68360             0.27133             2.40704
     C             3.94018             0.63377             1.21692
     C             4.70345             1.72051             0.52322
     C             5.91632             1.96501             1.31927
     C             5.86941             1.08865             2.48732
     C             0.70654             1.34864             2.74367
     C             0.66663             2.23118             1.58508
     C             1.80748             1.94145             0.78227
     C             2.56084             0.80825             1.36900
     C             1.85559             0.48786             2.62573
     C             0.50803             5.39453             3.28503
     C             1.18141             5.78219             2.04752
     C             1.07386             4.65116             1.11394
     C             0.27404             3.56103             1.75941
     C             0.00623             4.02139             3.11852
     C             4.41868             7.00863             3.28413
     C             4.74726             6.53535             1.89172
     C             3.50039             6.35964             1.15601
     C             2.37986             6.59582             2.07477
     C             2.92999             7.05843             3.34727
     C             4.86938             2.68953             6.81763
     C             3.64953             1.87567             6.76452
     C             2.52096             2.78330             6.89888
     C             3.02115             4.18476             7.09054
     C             4.48248             4.12844             6.95182
     C             6.46467             1.38361             3.75194
     C             5.78817             1.09201             5.00915
     C             5.92507             2.28690             5.92324
     C             6.52160             3.37171             5.22044
     C             7.08967             2.78958             3.89878
     C             2.62262             0.01821             3.76761
     C             2.27812             0.51272             5.11169
     C             3.53337             0.72290             5.86293
     C             4.59812             0.35957             4.95145
     C             4.06527            -0.06587             3.67769
     C             0.08362             3.18373             4.25455
     C             0.67545             3.65392             5.45614
     C             1.31326             2.55676             6.11670
     C             1.13561             1.36656             5.27666
     C             0.41310             1.80113             4.03114
     C             2.24078             6.73076             4.56217
     C             3.07390             6.28026             5.70174
     C             2.30430             5.26825             6.46686
     C             1.09715             4.99928             5.67463
     C             1.01879             5.88679             4.48614
     C             6.27258             5.70150             4.18387
     C             6.23199             4.73551             5.32918
     C             5.20379             5.12299             6.22492
     C             4.48441             6.27178             5.67873
     C             5.16928             6.66604             4.43587
     C             8.71274             3.92203             2.51430
     C             8.61297             2.97654             3.62817
     C             9.89272             4.55722             2.20904
     H             9.95046             5.22995             1.35970
     C            10.99642             4.32863             3.02806
     H            11.95047             4.84366             2.86706
     C            10.86436             3.51800             4.13622
     H            11.68951             3.39960             4.84202
     C             9.70462             2.82184             4.41792
     H             9.63317             2.23057             5.29014
           70
 Energy:   -462.0402291189725    
     C             4.44827             4.28448             0.17017
     C             3.97973             2.89607             0.07298
     C             2.54636             2.95722             0.11021
     C             2.12137             4.37811             0.22933
     C             3.30631             5.24061             0.27740
     C             7.13498             3.81847             2.59942
     C             6.39706             3.34200             1.32759
     C             5.71240             4.52285             0.75593
     C             5.79815             5.63784             1.71082
     C             6.52720             5.19536             2.92283
     C             4.71621             0.25959             2.43927
     C             3.94890             0.65367             1.24452
     C             4.66687             1.72177             0.53516
     C             5.92856             2.00751             1.30061
     C             5.96214             1.06026             2.46097
     C             0.73054             1.30013             2.74615
     C             0.66462             2.19699             1.58519
     C             1.81521             1.87372             0.69491
     C             2.50525             0.74523             1.32876
     C             1.87961             0.38795             2.59361
     C             0.54355             5.43656             3.27449
     C             1.16346             5.82230             2.01621
     C             0.98792             4.72622             1.04757
     C             0.34685             3.61545             1.78019
     C             0.08823             4.08483             3.14932
     C             4.36023             7.05450             3.27756
     C             4.70592             6.55148             1.90188
     C             3.42727             6.39314             1.10832
     C             2.35151             6.58534             2.08176
     C             2.89816             7.02938             3.38194
     C             4.84283             2.66334             6.81213
     C             3.64279             1.84301             6.81172
     C             2.47007             2.78323             6.94865
     C             2.98701             4.16527             7.09110
     C             4.46664             4.08796             6.92960
     C             6.46418             1.37309             3.74569
     C             5.81259             1.11663             5.04877
     C             5.80454             2.31386             5.86636
     C             6.51686             3.36683             5.16456
     C             7.08432             2.73681             3.92887
     C             2.59775            -0.01595             3.74816
     C             2.24591             0.45343             5.12060
     C             3.51493             0.71654             5.92490
     C             4.60742             0.35368             4.99945
     C             4.07430            -0.02434             3.66147
     C             0.13482             3.19443             4.21484
     C             0.69407             3.66630             5.48918
     C             1.35342             2.53551             6.12803
     C             1.17696             1.38779             5.21340
     C             0.44302             1.79913             4.06299
     C             2.26325             6.74838             4.63311
     C             3.07951             6.27482             5.77571
     C             2.32673             5.24615             6.43874
     C             1.11979             4.97269             5.66944
     C             1.08361             5.88338             4.56501
     C             6.27155             5.68310             4.21232
     C             6.29850             4.75544             5.30086
     C             5.21534             5.14103             6.26038
     C             4.53170             6.31108             5.68735
     C             5.21272             6.68837             4.42156
     C             8.73505             3.91479             2.52064
     C             8.60222             2.94043             3.62383
     C             9.87735             4.56598             2.25808
     H             9.96678             5.21802             1.39990
     C            10.93389             4.37821             3.10246
     H            11.83448             5.00113             3.05249
     C            10.82511             3.53790             4.18565
     H            11.60465             3.62098             4.96100
     C             9.69676             2.77624             4.42865
     H             9.65974             2.18754             5.30935
           70
 Energy:   -461.6876072132038    
     C             4.44805             4.29831             0.09988
     C             3.97344             2.91082             0.03824
     C             2.49522             2.92611             0.04914
     C             2.06196             4.35034             0.21594
     C             3.30133             5.18994             0.24469
     C             7.15886             3.81873             2.62694
     C             6.41604             3.39321             1.34254
     C             5.66917             4.52079             0.82143
     C             5.72535             5.62928             1.77061
     C             6.54415             5.22583             2.86824
     C             4.76433             0.27761             2.44499
     C             3.94539             0.69609             1.26441
     C             4.66955             1.80175             0.61307
     C             5.91827             2.03240             1.28977
     C             6.02237             1.04321             2.45859
     C             0.74543             1.25712             2.76921
     C             0.69337             2.22877             1.58878
     C             1.79224             1.81661             0.66262
     C             2.52641             0.66002             1.26891
     C             1.85163             0.31683             2.55677
     C             0.61276             5.51531             3.31237
     C             1.13129             5.88659             1.98867
     C             0.95309             4.74837             1.02431
     C             0.39615             3.63514             1.79669
     C             0.12231             4.13280             3.12546
     C             4.35359             7.04286             3.25349
     C             4.66099             6.59793             1.89887
     C             3.41239             6.34360             1.16343
     C             2.31228             6.66046             2.09699
     C             2.89591             7.03063             3.39159
     C             4.78347             2.65567             6.77471
     C             3.54742             1.82182             6.85602
     C             2.46925             2.74649             6.99826
     C             3.01882             4.10314             7.04656
     C             4.46425             4.06818             6.94602
     C             6.47392             1.42064             3.76240
     C             5.80216             1.13903             5.00252
     C             5.80049             2.36654             5.79242
     C             6.54986             3.34931             5.13104
     C             7.11873             2.77014             3.83391
     C             2.62253            -0.02219             3.76728
     C             2.26018             0.40109             5.12453
     C             3.43632             0.68220             5.90769
     C             4.62259             0.34569             5.03072
     C             4.06293            -0.02515             3.70788
     C             0.16333             3.23281             4.22777
     C             0.65127             3.62379             5.53049
     C             1.34674             2.50215             6.13526
     C             1.26135             1.38280             5.24173
     C             0.45316             1.78664             4.05722
     C             2.32018             6.71443             4.63829
     C             3.10622             6.37386             5.82005
     C             2.35477             5.19712             6.44983
     C             1.15171             4.96695             5.68824
     C             1.10392             5.92301             4.57688
     C             6.26746             5.67318             4.17870
     C             6.28630             4.71156             5.36109
     C             5.22150             5.11925             6.28484
     C             4.52785             6.31760             5.70032
     C             5.17798             6.66477             4.38071
     C             8.74804             3.89495             2.52680
     C             8.62585             2.93838             3.65780
     C             9.87790             4.57428             2.23467
     H             9.96966             5.35325             1.47147
     C            10.91261             4.46624             3.18752
     H            11.78475             5.10690             2.98696
     C            10.82222             3.56272             4.28252
     H            11.59879             3.49893             5.07467
     C             9.70122             2.70897             4.46689
     H             9.65571             2.03397             5.31881
           70
 Energy:   -461.6733514308106    
     C             4.46694             4.27924             0.05916
     C             3.93103             2.91218            -0.03413
     C             2.44025             2.90903             0.00429
     C             2.07102             4.35588             0.16009
     C             3.28751             5.16747             0.26422
     C             7.20187             3.86564             2.57419
     C             6.40937             3.38699             1.38192
     C             5.59626             4.49644             0.89767
     C             5.68106             5.61131             1.79053
     C             6.56049             5.25580             2.86876
     C             4.74345             0.29048             2.45656
     C             3.98949             0.74054             1.30612
     C             4.64094             1.88770             0.67935
     C             5.96505             2.07636             1.36503
     C             6.00001             1.08312             2.45606
     C             0.74272             1.29493             2.72429
     C             0.75850             2.22549             1.64548
     C             1.76682             1.82531             0.67930
     C             2.53010             0.62219             1.25492
     C             1.85125             0.28501             2.57586
     C             0.59496             5.51100             3.29214
     C             1.10063             5.96257             1.99531
     C             1.00824             4.73483             1.07280
     C             0.38411             3.62210             1.80869
     C             0.14573             4.13668             3.18340
     C             4.36448             7.02259             3.25372
     C             4.66977             6.56080             1.89141
     C             3.40521             6.25261             1.19918
     C             2.32099             6.73862             2.04153
     C             2.92636             7.09411             3.36202
     C             4.78625             2.61125             6.68858
     C             3.57368             1.74528             6.81265
     C             2.43702             2.72213             6.99437
     C             3.02165             4.09019             7.03224
     C             4.47666             4.04330             6.96068
     C             6.50735             1.45548             3.69558
     C             5.74670             1.18999             4.94005
     C             5.81846             2.34054             5.79202
     C             6.58888             3.38928             5.12325
     C             7.12330             2.82904             3.84466
     C             2.63453            -0.03532             3.74189
     C             2.25626             0.40663             5.10721
     C             3.49531             0.63523             5.91416
     C             4.58918             0.36641             5.01440
     C             4.13259            -0.06266             3.69030
     C             0.15175             3.21015             4.24688
     C             0.63257             3.65011             5.56823
     C             1.29540             2.51022             6.19032
     C             1.21151             1.36054             5.24235
     C             0.50579             1.80377             4.06012
     C             2.34374             6.72353             4.61282
     C             3.09264             6.37555             5.85877
     C             2.41407             5.24017             6.46853
     C             1.14941             4.96077             5.70244
     C             1.12171             5.92120             4.58727
     C             6.24163             5.63628             4.18865
     C             6.25085             4.72947             5.32757
     C             5.19297             5.09326             6.27915
     C             4.54071             6.28209             5.71130
     C             5.11282             6.56910             4.39373
     C             8.79459             3.88051             2.52022
     C             8.66855             2.96504             3.66181
     C             9.92158             4.59735             2.27669
     H             9.94728             5.33804             1.46360
     C            10.90146             4.50716             3.27890
     H            11.85215             5.05888             3.27266
     C            10.81202             3.58709             4.35074
     H            11.73406             3.50310             4.93667
     C             9.76380             2.71735             4.48640
     H             9.72594             1.88872             5.22961
           70
 Energy:   -461.8890583335459    
     C             4.40124             4.25513             0.08196
     C             3.92048             2.86705            -0.07550
     C             2.44972             2.93771            -0.03440
     C             2.07116             4.38029             0.16823
     C             3.31463             5.15208             0.26418
     C             7.28592             3.91566             2.58190
     C             6.40635             3.41716             1.40998
     C             5.56241             4.42290             0.90562
     C             5.73984             5.56828             1.77719
     C             6.59200             5.26135             2.90498
     C             4.76760             0.32540             2.44901
     C             3.93087             0.77051             1.31241
     C             4.64338             1.90055             0.70332
     C             5.87922             2.10502             1.39214
     C             5.95937             1.12466             2.46474
     C             0.79385             1.30337             2.78883
     C             0.76819             2.26150             1.65497
     C             1.81524             1.85272             0.70790
     C             2.52047             0.69725             1.30096
     C             1.85608             0.32933             2.56137
     C             0.54183             5.49438             3.31967
     C             1.11114             5.94417             2.00046
     C             1.07290             4.73061             1.11850
     C             0.40193             3.62541             1.86953
     C             0.12899             4.08986             3.19268
     C             4.37874             7.00670             3.25170
     C             4.65403             6.46597             1.92573
     C             3.42716             6.24537             1.17918
     C             2.31675             6.73934             2.01696
     C             2.90304             7.18078             3.33868
     C             4.81277             2.59068             6.67975
     C             3.62586             1.76879             6.73734
     C             2.48781             2.69639             6.95096
     C             3.01061             4.10590             7.07799
     C             4.47712             3.96624             6.91877
     C             6.49952             1.50008             3.69882
     C             5.76223             1.22834             4.86052
     C             5.88392             2.33760             5.77637
     C             6.57878             3.39153             5.18534
     C             7.18389             2.85981             3.88708
     C             2.65294            -0.06045             3.71897
     C             2.26665             0.44165             5.09831
     C             3.51153             0.58963             5.87509
     C             4.64917             0.37899             4.90875
     C             4.08640            -0.11335             3.65491
     C             0.13515             3.20676             4.28504
     C             0.62165             3.67509             5.57797
     C             1.21786             2.47906             6.23060
     C             1.15120             1.34955             5.27355
     C             0.51810             1.83009             4.04597
     C             2.32581             6.76854             4.61321
     C             3.10181             6.33752             5.79838
     C             2.35161             5.24941             6.48111
     C             1.17483             5.01604             5.71937
     C             1.13742             5.88975             4.54469
     C             6.17272             5.62425             4.18831
     C             6.23990             4.71995             5.29725
     C             5.18142             5.05922             6.25888
     C             4.48386             6.23625             5.72372
     C             5.08297             6.50616             4.40006
     C             8.86512             3.90302             2.49368
     C             8.68542             2.99954             3.66018
     C             9.99547             4.62914             2.38049
     H            10.15868             5.25820             1.50104
     C            10.93219             4.52598             3.36243
     H            11.73636             5.25740             3.25056
     C            10.87652             3.60689             4.36431
     H            11.66353             3.44233             5.09228
     C             9.76930             2.76466             4.45930
     H             9.82598             1.89458             5.16792
           70
 Energy:   -462.1559403560993    
     C             4.44433             4.20384             0.14548
     C             3.93420             2.88375            -0.06839
     C             2.46841             2.93876            -0.02915
     C             2.08461             4.36909             0.22036
     C             3.30371             5.16923             0.24627
     C             7.27362             3.91241             2.61242
     C             6.41989             3.35700             1.42450
     C             5.61640             4.43979             0.89727
     C             5.76733             5.56597             1.76700
     C             6.61586             5.25197             2.86742
     C             4.71912             0.31167             2.41310
     C             3.92771             0.77909             1.31489
     C             4.59005             1.83878             0.62968
     C             5.82082             2.13157             1.40150
     C             5.94958             1.18377             2.47753
     C             0.82589             1.35905             2.81092
     C             0.76016             2.26670             1.66041
     C             1.82861             1.93662             0.73222
     C             2.52034             0.80925             1.34622
     C             1.88703             0.39390             2.58512
     C             0.52309             5.48129             3.31872
     C             1.14137             5.85434             2.05014
     C             1.06361             4.70861             1.16094
     C             0.47380             3.63764             1.87014
     C             0.06483             4.11099             3.19018
     C             4.32805             6.99032             3.24905
     C             4.66606             6.39028             1.96092
     C             3.43927             6.29250             1.16603
     C             2.31252             6.69740             2.04855
     C             2.88643             7.21364             3.34230
     C             4.86585             2.58485             6.69904
     C             3.62658             1.78684             6.65252
     C             2.48598             2.68900             6.89362
     C             3.01771             4.07068             7.08992
     C             4.46148             3.99827             6.87865
     C             6.51902             1.58546             3.68172
     C             5.80226             1.21489             4.87077
     C             5.88952             2.29233             5.80845
     C             6.65747             3.36539             5.19040
     C             7.23580             2.86553             3.89717
     C             2.59040            -0.05821             3.72560
     C             2.27376             0.43202             5.06168
     C             3.55694             0.66108             5.78739
     C             4.65294             0.34008             4.85770
     C             4.09095            -0.11702             3.58803
     C             0.12575             3.24140             4.30659
     C             0.61981             3.66278             5.61318
     C             1.24670             2.47665             6.27060
     C             1.16852             1.33207             5.30219
     C             0.46707             1.83652             4.13094
     C             2.27931             6.78911             4.57568
     C             3.04017             6.30097             5.76750
     C             2.33657             5.24200             6.50477
     C             1.10402             4.98578             5.68074
     C             1.14188             5.90274             4.53383
     C             6.16953             5.59592             4.16740
     C             6.22681             4.69332             5.34112
     C             5.17050             5.01939             6.24864
     C             4.47172             6.18110             5.66811
     C             5.04832             6.54986             4.39437
     C             8.91557             3.93538             2.50999
     C             8.75833             3.04195             3.64821
     C            10.08079             4.67372             2.39574
     H            10.29120             5.35035             1.56944
     C            11.04632             4.59870             3.42878
     H            11.90067             5.28776             3.53315
     C            10.93738             3.57853             4.39942
     H            11.69995             3.57100             5.16809
     C             9.81710             2.79015             4.45139
     H             9.71252             2.01097             5.24616
           70
 Energy:   -462.4962408998354    
     C             4.49459             4.26607             0.17472
     C             3.93671             2.89438            -0.04061
     C             2.48207             2.98228             0.02088
     C             2.11148             4.35325             0.23854
     C             3.34917             5.18276             0.27567
     C             7.29340             3.84280             2.60606
     C             6.43154             3.36926             1.42533
     C             5.73378             4.46490             0.87235
     C             5.76910             5.59341             1.76585
     C             6.61092             5.24773             2.87188
     C             4.74167             0.31584             2.38487
     C             3.91843             0.73683             1.24787
     C             4.63015             1.80378             0.56052
     C             5.81204             2.09477             1.32944
     C             5.86994             1.18508             2.46622
     C             0.77160             1.43325             2.84534
     C             0.74385             2.29620             1.69649
     C             1.79323             1.95558             0.76782
     C             2.53853             0.85717             1.36713
     C             1.86547             0.49867             2.62197
     C             0.52326             5.48768             3.31162
     C             1.19750             5.82531             2.08476
     C             1.09114             4.69414             1.15533
     C             0.41092             3.61550             1.90004
     C             0.01699             4.11967             3.20453
     C             4.31014             6.98271             3.26400
     C             4.63153             6.43730             1.96386
     C             3.41892             6.28624             1.17015
     C             2.31408             6.66208             2.07605
     C             2.85861             7.14869             3.33645
     C             4.83187             2.61816             6.71561
     C             3.63413             1.81542             6.61297
     C             2.52070             2.71052             6.90063
     C             2.99604             4.06946             7.01519
     C             4.46020             4.00367             6.92724
     C             6.49476             1.55054             3.66301
     C             5.83903             1.14826             4.88784
     C             5.95112             2.28410             5.83711
     C             6.72386             3.34298             5.23781
     C             7.29232             2.87050             3.89256
     C             2.61784            -0.06435             3.70683
     C             2.28776             0.43328             5.07077
     C             3.55189             0.74631             5.67934
     C             4.66376             0.33875             4.85279
     C             4.06024            -0.11722             3.59041
     C             0.08906             3.22381             4.33847
     C             0.59438             3.62319             5.62939
     C             1.28400             2.48451             6.22504
     C             1.20220             1.33909             5.32775
     C             0.41219             1.81197             4.14404
     C             2.24775             6.75302             4.59876
     C             3.03192             6.29836             5.77533
     C             2.28972             5.18699             6.47349
     C             1.09706             4.97198             5.70171
     C             1.03209             5.90107             4.54827
     C             6.20673             5.58677             4.16853
     C             6.26923             4.67290             5.31409
     C             5.13523             5.06304             6.20252
     C             4.40917             6.16219             5.62468
     C             5.10302             6.53742             4.37268
     C             8.99177             4.04869             2.51795
     C             8.81932             3.06478             3.65183
     C            10.21042             4.72734             2.41899
     H            10.24826             5.46741             1.63768
     C            11.12888             4.61582             3.47213
     H            11.95718             5.32850             3.53253
     C            11.00808             3.61351             4.41588
     H            11.76289             3.46752             5.18632
     C             9.87705             2.78267             4.49608
     H             9.70943             2.12126             5.35969
           70
 Energy:   -462.4395172621329    
     C             4.51356             4.28350             0.13132
     C             3.98053             2.93751            -0.00380
     C             2.49889             2.97296             0.09581
     C             2.15664             4.41385             0.24961
     C             3.37313             5.17413             0.32015
     C             7.41630             3.87052             2.58444
     C             6.46159             3.35896             1.39297
     C             5.73314             4.51689             0.82093
     C             5.78926             5.62556             1.78582
     C             6.61263             5.20413             2.89441
     C             4.68435             0.28634             2.37132
     C             3.93647             0.67928             1.16203
     C             4.68128             1.79779             0.48987
     C             5.90110             2.08160             1.28018
     C             5.86226             1.19712             2.43667
     C             0.73153             1.40073             2.84289
     C             0.68273             2.32247             1.71097
     C             1.78020             1.96249             0.77977
     C             2.49504             0.84619             1.38691
     C             1.86864             0.53999             2.65670
     C             0.48889             5.46633             3.33848
     C             1.17957             5.80897             2.06489
     C             1.08751             4.67173             1.18952
     C             0.27565             3.68134             1.88496
     C            -0.00762             4.10034             3.25493
     C             4.33235             6.97744             3.28757
     C             4.66535             6.51271             1.91551
     C             3.41556             6.27740             1.21554
     C             2.32531             6.65023             2.06804
     C             2.84869             7.03443             3.40680
     C             4.88303             2.63032             6.67508
     C             3.64259             1.85598             6.62148
     C             2.50499             2.71556             6.89153
     C             3.00520             4.10104             6.97552
     C             4.46734             4.05657             6.94880
     C             6.48404             1.48682             3.66741
     C             5.87463             1.14383             4.92578
     C             5.98209             2.26682             5.87538
     C             6.74938             3.34361             5.25899
     C             7.31079             2.77552             3.88830
     C             2.60550            -0.02823             3.70552
     C             2.28910             0.45991             5.04035
     C             3.55074             0.79586             5.71241
     C             4.65608             0.38226             4.83882
     C             4.10482            -0.12048             3.58107
     C            -0.01155             3.19106             4.34696
     C             0.57259             3.63047             5.61491
     C             1.31366             2.48922             6.19089
     C             1.17732             1.34420             5.26883
     C             0.37816             1.80031             4.16293
     C             2.18509             6.70069             4.62738
     C             2.98569             6.27841             5.77350
     C             2.30498             5.19656             6.40493
     C             1.02861             4.94210             5.73074
     C             0.95852             5.91069             4.63399
     C             6.25875             5.61086             4.18466
     C             6.27039             4.68437             5.31325
     C             5.14425             5.02140             6.18636
     C             4.43477             6.18101             5.57902
     C             5.11792             6.50036             4.36001
     C             9.04852             4.13105             2.58708
     C             8.88265             3.09197             3.66952
     C            10.24651             4.78515             2.45090
     H            10.52250             5.56238             1.75402
     C            11.19717             4.60530             3.45940
     H            12.03987             5.29120             3.47455
     C            11.05809             3.61712             4.44567
     H            11.91273             3.45246             5.11410
     C             9.92130             2.84133             4.53106
     H             9.89400             2.11089             5.31706
           70
 Energy:   -462.3844303061322    
     C             4.51045             4.29730             0.08689
     C             3.99585             2.92388            -0.00207
     C             2.55676             3.00736             0.14230
     C             2.12128             4.38310             0.33560
     C             3.38057             5.20010             0.33790
     C             7.44827             3.86681             2.59712
     C             6.54054             3.42113             1.31509
     C             5.71701             4.52683             0.84157
     C             5.82369             5.61131             1.77912
     C             6.63784             5.19365             2.89415
     C             4.70820             0.31164             2.30783
     C             3.90647             0.69258             1.12415
     C             4.72127             1.78131             0.46581
     C             5.96092             2.05624             1.26353
     C             5.90876             1.15076             2.43791
     C             0.68892             1.36748             2.81676
     C             0.60134             2.30023             1.67748
     C             1.75700             1.99467             0.81276
     C             2.50279             0.82019             1.34092
     C             1.87295             0.48736             2.62395
     C             0.45829             5.46654             3.40014
     C             1.10132             5.83109             2.12255
     C             1.02797             4.69197             1.19070
     C             0.20550             3.65169             1.84804
     C            -0.07774             4.10959             3.24415
     C             4.33460             6.96563             3.26725
     C             4.74461             6.56947             1.93419
     C             3.48363             6.30103             1.22665
     C             2.30459             6.60619             2.13808
     C             2.87498             6.94950             3.42925
     C             4.88634             2.67422             6.70261
     C             3.67200             1.87357             6.66295
     C             2.51586             2.76620             6.85435
     C             3.02904             4.10684             7.01086
     C             4.49639             4.03218             6.89596
     C             6.52793             1.47530             3.68802
     C             5.85649             1.15522             4.93811
     C             6.01660             2.26914             5.86746
     C             6.75329             3.32015             5.18762
     C             7.38186             2.77012             3.82986
     C             2.63823             0.01185             3.73460
     C             2.29465             0.52980             5.04767
     C             3.54313             0.75836             5.75979
     C             4.64916             0.44290             4.87702
     C             4.07212            -0.10130             3.59714
     C            -0.10129             3.17449             4.36395
     C             0.52187             3.59331             5.61114
     C             1.28298             2.48337             6.15026
     C             1.16288             1.35907             5.23710
     C             0.30425             1.78259             4.10835
     C             2.14994             6.69065             4.64025
     C             3.03244             6.26049             5.71408
     C             2.29875             5.16631             6.41500
     C             0.98351             4.97156             5.77019
     C             0.89804             5.91853             4.64844
     C             6.28817             5.60733             4.19943
     C             6.29723             4.66254             5.33335
     C             5.17177             5.05311             6.18076
     C             4.43660             6.14737             5.62178
     C             5.12113             6.50812             4.35212
     C             9.08116             4.17883             2.69521
     C             8.90455             3.12577             3.71679
     C            10.26672             4.84770             2.51172
     H            10.36126             5.52264             1.64426
     C            11.27506             4.57630             3.44382
     H            12.21007             5.10286             3.41498
     C            11.14018             3.64089             4.43674
     H            11.97061             3.44533             5.13443
     C             9.98416             2.89629             4.57371
     H             9.89106             2.05912             5.21594
           70
 Energy:   -462.2490894278325    
     C             4.52114             4.31212             0.11356
     C             3.99947             2.92582            -0.04211
     C             2.51759             2.99503             0.20419
     C             2.14649             4.38720             0.43702
     C             3.33991             5.20624             0.32533
     C             7.43611             3.86455             2.57766
     C             6.59049             3.38828             1.27550
     C             5.73419             4.48910             0.85472
     C             5.83765             5.61105             1.79158
     C             6.67091             5.22488             2.88794
     C             4.73376             0.31196             2.37520
     C             3.95774             0.76493             1.16509
     C             4.73147             1.80412             0.48701
     C             6.00519             2.08697             1.25983
     C             5.99380             1.12054             2.42515
     C             0.65706             1.30784             2.75521
     C             0.58677             2.22947             1.62288
     C             1.78430             1.99815             0.79720
     C             2.48403             0.83761             1.28440
     C             1.82431             0.42358             2.56279
     C             0.36774             5.44183             3.39460
     C             1.06591             5.85174             2.17681
     C             0.92031             4.73346             1.20460
     C             0.18874             3.61340             1.87285
     C            -0.18762             4.08930             3.20956
     C             4.35875             6.95689             3.32054
     C             4.76451             6.55276             1.95278
     C             3.46918             6.34483             1.22223
     C             2.34337             6.51405             2.15967
     C             2.89643             6.95489             3.40482
     C             4.92183             2.62821             6.71202
     C             3.66294             1.84280             6.69354
     C             2.51584             2.74753             6.81025
     C             3.05452             4.11221             7.02893
     C             4.49508             4.04705             6.86776
     C             6.57033             1.47079             3.66547
     C             5.85535             1.19993             4.90142
     C             5.99833             2.31993             5.81922
     C             6.73947             3.32462             5.12170
     C             7.41707             2.79449             3.83063
     C             2.61415             0.05934             3.71240
     C             2.30127             0.56320             5.06538
     C             3.53720             0.75037             5.82512
     C             4.63622             0.41828             4.88296
     C             4.10096             0.00636             3.58511
     C            -0.15608             3.19140             4.31081
     C             0.45046             3.63652             5.62916
     C             1.27714             2.51285             6.14551
     C             1.14311             1.38360             5.21464
     C             0.25333             1.75947             4.08835
     C             2.21397             6.69942             4.61439
     C             3.01271             6.17324             5.73014
     C             2.28578             5.17744             6.46220
     C             0.97625             4.95455             5.80594
     C             0.91275             5.93337             4.66627
     C             6.27566             5.58607             4.17991
     C             6.34635             4.65676             5.30738
     C             5.23505             5.04666             6.22837
     C             4.46610             6.14849             5.60474
     C             5.14713             6.51247             4.41170
     C             9.07656             4.22586             2.77195
     C             8.93272             3.18774             3.79713
     C            10.26451             4.85596             2.59100
     H            10.39335             5.58769             1.76281
     C            11.37474             4.58573             3.38808
     H            12.31094             5.04480             3.11241
     C            11.20842             3.63772             4.43873
     H            12.04409             3.47345             5.14242
     C            10.01981             2.89785             4.58218
     H            10.01288             2.17626             5.37408
           70
 Energy:   -461.8575118051829    
     C             4.49514             4.30710             0.15749
     C             3.96211             2.96791            -0.04461
     C             2.52791             3.04032             0.20770
     C             2.10045             4.41485             0.49710
     C             3.35363             5.21716             0.35275
     C             7.48778             3.89695             2.56411
     C             6.60219             3.35866             1.34104
     C             5.76352             4.48081             0.84113
     C             5.82766             5.58767             1.77598
     C             6.68855             5.23655             2.87018
     C             4.79371             0.39196             2.38799
     C             3.98099             0.81726             1.28369
     C             4.74136             1.89113             0.54988
     C             6.01204             2.05785             1.25959
     C             6.06481             1.13199             2.37330
     C             0.58329             1.24314             2.73549
     C             0.60946             2.24188             1.60558
     C             1.75673             1.93570             0.75021
     C             2.54586             0.80858             1.31443
     C             1.79540             0.37910             2.51173
     C             0.29190             5.46822             3.42077
     C             1.06965             5.80603             2.15914
     C             0.93167             4.70532             1.21782
     C             0.18414             3.59214             1.85860
     C            -0.26633             4.08247             3.19327
     C             4.39860             6.95646             3.32786
     C             4.70183             6.49427             1.96215
     C             3.44235             6.30465             1.20627
     C             2.35305             6.48931             2.15383
     C             2.93288             7.00191             3.42326
     C             4.90466             2.60494             6.69709
     C             3.66136             1.81528             6.71717
     C             2.51573             2.73232             6.82287
     C             3.01776             4.06273             6.98600
     C             4.52735             4.00439             6.92120
     C             6.62540             1.49369             3.64146
     C             5.83836             1.20735             4.83708
     C             5.93286             2.34158             5.72144
     C             6.72366             3.37473             5.12905
     C             7.39926             2.79146             3.87686
     C             2.61176             0.12617             3.66177
     C             2.25368             0.54364             5.03132
     C             3.54927             0.70221             5.78829
     C             4.67369             0.41871             4.90191
     C             4.05682             0.09938             3.61571
     C            -0.17748             3.16288             4.31255
     C             0.40746             3.65808             5.59873
     C             1.24134             2.56458             6.11754
     C             1.13301             1.41930             5.21057
     C             0.27763             1.77077             4.05916
     C             2.24070             6.61279             4.63421
     C             3.07080             6.16280             5.75095
     C             2.26784             5.17011             6.51018
     C             0.98431             4.98915             5.79650
     C             0.95047             5.89281             4.63893
     C             6.26865             5.59656             4.16345
     C             6.35095             4.70652             5.28556
     C             5.29053             5.03645             6.23189
     C             4.48355             6.11642             5.67040
     C             5.18628             6.51486             4.41242
     C             9.06061             4.26050             2.79897
     C             8.92032             3.23529             3.86175
     C            10.27393             4.87989             2.63119
     H            10.34244             5.72748             1.91727
     C            11.41810             4.52616             3.35883
     H            12.39742             4.93834             3.11830
     C            11.27589             3.65404             4.38391
     H            12.10616             3.48045             5.06937
     C            10.08865             2.93440             4.59848
     H             9.96819             2.26788             5.46243
           70
 Energy:   -461.5179115120254    
     C             4.49524             4.31586             0.16312
     C             3.95672             2.98113             0.05419
     C             2.47953             3.01329             0.16856
     C             2.12771             4.38667             0.39954
     C             3.32860             5.17324             0.38692
     C             7.52005             3.89819             2.65853
     C             6.57104             3.39979             1.39957
     C             5.75455             4.45688             0.84384
     C             5.80840             5.57167             1.75634
     C             6.66684             5.23691             2.84636
     C             4.80957             0.47383             2.45034
     C             3.98337             0.91719             1.31397
     C             4.68137             1.93945             0.63122
     C             6.05474             2.09223             1.24297
     C             6.10984             1.14558             2.38708
     C             0.57026             1.24754             2.69662
     C             0.60450             2.23437             1.63030
     C             1.79615             1.91496             0.70593
     C             2.53938             0.80841             1.34490
     C             1.79702             0.37592             2.53642
     C             0.32200             5.49662             3.37393
     C             1.07432             5.77403             2.17161
     C             1.00619             4.63449             1.27174
     C             0.17500             3.61015             1.84328
     C            -0.27950             4.08647             3.20989
     C             4.38410             6.96106             3.26720
     C             4.70320             6.41775             1.96012
     C             3.45155             6.26852             1.28656
     C             2.28792             6.57231             2.19286
     C             2.90366             6.98476             3.45320
     C             4.85890             2.58727             6.65467
     C             3.63290             1.75732             6.67309
     C             2.45542             2.67701             6.82853
     C             3.05324             4.03988             6.98304
     C             4.53364             3.97781             6.96163
     C             6.66743             1.50980             3.61007
     C             5.85786             1.22198             4.78185
     C             5.84865             2.35799             5.68125
     C             6.69652             3.37549             5.14701
     C             7.41771             2.87884             3.88132
     C             2.61697             0.16162             3.66634
     C             2.24925             0.53198             5.00531
     C             3.49884             0.68231             5.77325
     C             4.64054             0.43380             4.84427
     C             4.09178             0.11922             3.55845
     C            -0.19004             3.16515             4.30233
     C             0.44821             3.66564             5.55880
     C             1.24747             2.55817             6.10783
     C             1.14703             1.42387             5.18770
     C             0.31951             1.79354             4.03766
     C             2.28588             6.54349             4.61640
     C             3.08436             6.17896             5.79911
     C             2.28905             5.15730             6.48551
     C             0.95472             4.97922             5.76392
     C             0.99627             5.83802             4.60531
     C             6.31363             5.63528             4.15148
     C             6.35207             4.71656             5.31444
     C             5.25210             4.98684             6.26284
     C             4.54364             6.12868             5.69731
     C             5.15313             6.52768             4.41216
     C             9.11654             4.26457             2.79522
     C             8.95109             3.26017             3.87865
     C            10.27853             4.93313             2.63450
     H            10.33511             5.79835             1.97304
     C            11.40655             4.49154             3.28843
     H            12.38696             4.97281             3.10918
     C            11.31707             3.58002             4.36800
     H            12.20309             3.40377             4.97230
     C            10.07879             3.02776             4.61844
     H            10.08610             2.25673             5.42590
