      72
 i =        1, E =      -353.0251328303
  H         8.9000808373       11.0987671073        1.2361626666
  C         9.9011862213       11.5527613105        1.2590703486
  C        10.5233044690       11.8049987709        0.0328064080
  C        11.8679340536       12.2871095754        0.0242317369
  C        12.5482976726       12.3689843386        1.3125145077
  C        13.9913110143       12.4832229482        1.2782153915
  C        14.6457935242       12.5073421135       -0.0253469243
  C        16.1003120896       12.5051289512        0.0275179629
  C        16.7845940133       12.5044182527        1.3242481648
  C        18.2359161425       12.4940230377        1.2775207599
  C        18.8991039926       12.4821305488       -0.0278311307
  C        20.3535360859       12.4623284067        0.0249296652
  C        21.0381846691       12.4946196881        1.3188154962
  C        22.4792944845       12.4732931844        1.2695818277
  C        23.1287444446       12.2057642918       -0.0242998092
  C        24.4673483513       11.7066622209       -0.0319052354
  H        24.9990208902       11.4639277295        0.8984973657
  H        24.9577467976       13.5185456210        1.6550088665
  H        10.1814940902       13.5087892296        4.0677136494
  H        10.0109901486       11.6317945837        3.4169476350
  C        10.5262625261       11.8586197934        2.4871413125
  C        11.8813669572       12.2840114091        2.6133783337
  C        12.4800734144       12.6288051947        3.9217672984
  C        13.8994657557       12.5495124898        3.7226005591
  C        14.6895624829       12.5460115749        2.5521759522
  C        16.1187913610       12.5162620134        2.6400475711
  C        16.7708933680       12.5316695227        3.9353810350
  C        18.1933018298       12.5077397142        3.7403924964
  C        18.9562927525       12.5027155052        2.5517023558
  C        20.3764945017       12.5354719841        2.6352602467
  C        20.9982342638       12.6078023910        3.9409064585
  C        22.4045767090       12.6487768390        3.7241975415
  C        23.1410639322       12.7593397746        2.5347483564
  C        24.4398664247       13.2839106103        2.5950624314
  C        25.0308218373       13.5539859623        3.7933736808
  H        26.0351241078       13.9889100143        3.7340290213
  H         8.9845585561       14.1069381484        6.1188678296
  C         9.9833983392       13.6604778042        6.0568190783
  C        10.6335583883       13.2929619087        4.9040935395
  C        11.8742526883       12.9267805396        5.1703157026
  C        12.5978976754       12.7216219445        6.1264761794
  C        14.0035196522       12.6620305313        5.9095977748
  C        14.6897672687       12.5012393299        4.6909316050
  C        16.0225844524       12.5385444617        5.1314901006
  C        16.8063903430       12.5196899431        6.1098758014
  C        18.2289991590       12.5197681063        5.9148747755
  C        18.9773410334       12.5153297500        4.7187766642
  C        20.3094616797       12.4578251083        5.1594097407
  C        21.1005432612       12.4934264468        6.1276896529
  C        22.5210074429       12.5535974024        5.9285705970
  C        23.1313251594       12.8441059638        4.6802893522
  C        24.3770227974       13.1941699641        4.9470856281
  H        24.8304179725       13.4012420859        5.7850387598
  H        24.9763136752       11.5212886466        6.4337519374
  H        10.0547467184       13.6203177626        8.1950792055
  H         9.9882680517       11.5681997283       -0.8970860847
  C        10.5697085207       13.3805418227        7.2548538596
  C        11.8620868872       12.8399456594        7.3156164868
  C        12.5203506116       12.5446851629        8.5804425722
  C        13.9616243219       12.5475715049        8.5314250435
  C        14.6239917605       12.5780026429        7.2151592298
  C        16.0435593536       12.5259632665        7.2986306196
  C        16.7636130348       12.5068369435        8.5728423866
  C        18.2148970361       12.4929234452        8.5260576809
  C        18.8808364594       12.4940542041        7.2102523012
  C        20.3104306191       12.5010870991        7.2981395678
  C        21.0079596520       12.4299396467        8.5720976739
  C        22.4494918034       12.2963351530        8.5378956608
  C        23.1149843569       12.2001103869        7.2369544049
  C        24.4645752866       11.7569964433        7.3633800910
  C        25.0840722742       11.4430739044        8.5922086764
  H        26.0798488485       10.9775663693        8.6150423440
      72
 i =        2, E =      -352.7546179758
  H         8.9257552015       11.1206639327        1.2568361205
  C         9.9284724140       11.5765343760        1.2985048729
  C        10.5530456001       11.8202300791        0.0661734894
  C        11.9107241109       12.2986967790        0.0284607541
  C        12.5636512051       12.3839646772        1.3640703555
  C        14.0155125539       12.5076551327        1.3386818029
  C        14.6531306372       12.5117000189       -0.0125695111
  C        16.1265468612       12.5139198664        0.0100012436
  C        16.7526424679       12.5045933501        1.3808251362
  C        18.2242167856       12.4928113227        1.3412682160
  C        18.8729648688       12.4889495090       -0.0103694875
  C        20.3462348424       12.4649654744        0.0124293327
  C        20.9856533542       12.4862315636        1.3676341533
  C        22.4494407364       12.4599689496        1.3113844961
  C        23.0865050900       12.2197280600       -0.0286502510
  C        24.4372490103       11.7213627517       -0.0656595813
  H        24.9716463911       11.4661562600        0.8674636080
  H        24.8953808179       13.5127840824        1.7886295228
  H        10.3126500934       13.4174929759        4.1334333267
  H        10.0143855471       11.6829164277        3.4913928042
  C        10.5321634955       11.8708313867        2.5545823958
  C        11.8596473360       12.3659567170        2.6812549106
  C        12.4665649594       12.6192749170        4.0119748420
  C        13.8955771293       12.6069587015        3.9348135978
  C        14.6268738831       12.5584181445        2.7021777448
  C        16.0622712245       12.5412796571        2.7313733971
  C        16.7337549437       12.5184230455        4.0163166747
  C        18.1605555957       12.5251620542        3.9571334855
  C        18.8660201137       12.4985828367        2.6999801869
  C        20.2878193514       12.5693043902        2.7111410452
  C        20.9433982514       12.4750908483        4.0023953597
  C        22.3236736557       12.6772360608        3.9070141707
  C        23.0307202396       12.6898338420        2.6628425873
  C        24.3138016715       13.2439246304        2.7018010444
  C        24.9615712826       13.4731654742        3.8375988597
  H        25.9587510418       13.9458568244        3.8591204458
  H         9.0601613947       14.0632843715        5.9937165373
  C        10.0510863190       13.5778467825        6.0122162176
  C        10.7596268382       13.3282567383        4.9958572763
  C        11.8463050408       12.8873301740        5.0767715345
  C        12.6792056829       12.7504651467        5.9431494962
  C        14.0561984189       12.5265367798        5.8481647572
  C        14.7592304699       12.6296101198        4.7987349834
  C        15.9450986014       12.4840284574        5.0256380532
  C        16.8393493842       12.5359322094        5.8931745880
  C        18.2658869287       12.5074691302        5.8340922193
  C        19.0537485173       12.4594391068        4.8247078973
  C        20.2417555815       12.5872223460        5.0518997888
  C        21.1054427803       12.5517079076        5.9155835475
  C        22.5345761422       12.5439882955        5.8376076360
  C        23.1582608424       12.8055709879        4.7729414593
  C        24.2521079006       13.2306841607        4.8558240027
  H        24.6986128567       13.3115805812        5.7209966731
  H        24.9735941072       11.5727178832        6.3598311224
  H        10.1165834447       13.6144691345        8.0611121382
  H        10.0153463366       11.5700002790       -0.8663053795
  C        10.6959526680       13.3393715826        7.1480345304
  C        11.9719473982       12.7689186296        7.1872625435
  C        12.5500913040       12.5320703398        8.5390242724
  C        14.0140942443       12.5377718604        8.4827496334
  C        14.7129937335       12.6110103879        7.1393714641
  C        16.1335836535       12.5200934665        7.1503176532
  C        16.7752522222       12.5058443684        8.5089914562
  C        18.2468066419       12.4914763062        8.4694180325
  C        18.9378019708       12.5161265101        7.1189410280
  C        20.3734261554       12.5132002594        7.1482842284
  C        20.9840865193       12.4552804074        8.5118624269
  C        22.4343732614       12.3120514270        8.4863066984
  C        23.1380333933       12.2838209051        7.1689018251
  C        24.4581218509       11.7684836270        7.2965144100
  C        25.0584292382       11.4682103508        8.5528177504
  H        26.0548929310       10.9987650008        8.5939972619
      72
 i =        3, E =      -353.4233624837
  H         8.9608157238       11.1519660620        1.2900735874
  C         9.9613566939       11.6100658684        1.3589301814
  C        10.5886684244       11.8376862886        0.1164719758
  C        11.9517705977       12.3080883201        0.0178242680
  C        12.5682589792       12.4518907101        1.4058193996
  C        14.0265585327       12.5259294664        1.4045263968
  C        14.6862110023       12.5268406236        0.0226066311
  C        16.1621401150       12.5209770377       -0.0130535326
  C        16.7068052148       12.5202527072        1.4456487213
  C        18.1810031564       12.4859219389        1.4061198307
  C        18.8376328618       12.4943406228        0.0127399776
  C        20.3135332895       12.4796409658       -0.0226649646
  C        20.9095684846       12.4931064286        1.3852840226
  C        22.3920659716       12.4219031392        1.3648510658
  C        23.0450985935       12.2300325838       -0.0182616394
  C        24.4013235237       11.7396221700       -0.1163947808
  H        24.9331450949       11.4719675427        0.8195348891
  H        24.7878110855       13.5009306110        1.8956813655
  H        10.2463778188       13.4600635641        4.2498104708
  H        10.0082599000       11.7559868461        3.5956768405
  C        10.5130794667       11.9281891149        2.6488376037
  C        11.8315194914       12.4244756670        2.7421337700
  C        12.5112669374       12.5039217042        4.0653825144
  C        13.8929691552       12.6887829574        4.1100260433
  C        14.6094261086       12.5611672210        2.8338064959
  C        16.0371718452       12.5415206851        2.8677671063
  C        16.7671704261       12.5058151745        4.1218234193
  C        18.1531757366       12.4777257395        4.2071334855
  C        18.7654586983       12.5402202738        2.8379511828
  C        20.1725149769       12.4667222213        2.7565357350
  C        20.8708176145       12.5108454212        4.0046857726
  C        22.2275751704       12.5682222469        4.0725871435
  C        22.9350339265       12.6853194444        2.7613912284
  C        24.2614640440       13.2061245368        2.8436794367
  C        25.0243979711       13.4211573991        3.9601506139
  H        25.9909604950       13.9346154185        3.9522682033
  H         9.0263291126       14.0529951588        5.8992767924
  C         9.9858427685       13.5260515332        5.8901116851
  C        10.7491263325       13.2817687530        4.9071246725
  C        11.8482401829       12.8031949444        4.9003195827
  C        12.7745964831       12.6407921539        5.7776927033
  C        14.1297508409       12.5609832812        5.8461407814
  C        14.8126407499       12.6004824515        4.9501089414
  C        15.8399056888       12.5719805852        4.8537972879
  C        16.8460775711       12.4889204388        5.6432892826
  C        18.2323780304       12.4926651828        5.7290039369
  C        19.1601778499       12.5465855546        4.9968453529
  C        20.1875422294       12.5586726630        4.9001207345
  C        21.1093498247       12.6333838029        5.7394645530
  C        22.4884984967       12.4315287918        5.7834428276
  C        23.1554970242       12.7252395640        4.9493606920
  C        24.2638715052       13.1819140594        4.9467599080
  H        24.7647927377       13.3527422113        5.6064201385
  H        24.9806232710       11.6452702553        6.2560544017
  H        10.2237879701       13.6021691160        7.9535231602
  H        10.0532754477       11.5755405441       -0.8188281553
  C        10.7479885594       13.3011924113        7.0061680195
  C        12.0676918109       12.7635333407        7.0886392448
  C        12.6069478371       12.4932283433        8.4855859412
  C        14.0902917546       12.5458755226        8.4653171978
  C        14.8269293032       12.5077683778        7.0941876525
  C        16.2348421225       12.5605035988        7.0124570708
  C        16.8184964743       12.4987307856        8.4441437078
  C        18.2930174833       12.5044496181        8.4046967387
  C        18.9632960895       12.5179525133        6.9828090038
  C        20.3913234416       12.5165816131        7.0161693781
  C        20.9730976334       12.4713467982        8.4458502732
  C        22.4309703035       12.3826202390        8.4440690144
  C        23.1666054565       12.3425287126        7.1072944237
  C        24.4777796163       11.8266346989        7.2023327994
  C        25.0264855143       11.5030301526        8.4922331867
  H        26.0201468901       11.0298608820        8.5606935865
      72
 i =        4, E =      -354.0106508463
  H         8.9783777970       11.1690117816        1.3149544873
  C         9.9733329700       11.6336298730        1.3856303556
  C        10.6074547772       11.8435893809        0.1396564241
  C        11.9607930821       12.3222745018       -0.0090663994
  C        12.5927727243       12.4925980987        1.3826767662
  C        14.0454303461       12.5441433565        1.4366707940
  C        14.7163368839       12.5335075198        0.0430939856
  C        16.1787127340       12.5229902758       -0.0278932284
  C        16.7103127702       12.5213989495        1.4595970194
  C        18.1744776836       12.5017505324        1.4561637572
  C        18.8212383395       12.4963596196        0.0276566291
  C        20.2836738830       12.4862646323       -0.0433482566
  C        20.8853499118       12.4742377368        1.3708044118
  C        22.3647284568       12.4200208952        1.4064930819
  C        23.0360448535       12.2443148283        0.0084600564
  C        24.3827631049       11.7465906093       -0.1396311681
  H        24.9168143556       11.4765916154        0.7908318788
  H        24.7259390923       13.4874075660        1.9392573401
  H         9.9963778188       13.5798763134        4.2923538378
  H        10.0033652182       11.7769169829        3.6157107721
  C        10.5250689800       11.9509180710        2.6738369215
  C        11.8511739601       12.4109588787        2.7215469467
  C        12.5565372129       12.3773987981        4.0620826802
  C        13.8777797495       12.6096984579        4.1442782456
  C        14.6439511103       12.6005893542        2.8835756880
  C        16.0582414926       12.5348802168        2.9229053236
  C        16.8444673355       12.4797353021        4.1568120112
  C        18.1681212037       12.4864929988        4.3245952440
  C        18.7603131197       12.5190091955        2.9153620407
  C        20.1511369465       12.4461934788        2.7620647141
  C        20.9210492327       12.4999077579        3.9605768860
  C        22.2425864219       12.5100903961        4.1597989168
  C        22.9372590972       12.6740361855        2.8147742983
  C        24.2671379915       13.1813025918        2.9184678365
  C        25.1205142245       13.4893904934        3.9815836483
  H        26.0874638359       13.9454129258        3.9811902866
  H         8.9291600521       14.0647813053        5.8698274050
  C         9.8904266412       13.5956216062        5.8681385734
  C        10.6134588817       13.2859611445        4.9174340553
  C        11.7451101821       12.7353335109        4.8527482884
  C        12.7592011922       12.5809049603        5.6916682306
  C        14.0802546400       12.5520625556        5.8907453924
  C        14.7570252144       12.6422581163        4.9765539984
  C        15.8419921989       12.5885593862        4.7833619816
  C        16.8309164787       12.4973822976        5.5259178373
  C        18.1542705815       12.4663699566        5.6943110178
  C        19.1577537936       12.5636511810        5.0675761907
  C        20.2433166617       12.5984807163        4.8732355595
  C        21.1234581523       12.5540267285        5.7042521514
  C        22.4417035320       12.3046600786        5.7847334805
  C        23.2594944816       12.6599978726        4.9972584884
  C        24.4031371661       13.1822895103        4.9373810072
  H        25.0136273530       13.4686634023        5.5680197541
  H        24.9855037303       11.6660742973        6.2360352503
  H        10.2859624918       13.5884517593        7.9096298951
  H        10.0695150495       11.5802829633       -0.7902641714
  C        10.7417310226       13.2763218038        6.9307349743
  C        12.0652694252       12.7532040357        7.0357250840
  C        12.6341542317       12.4901430721        8.4438304909
  C        14.1141473453       12.5277703933        8.4799218969
  C        14.8482847387       12.4876156805        7.0891670075
  C        16.2398031168       12.5398900656        6.9353403328
  C        16.8254746230       12.5143369149        8.3942664775
  C        18.2897433466       12.5056166932        8.3908042409
  C        18.9422402736       12.5125032598        6.9276346738
  C        20.3576144294       12.5565981488        6.9656887567
  C        20.9544853084       12.4888837250        8.4132500305
  C        22.4070491562       12.4233120257        8.4666586630
  C        23.1463633206       12.3293339896        7.1268774387
  C        24.4658627953       11.8502317040        7.1770375519
  C        25.0142296867       11.5266247694        8.4652577383
  H        26.0024188546       11.0473274220        8.5359049745
      72
 i =        5, E =      -354.4086602343
  H         9.0037234758       11.1931642302        1.3479211197
  C         9.9921237480       11.6661950516        1.4073064411
  C        10.6423078906       11.8594854863        0.1620089085
  C        11.9868414487       12.3474524771       -0.0350626764
  C        12.6318357920       12.5240016450        1.3720503640
  C        14.0772707953       12.5773894789        1.4903832901
  C        14.7430241407       12.5384205382        0.0601417596
  C        16.1969373597       12.5299033080       -0.0410431332
  C        16.7135788126       12.5230589961        1.4939597228
  C        18.1747734560       12.5112734243        1.5302905782
  C        18.8033820809       12.5032963189        0.0408492363
  C        20.2573653870       12.4908214491       -0.0607889431
  C        20.8689018929       12.4506088912        1.3720543572
  C        22.3493098081       12.4278839908        1.4758718512
  C        23.0100362225       12.2697059354        0.0341018034
  C        24.3481590563       11.7634822972       -0.1620760353
  H        24.8983721785       11.4803213243        0.7518883906
  H        24.6523674039       13.4664363472        2.0150861927
  H         9.7463778188       13.7327543776        4.4070618198
  H        10.0084392054       11.8076036791        3.6364578976
  C        10.5405590826       11.9776290835        2.6941011451
  C        11.8756791046       12.3901717023        2.7147865964
  C        12.5517418530       12.2342973037        4.1066056994
  C        13.8053500664       12.5365834052        4.2389589748
  C        14.6448055169       12.6364704089        2.9972815828
  C        16.0520828094       12.5462657800        3.0053462001
  C        16.9176816913       12.4392297122        4.2083403923
  C        18.1731209995       12.4808228259        4.4779405045
  C        18.7723166415       12.5069612760        3.0322119464
  C        20.1496578950       12.4349434828        2.8023098954
  C        20.9769269643       12.4499123626        3.9662967889
  C        22.2587550630       12.4380579641        4.3036210789
  C        22.9509158761       12.6305172942        2.9234140240
  C        24.2665810180       13.1657727822        3.0342225169
  C        25.2281465066       13.5336113300        4.0277897220
  H        26.1829822919       13.9595701992        4.0177050548
  H         8.8317655394       14.0802236500        5.8331065474
  C         9.7820233360       13.6426348369        5.8203952984
  C        10.5009494134       13.2542650992        4.9365287823
  C        11.6482993082       12.6827356606        4.8138119996
  C        12.7428331807       12.5064433474        5.5498741706
  C        14.0249049117       12.5036972759        5.8861512522
  C        14.7566508225       12.7367277004        4.9835252499
  C        15.8264708203       12.6000522567        4.7075378537
  C        16.8248422741       12.4921788946        5.3729134951
  C        18.0793233597       12.4251250129        5.6431166033
  C        19.1721590703       12.5767115591        5.1439573362
  C        20.2435216904       12.6911604293        4.8656200178
  C        21.1951392575       12.4793588116        5.6073818769
  C        22.4450265570       12.1603989639        5.7371909760
  C        23.3585131144       12.6087693225        5.0368292364
  C        24.5203825967       13.1476750418        4.9214628752
  H        25.2632156336       13.6196127210        5.4621380160
  H        24.9808131127       11.6968005913        6.2152379931
  H        10.3597660684       13.5671803481        7.8313971069
  H        10.0878042025       11.5840233735       -0.7514669608
  C        10.7419012917       13.2608513358        6.8122768563
  C        12.0507131872       12.7099862138        6.9276245023
  C        12.6494861603       12.4975981809        8.3745156911
  C        14.1300580782       12.5055326993        8.4789379709
  C        14.8499943856       12.4771584173        7.0499445866
  C        16.2276692714       12.5283945006        6.8192064826
  C        16.8257663461       12.5237484477        8.3204122499
  C        18.2869402842       12.5075525252        8.3563562531
  C        18.9487268178       12.5238773667        6.8447863844
  C        20.3576812351       12.5915836439        6.8503303929
  C        20.9231329427       12.5227410433        8.3585221320
  C        22.3684515172       12.4551585672        8.4763302414
  C        23.1214175119       12.3097073894        7.1320752717
  C        24.4502906262       11.8774281998        7.1563431285
  C        24.9953144243       11.5594688706        8.4432764627
  H        25.9769475838       11.0718957406        8.5028601151
      72
 i =        6, E =      -354.8209182479
  H         9.0294507819       11.2178153019        1.3800651309
  C        10.0121436628       11.6984087862        1.4296994471
  C        10.6781285370       11.8756166483        0.1846574215
  C        12.0138373105       12.3725008632       -0.0598132308
  C        12.6680290736       12.5548219883        1.3660781069
  C        14.1056683103       12.6092930359        1.5474681316
  C        14.7648497482       12.5438541188        0.0783230349
  C        16.2097445192       12.5365199527       -0.0545538314
  C        16.7168922569       12.5251138182        1.5221880829
  C        18.1745369298       12.5213380044        1.5988037311
  C        18.7909242372       12.5099537155        0.0543906140
  C        20.2359041635       12.4958607713       -0.0793693409
  C        20.8564129405       12.4281827062        1.3738833653
  C        22.3375586649       12.4359655881        1.5476379172
  C        22.9831096920       12.2950098133        0.0584544850
  C        24.3125552940       11.7805294698       -0.1848530735
  H        24.8792217313       11.4843617740        0.7125710759
  H        24.5778112098       13.4441555444        2.1063484838
  H         9.4967117634       13.8690359251        4.5369228699
  H        10.0158239446       11.8433368171        3.6607130968
  C        10.5549193599       12.0074775780        2.7160624077
  C        11.8990368653       12.3724676714        2.7155028213
  C        12.5443840700       12.0940276122        4.1600106533
  C        13.7316450894       12.4664575429        4.3498702752
  C        14.6342189803       12.6733540777        3.1200136805
  C        16.0331457354       12.5572262955        3.0714895088
  C        16.9890168630       12.3930400049        4.2292846914
  C        18.1766512769       12.4786405924        4.6060238344
  C        18.7931744230       12.4949706128        3.1357787053
  C        20.1555954788       12.4258668000        2.8446045792
  C        21.0245957739       12.3938407641        3.9831679470
  C        22.2666589643       12.3541653816        4.4516304160
  C        22.9602281499       12.5870331186        3.0405392342
  C        24.2631873279       13.1477513078        3.1663137604
  C        25.3422084488       13.5916593351        4.0852332723
  H        26.2882538246       13.9785532505        4.0579263345
  H         8.7242331954       14.1010245296        5.7922554280
  C         9.6666040936       13.7035164838        5.7615124570
  C        10.3905736228       13.2137254258        4.9522730260
  C        11.5459289763       12.6333813652        4.7841283617
  C        12.7348251019       12.4199619756        5.4034186236
  C        13.9778618345       12.4490251097        5.8702388382
  C        14.7746788290       12.8404730916        4.9885677268
  C        15.8415451126       12.6088683292        4.6279195686
  C        16.8202833049       12.4900729813        5.2453607466
  C        18.0061525324       12.3779212168        5.6224366339
  C        19.1560694825       12.5877677217        5.2242462046
  C        20.2257920191       12.7926582624        4.8598310449
  C        21.2681607111       12.4081716652        5.4943727714
  C        22.4510073169       12.0193900061        5.6813351661
  C        23.4630193271       12.5589265865        5.0671554574
  C        24.6346614453       13.1046356888        4.9096036820
  H        25.5132156336       13.7542649570        5.3417227203
  H        24.9739140072       11.7327037334        6.1906694283
  H        10.4344650367       13.5445630922        7.7375542496
  H        10.1067716068       11.5880503348       -0.7122991964
  C        10.7448127398       13.2426505047        6.6773814569
  C        12.0406308170       12.6666479627        6.8106345826
  C        12.6610885270       12.5054381032        8.3026772239
  C        14.1419695513       12.4842797837        8.4773673125
  C        14.8442561969       12.4688653629        7.0086781357
  C        16.2066008817       12.5171632945        6.7164647233
  C        16.8265996409       12.5336526305        8.2521926315
  C        18.2840941239       12.5099131198        8.3280167945
  C        18.9679354294       12.5346437359        6.7781848684
  C        20.3691426225       12.6275047642        6.7259511729
  C        20.8951967156       12.5552270424        8.3004208833
  C        22.3326643884       12.4860237309        8.4813738660
  C        23.0978946659       12.2932075585        7.1299751741
  C        24.4361772654       11.9079839578        7.1338061007
  C        24.9752489409       11.5920972349        8.4205430971
  H        25.9511028261       11.0969532852        8.4706374866
      72
 i =        7, E =      -355.3338135348
  H         9.0516137538       11.2418580520        1.4160998819
  C        10.0240173594       11.7326662359        1.4314145984
  C        10.7187403549       11.8967057573        0.1967366047
  C        12.0395197975       12.4024922353       -0.0985203009
  C        12.7183738515       12.5700664803        1.3324040283
  C        14.1377945745       12.6496557309        1.6128939817
  C        14.7778500216       12.5471570041        0.0968217904
  C        16.2057199065       12.5444979506       -0.0665258959
  C        16.7361666817       12.5270320800        1.5273428454
  C        18.1835117417       12.5280189637        1.6616940345
  C        18.7951933148       12.5184296420        0.0666053400
  C        20.2230246839       12.4989217605       -0.0985340762
  C        20.8710415756       12.4030912254        1.3645603800
  C        22.3436934700       12.4578471908        1.6371188934
  C        22.9579008529       12.3252966197        0.0966952880
  C        24.2727067325       11.8029289742       -0.1968466912
  H        24.8636405893       11.4883387909        0.6719265990
  H        24.5093859415       13.4164021767        2.1816588357
  H         9.2467117634       14.0218089989        4.6809587189
  H        10.0274337245       11.8621619225        3.6593692042
  C        10.5682473390       12.0204266668        2.7074966866
  C        11.9275121561       12.3040223870        2.6675105435
  C        12.5036157328       11.9115830261        4.1707484964
  C        13.6247932611       12.4377948918        4.4695005266
  C        14.6069673164       12.7112413076        3.2671448413
  C        15.9974866670       12.5704922908        3.0896501386
  C        17.1042850006       12.2614045284        4.1528350513
  C        18.2154876469       12.5427162513        4.6668127594
  C        18.8731277624       12.4947116220        3.2043662185
  C        20.2140227843       12.4197233454        2.8835160722
  C        21.0959243722       12.3255919008        4.0107137764
  C        22.2892701249       12.3229567774        4.5872411886
  C        23.0225159595       12.5341610245        3.1701709878
  C        24.3025553033       13.1342582974        3.2964401452
  C        25.4844243636       13.6787392093        4.1270166978
  H        26.4253786370       14.0142492517        4.0823333651
  H         8.5848023796       14.1382661352        5.7663130984
  C         9.5231344437       13.7941089666        5.7194261966
  C        10.2793839324       13.1723960752        5.0230618726
  C        11.4915434205       12.6023344026        4.7708523745
  C        12.7115621690       12.3805468750        5.2666617807
  C        13.9068111267       12.3831445697        5.8426280536
  C        14.8169765631       12.9006280394        4.9589921527
  C        15.8881924680       12.6324723727        4.5292084087
  C        16.7814114233       12.5534596098        5.1860165305
  C        17.8875893128       12.2418004779        5.6989277423
  C        19.1087172396       12.6143062542        5.3239918182
  C        20.1834386919       12.8521359214        4.8883921339
  C        21.3760421458       12.3770211868        5.3727777018
  C        22.4912716673       11.8342315267        5.6703091006
  C        23.5179796263       12.5273367998        5.0807201121
  C        24.7489343845       13.0604434380        4.8436747227
  H        25.7623473519       13.9046170821        5.2077856337
  H        24.9629179891       11.7520126141        6.1911828432
  H        10.5030588255       13.5168893466        7.6591009316
  H        10.1223774845       11.5921211209       -0.6716965956
  C        10.7064649605       13.2307044852        6.5443726314
  C        11.9779563954       12.6125426619        6.6794425234
  C        12.6547035105       12.5276598331        8.2126593444
  C        14.1265326989       12.4608746447        8.4865902537
  C        14.7856221719       12.4644723192        6.9702344190
  C        16.1262553048       12.5179762159        6.6493353700
  C        16.8182118787       12.5401847989        8.1899384002
  C        18.2653291991       12.5129470544        8.3228948355
  C        19.0035700167       12.5472931064        6.7594372195
  C        20.3970070504       12.6632995661        6.5767037017
  C        20.8632699058       12.5957539528        8.2336035461
  C        22.2822939856       12.5029293108        8.5146302249
  C        23.0698927290       12.2253643701        7.1783775240
  C        24.4238075346       11.9206576673        7.1419807050
  C        24.9633994470       11.6257616442        8.4189523235
  H        25.9291380130       11.1214405426        8.4344819139
      72
 i =        8, E =      -354.1167387255
  H         9.0757990706       11.2722512674        1.4488674845
  C        10.0389887944       11.7699327375        1.4272360335
  C        10.7541653529       11.9229846057        0.1981546927
  C        12.0590450369       12.4351446411       -0.1187553583
  C        12.7745861541       12.5709596183        1.3145635865
  C        14.1718836074       12.6879596381        1.6634128903
  C        14.7869419074       12.5556698987        0.0882565178
  C        16.1962268186       12.5539151197       -0.0789504888
  C        16.7780671738       12.5330429110        1.5277384873
  C        18.2098904544       12.5342544097        1.7455376837
  C        18.8045796694       12.5289854690        0.0797263645
  C        20.2136995198       12.5073156124       -0.0890572102
  C        20.8864496778       12.3871075485        1.3956335880
  C        22.3531913309       12.4753842155        1.7115053485
  C        22.9393762476       12.3583090531        0.1154752551
  C        24.2380767282       11.8297589322       -0.1983878458
  H        24.8494586972       11.4912482232        0.6416902252
  H        24.4398049863       13.3804172370        2.3211537712
  H         9.0103830984       14.1023770301        4.9309587189
  H        10.0487571193       11.8876276022        3.6605824758
  C        10.5824546125       12.0287469747        2.6933808174
  C        11.9576949188       12.2187196668        2.6315323762
  C        12.4668956792       11.7494587231        4.1720580510
  C        13.5340568687       12.4895178935        4.5444938705
  C        14.6043729485       12.7717510558        3.4025141223
  C        15.9809016102       12.5839621838        3.1057579316
  C        17.1297533066       12.0266549515        4.1343211404
  C        18.1579049148       12.6963232324        4.7811137799
  C        18.9164991183       12.5233306377        3.3421615737
  C        20.2506731401       12.4241562009        2.9624027888
  C        21.2049500276       12.2870499267        4.0481073987
  C        22.3531611437       12.2850467598        4.6333929273
  C        23.1378778888       12.4843753772        3.2648977557
  C        24.3783121047       13.1317424149        3.5066179139
  C        25.6572934856       13.8301089844        4.2343293024
  H        26.6131324145       14.0831393326        4.1496157682
  H         8.3988542377       14.2093155179        5.6908355974
  C         9.3501660208       13.9441081201        5.6177318657
  C        10.2542419928       13.0993872223        5.1442579075
  C        11.4872038869       12.5326519581        4.8201029148
  C        12.6526155962       12.3353938857        5.2117372376
  C        13.8024342466       12.3455806344        5.8023088566
  C        14.7751547409       12.8517354076        4.8983833796
  C        15.8433618722       12.6404355511        4.4598268806
  C        16.8419882507       12.7097285761        5.0750397594
  C        17.8589772964       12.0049012113        5.7143231713
  C        19.1571476180       12.6226561290        5.3940362745
  C        20.2286775938       12.8008265839        4.9476358125
  C        21.4622228100       12.4251681013        5.3037866133
  C        22.5217319399       11.6708694566        5.6699051264
  C        23.5172703140       12.4500632700        5.0303342923
  C        24.7695940103       12.9839327790        4.7277657295
  H        25.9946550966       13.9809453458        4.9639625938
  H        24.9429097057       11.7791126239        6.1885106916
  H        10.5721543760       13.4815724071        7.5178365085
  H        10.1364883264       11.5949674664       -0.6414052898
  C        10.6366657512       13.2292397349        6.3357963399
  C        11.8672581749       12.5586476364        6.5780921088
  C        12.6456350028       12.5464245775        8.1366606210
  C        14.1111096931       12.4456621123        8.4558868469
  C        14.7488218714       12.4706629308        6.8916122660
  C        16.0827722801       12.5472641135        6.5135324517
  C        16.7915979580       12.5462737770        8.1072281393
  C        18.2227713909       12.5206496315        8.3234812978
  C        19.0163708259       12.5598619118        6.7429242049
  C        20.3957735271       12.7210488491        6.4458092543
  C        20.8301213543       12.6355543238        8.1844319284
  C        22.2263629118       12.5050727917        8.5312262213
  C        23.0395495783       12.1417913150        7.2132496517
  C        24.4102532448       11.9291357296        7.1549683010
  C        24.9484358103       11.6628880001        8.4227475164
  H        25.9050513449       11.1522615947        8.4020217666
      72
 i =        9, E =      -352.2480059858
  H         9.0896979709       11.2952865059        1.4551185221
  C        10.0525316061       11.7929351687        1.4095352181
  C        10.7601502620       11.9466090970        0.1747660508
  C        12.0552015310       12.4506483491       -0.0891910925
  C        12.7882145321       12.5249544592        1.3509547260
  C        14.1584566404       12.7138832457        1.6532924635
  C        14.7650207744       12.5646389377        0.0375920373
  C        16.1572752989       12.5633106444       -0.0876103852
  C        16.8439593207       12.5468596332        1.4853907842
  C        18.2573303526       12.5330729217        1.7994770894
  C        18.8473028961       12.5399526619        0.0892831067
  C        20.2393603816       12.5161185239       -0.0377362337
  C        20.9187509020       12.3977654904        1.4705684133
  C        22.3718346029       12.4825305694        1.7230787225
  C        22.9394876544       12.3757580544        0.0904895173
  C        24.2271012627       11.8539860994       -0.1767091269
  H        24.8482115124       11.4918823199        0.6422221245
  H        24.4527452762       13.3668937952        2.4071392482
  H         8.8286014902       14.2547516416        4.8202326356
  H        10.0930921517       11.9134109657        3.6436530048
  C        10.6127068696       12.0307288049        2.6600058896
  C        12.0093832363       12.1275952497        2.6853297340
  C        12.4311958639       11.7516157104        4.2417667766
  C        13.5101881870       12.5492003160        4.6066097724
  C        14.5745581121       12.7951690872        3.4555792237
  C        15.9576447288       12.5696486266        3.0284841716
  C        17.0504257104       11.8445787658        4.0703187871
  C        18.0164959935       12.8431295156        4.7987536174
  C        18.9586096690       12.5961690966        3.4518376865
  C        20.3003603837       12.4472018399        3.0688391074
  C        21.3291556037       12.3981863204        4.0954821826
  C        22.4940767963       12.2124073062        4.5926158547
  C        23.2372009705       12.4187432257        3.2909706765
  C        24.4088203191       13.1411211110        3.5854973033
  C        25.6527211842       13.8901834936        4.2862536427
  H        26.6247758120       14.1168677950        4.2488074350
  H         8.3787374397       14.1803352934        5.7491917423
  C         9.3756831115       13.9624553962        5.5908370986
  C        10.1170912261       12.9752689571        5.0599880171
  C        11.4093879700       12.5641884678        4.9531347592
  C        12.4915381450       12.2648219340        5.2399625630
  C        13.6661396469       12.4580348568        5.7479396403
  C        14.7668943469       12.7445991431        4.9139182759
  C        15.8492223396       12.5451194367        4.4736991462
  C        16.9892312961       12.8564119585        5.0605094241
  C        17.9391264195       11.8257623441        5.7766064674
  C        19.1534079681       12.5332312640        5.3815597538
  C        20.2372538886       12.6876971708        4.9312380914
  C        21.4861950423       12.4711041571        5.2413414463
  C        22.5521400173       11.6730322882        5.6126114089
  C        23.5552505208       12.4404740779        4.8918905105
  C        24.8112421175       12.9205000316        4.7479268691
  H        26.2446550966       14.0100376576        4.8906538907
  H        24.9002947524       11.8082064470        6.2021999887
  H        10.5570768080       13.4569463403        7.4554736281
  H        10.1362924331       11.5944286543       -0.6462909012
  C        10.6460921905       13.2560914240        6.2926556932
  C        11.7918747707       12.4973274081        6.5620452257
  C        12.6367708167       12.5514103813        8.1381193951
  C        14.0867618796       12.4553795921        8.3795571582
  C        14.6975398736       12.4947235766        6.7771057514
  C        16.0428268790       12.6215837521        6.4048473845
  C        16.7471787917       12.5447957103        8.0538210628
  C        18.1605104004       12.5366701316        8.3669038574
  C        19.0393286569       12.5420994965        6.8199416601
  C        20.4248287225       12.7460316519        6.3909093576
  C        20.8426885517       12.6625860522        8.1927762178
  C        22.2100130510       12.4598390250        8.4980568390
  C        22.9900775763       12.0521104631        7.1656886720
  C        24.3831155964       11.9325887868        7.1861654861
  C        24.9334155726       11.6874787851        8.4404020200
  H        25.8893885439       11.1769231184        8.3951307100
      72
 i =       10, E =      -353.6210843026
  H         9.0915029836       11.3088475233        1.4322965458
  C        10.0606894551       11.7894491142        1.3874727701
  C        10.7350726748       11.9592888442        0.1387533831
  C        12.0330769271       12.4333578468       -0.0364936761
  C        12.7802531516       12.4534665175        1.3963837679
  C        14.1369159383       12.7134396802        1.6173149681
  C        14.7307477227       12.5761381179       -0.0172413288
  C        16.1170453533       12.5679257976       -0.0648830253
  C        16.8642965762       12.5613596425        1.4797066177
  C        18.2630179366       12.5413805041        1.7693261887
  C        18.8832127788       12.5464379376        0.0635978048
  C        20.2706648994       12.5286190282        0.0142508711
  C        20.9666796903       12.4331098307        1.5208891930
  C        22.3993328802       12.4715007127        1.6620867488
  C        22.9669953124       12.3590172197        0.0310394495
  C        24.2577519581       11.8632035949       -0.1415048326
  H        24.8589935583       11.4909275769        0.6846444145
  H        24.5547345347       13.3810056259        2.4241757190
  H         8.8650846549       14.1646668612        4.8437072683
  H        10.1359883612       11.9326992234        3.6672503786
  C        10.6010659533       12.0050119384        2.6467002515
  C        11.9944664164       12.0599162289        2.7121305127
  C        12.3252207931       11.9821625977        4.1931416595
  C        13.4590949224       12.6114255538        4.5680355715
  C        14.5782082492       12.7822459569        3.4437887936
  C        16.0028800541       12.5447991759        3.0280495870
  C        17.1030631206       11.9480392292        4.0760534090
  C        18.1090818627       12.6819034618        4.7502872352
  C        18.9942302299       12.6756975185        3.4258190225
  C        20.3293129909       12.4975344489        3.0951522393
  C        21.2905326656       12.5694264707        4.1080448073
  C        22.5009745239       12.2041639949        4.5470608112
  C        23.1885628791       12.3946676258        3.2815721008
  C        24.3197318156       13.1645493005        3.4929979157
  C        25.4531586821       13.9111428977        4.2489872279
  H        26.5151923833       14.0710956711        4.1655593375
  H         8.4389515185       14.1878671574        5.6771866852
  C         9.4632584516       13.9446769637        5.5722181872
  C        10.1732202657       12.8713393893        5.0514211018
  C        11.4147046747       12.4895585893        5.0815104186
  C        12.4923918385       12.2967105177        5.3464232832
  C        13.7027639662       12.6305231487        5.7454864120
  C        14.6969407201       12.5741573166        4.9166536646
  C        15.8180864649       12.4556759383        4.4809567569
  C        16.8848822123       12.6977396620        5.1077746454
  C        17.8802718355       11.9404145540        5.7767721526
  C        19.1659238303       12.4479941174        5.3769278541
  C        20.2865421333       12.5086915762        4.9289986171
  C        21.5344255601       12.5358229128        5.2721844419
  C        22.6634109044       11.9230322882        5.6197299621
  C        23.6626446538       12.3608046570        4.7828220800
  C        24.8628276722       12.8846520404        4.8637368224
  H        26.3359556945       13.9522787239        5.0706707408
  H        24.8536191757       11.8300078404        6.1786935029
  H        10.4680041316       13.4576736410        7.4092104084
  H        10.1268164432       11.5936478504       -0.6848280811
  C        10.6901001697       13.3308831678        6.3160706790
  C        11.7884213679       12.5001103162        6.5862253295
  C        12.5981372638       12.5494831698        8.1894888157
  C        14.0296069559       12.4878333878        8.3299458295
  C        14.6631775120       12.5453439358        6.7563641429
  C        16.0009437907       12.7019105575        6.4282457581
  C        16.7337928336       12.5528440187        8.0798920491
  C        18.1326459813       12.5518546132        8.3713369303
  C        18.9933017952       12.5136455167        6.8232925430
  C        20.4232561559       12.7315148205        6.4031373634
  C        20.8707324534       12.6638968474        8.2290565555
  C        22.2247846193       12.3859229896        8.4405805959
  C        22.9930629684       11.9918751120        7.1111307403
  C        24.3844770762       11.9096129465        7.1946758370
  C        24.9231688944       11.6849221818        8.4556274222
  H        25.8869736207       11.1900150193        8.4195075628
      72
 i =       11, E =      -354.8114687159
  H         9.0837059392       11.3203770627        1.4099206699
  C        10.0604410021       11.7879405053        1.3919309179
  C        10.7114678599       11.9628272521        0.1289238905
  C        12.0196175238       12.4057415103       -0.0166562137
  C        12.7568986881       12.4040353358        1.4265936978
  C        14.1078897949       12.7066585506        1.5970267731
  C        14.7136753235       12.5931603116       -0.0467734716
  C        16.0998271048       12.5717450132       -0.0602804194
  C        16.8706148237       12.5717781834        1.4772773036
  C        18.2584842216       12.5603698626        1.7685781626
  C        18.8976460882       12.5505881463        0.0613764002
  C        20.2835300227       12.5478367543        0.0453376905
  C        20.9819793094       12.4658648855        1.5581421205
  C        22.4046419690       12.4614446581        1.6369952295
  C        22.9808034411       12.3292511726        0.0159448483
  C        24.2807572529       11.8670128970       -0.1303675768
  H        24.8583922960       11.4971928785        0.7095688061
  H        24.6333456094       13.3884861215        2.4350864864
  H         8.8602371287       14.1011873923        4.8342544589
  H        10.1668519964       11.9610257216        3.7131801360
  C        10.5983501870       11.9757724716        2.6616325252
  C        11.9829731357       12.0160633397        2.7417596495
  C        12.2287435920       12.2321625977        4.1587288070
  C        13.4144016974       12.6298694560        4.6017965378
  C        14.5583875108       12.7428009212        3.4568038015
  C        16.0233932481       12.5021967813        3.0266102546
  C        17.1009290714       12.0869542897        4.0877258590
  C        18.1088771628       12.5416761872        4.7461521476
  C        18.9722587258       12.6968581329        3.4558858764
  C        20.2998602765       12.5247011614        3.1011000405
  C        21.2114921900       12.6665729418        4.0705022666
  C        22.4168382843       12.2977148815        4.4826699487
  C        23.1585742867       12.4253099288        3.2780331334
  C        24.2945848574       13.2164920942        3.4490499483
  C        25.4426063248       13.8295111624        4.2473784268
  H        26.4961469373       14.0655202647        4.3337335445
  H         8.5315353755       14.1901280000        5.5266996226
  C         9.5424930264       13.8735962799        5.6066442132
  C        10.1329552968       12.8368714396        5.0451870539
  C        11.3160911297       12.3647860091        5.1467820456
  C        12.5828830377       12.3119286575        5.3379915718
  C        13.7981635459       12.7300406385        5.7628840239
  C        14.6847555414       12.4794376689        4.9777050387
  C        15.8451212127       12.4199340612        4.5308851316
  C        16.8900959690       12.5420335074        5.1154476321
  C        17.8925622975       12.0779408130        5.7570062959
  C        19.1636946626       12.4161252862        5.3257401315
  C        20.3285020159       12.4135988722        4.8650343964
  C        21.5794633252       12.5647500196        5.2617355489
  C        22.7676336828       12.1368626805        5.7251278874
  C        23.6526392574       12.2080881163        4.7130546655
  C        24.7999122433       12.8352126315        4.8198177282
  H        26.2002186135       13.9376031544        5.0120415339
  H        24.8256877357       11.8657612690        6.1151788464
  H        10.3854574327       13.4663288578        7.4112505243
  H        10.1279681705       11.5998651276       -0.7102318558
  C        10.7626795819       13.3929770877        6.3940211734
  C        11.8690688087       12.5435527084        6.5569448327
  C        12.5916089685       12.5433817620        8.2118376253
  C        14.0136829450       12.5196440624        8.2900319285
  C        14.6918616529       12.5750099980        6.7447888831
  C        16.0245158205       12.7237829210        6.3999252559
  C        16.7378632084       12.5711428537        8.0839914824
  C        18.1250257281       12.5620738987        8.3760089474
  C        18.9636842361       12.4698832486        6.8247603246
  C        20.4305509344       12.6878092626        6.3990619801
  C        20.8928243387       12.6571792893        8.2523860089
  C        22.2392544248       12.3390216744        8.4273588022
  C        23.0315965825       11.9395206160        7.1269320866
  C        24.4112737283       11.8744001326        7.1778481052
  C        24.9280677203       11.6790897400        8.4567349979
  H        25.8980756890       11.2001962025        8.4394634145
      72
 i =       12, E =      -355.2279922228
  H         9.0684429135       11.3333161854        1.3830969556
  C        10.0580628346       11.7812200386        1.4198804097
  C        10.6844579906       11.9569151424        0.1398462705
  C        12.0092798749       12.3590012486        0.0095665117
  C        12.7234995125       12.3544127745        1.4672719702
  C        14.0731970196       12.6921298022        1.5664330560
  C        14.7092470646       12.6160452993       -0.0664252717
  C        16.0939445269       12.5797964210       -0.0545134914
  C        16.8702065162       12.5764219900        1.4785890020
  C        18.2471632145       12.5867909384        1.7515298815
  C        18.9047162591       12.5580403341        0.0548699471
  C        20.2900620513       12.5728936450        0.0631809763
  C        20.9820734467       12.4956375846        1.5869475153
  C        22.3961702555       12.4419143329        1.6035051681
  C        22.9881024928       12.2807922415       -0.0053824146
  C        24.3063116649       11.8612114514       -0.1440551471
  H        24.8525877638       11.5117029631        0.7249883067
  H        24.7362660325       13.3983120414        2.3860483209
  H         8.8934356805       14.0644391007        4.8823492408
  H        10.2025276154       12.0145410310        3.7939094665
  C        10.6144684664       11.9233273364        2.7039804162
  C        11.9526572624       12.0794897947        2.7863786634
  C        12.2326122392       12.4019838225        4.1263825783
  C        13.4825523261       12.6566254356        4.5395565428
  C        14.5996224838       12.5825424271        3.4116763096
  C        16.0750802325       12.4390486759        3.0354318814
  C        17.0902118156       12.1252196570        4.1141217710
  C        18.1178108798       12.5975485420        4.6758159012
  C        18.9744902980       12.6475422939        3.4520971782
  C        20.3052406110       12.5398027167        3.1331552152
  C        21.1939232780       12.7847273966        4.0899059402
  C        22.4192321465       12.3457479967        4.5158574014
  C        23.1003429042       12.4911564493        3.2678837259
  C        24.2633584723       13.3055588301        3.3454463798
  C        25.4427209463       13.6812999637        4.2236505800
  H        26.4346947260       14.0604299849        4.5597551692
  H         8.6327175362       14.2075098917        5.2766996226
  C         9.5906217393       13.7670135922        5.6240462513
  C        10.1140290352       12.7877973953        5.0529905719
  C        11.2303474476       12.1653550971        5.1124125808
  C        12.5613685205       12.2722748646        5.3257418114
  C        13.8042224683       12.8472225881        5.7629186469
  C        14.6776438703       12.5217516965        4.9721309381
  C        15.8592904580       12.4145253668        4.6204573634
  C        16.8836385610       12.5707143437        5.1687885238
  C        17.9063209952       12.0881061967        5.7467161348
  C        19.1252515179       12.3972421662        5.2345536650
  C        20.3081293922       12.4626051826        4.8741308892
  C        21.5195813006       12.5706656027        5.2987140648
  C        22.7694347266       12.2913359967        5.7538820878
  C        23.7540794060       11.9630782553        4.7536017240
  C        24.8016661769       12.8195340511        4.7994957026
  H        26.0736226953       13.9815604254        4.9807357216
  H        24.7822898582       11.9212353886        6.0316873875
  H        10.2882433590       13.4655229908        7.4611951388
  H        10.1330647470       11.6142784887       -0.7286320600
  C        10.8068411999       13.5031595537        6.4962322997
  C        11.9401795407       12.6484637409        6.5880342009
  C        12.6044252337       12.5251648210        8.2557209730
  C        14.0169860578       12.5503421245        8.2612786475
  C        14.6953538900       12.5936335710        6.7173664481
  C        16.0311540163       12.6687456951        6.3941610258
  C        16.7496491942       12.5975198986        8.0983858829
  C        18.1260257165       12.5644406938        8.3753485614
  C        18.9237199187       12.4107907952        6.8240617015
  C        20.4021148565       12.5292639104        6.4283615759
  C        20.9269344613       12.6382404158        8.2779846173
  C        22.2721647527       12.2918932462        8.3900156206
  C        23.0568794377       11.9920195201        7.0838553107
  C        24.3941059165       11.8266769942        7.1348416561
  C        24.9315030148       11.6727077041        8.4266237034
  H        25.9143316809       11.2118825745        8.4662053638
      72
 i =       13, E =      -355.6298023106
  H         9.0495410556       11.3473100837        1.3602527599
  C        10.0553696203       11.7680713650        1.4651453633
  C        10.6631857893       11.9453620605        0.1678606403
  C        12.0070253611       12.3100832099        0.0178460235
  C        12.6907787284       12.3215383988        1.4955348036
  C        14.0451136666       12.6652966058        1.5548276679
  C        14.7132068336       12.6385493323       -0.0685953059
  C        16.1006784678       12.5915913620       -0.0533395075
  C        16.8586675060       12.5742949506        1.4911145171
  C        18.2311319347       12.6137663514        1.7483589547
  C        18.8988233868       12.5685591831        0.0544233990
  C        20.2873220276       12.5972989443        0.0690177610
  C        20.9657291168       12.5178138723        1.6108977897
  C        22.3777941618       12.4212826315        1.5833626516
  C        22.9894704400       12.2300223713       -0.0144312251
  C        24.3277789302       11.8489793842       -0.1738510993
  H        24.8450649775       11.5302109666        0.7295328052
  H        24.8212475743       13.4083342730        2.3321262702
  H         9.1434356805       13.9115217385        4.7390347586
  H        10.2571363117       12.0879239201        3.9289522874
  C        10.6132308138       11.8808500196        2.7743212211
  C        11.9005322355       12.1781902888        2.8110578226
  C        12.2182315235       12.4833070491        4.1020281235
  C        13.5228541800       12.6145903013        4.5107723693
  C        14.6236107735       12.4343874857        3.4015840120
  C        16.1048324864       12.3736303869        3.0531151852
  C        17.0438591029       12.1443711570        4.1500559044
  C        18.0914817765       12.6587634434        4.6339542933
  C        18.9538564252       12.5843408590        3.4797633068
  C        20.2964313911       12.5493621277        3.1693241762
  C        21.2001250085       12.9012355521        4.1040787871
  C        22.4392347202       12.4165154359        4.5812902170
  C        23.0460426440       12.5707811290        3.2649460106
  C        24.2469650074       13.4020804865        3.2641844449
  C        25.4590187552       13.5934642776        4.2258225205
  H        26.4059340675       14.0693548117        4.6427471957
  H         8.6674800981       14.2750691659        5.2829168751
  C         9.5827682475       13.7231372855        5.6097630374
  C        10.0652484463       12.7200016536        5.0362938925
  C        11.1343970857       11.9809975252        5.0275685161
  C        12.5629858831       12.3036427171        5.2626284134
  C        13.8098108485       12.9540860942        5.7620234862
  C        14.6706824605       12.5699629880        4.9639705017
  C        15.8702804112       12.4160045778        4.7296417718
  C        16.9084557230       12.6385477874        5.2136461818
  C        17.9522282736       12.1196179080        5.7024209428
  C        19.1148750319       12.3826739691        5.1210348520
  C        20.3120184950       12.5146399939        4.8829205182
  C        21.4608648236       12.5449416737        5.3298582090
  C        22.7641201626       12.3502933681        5.7722538056
  C        23.8393254438       11.7712711833        4.8526155201
  C        24.8210387359       12.7637425001        4.8017242976
  H        25.8301394141       13.9610109881        5.0592736739
  H        24.7168084914       11.9889575766        5.9015778665
  H        10.2170327251       13.4611435759        7.4995687164
  H        10.1410198348       11.6332990916       -0.7347334865
  C        10.8370478008       13.6163120986        6.5537249582
  C        12.0207681802       12.7792085303        6.5879781961
  C        12.6220880790       12.5097010182        8.2752038540
  C        14.0321066537       12.5737520434        8.2433724458
  C        14.7103330067       12.6049770910        6.6932943993
  C        16.0540504447       12.5997793394        6.3718453087
  C        16.7698090616       12.6244910384        8.1048694437
  C        18.1404140192       12.5596373128        8.3617183557
  C        18.8887454293       12.3500665738        6.8016611641
  C        20.3716361614       12.3810125921        6.4436745335
  C        20.9546622882       12.6063153429        8.2925421997
  C        22.3050642257       12.2604073912        8.3615791276
  C        23.0966591531       12.0809620281        7.0530229246
  C        24.3866466190       11.7878755782        7.0658442427
  C        24.9347358405       11.6616920505        8.3788593904
  H        25.9334472664       11.2247704541        8.4894137571
      72
 i =       14, E =      -356.1683650758
  H         9.0329506693       11.3702520040        1.3486939481
  C        10.0568831075       11.7523920211        1.5377902025
  C        10.6491642758       11.9298997361        0.2171769569
  C        12.0083057324       12.2656140896        0.0136501298
  C        12.6660541029       12.3101759573        1.5078153069
  C        14.0261845450       12.6247871594        1.5640503952
  C        14.7261102835       12.6578714584       -0.0613416521
  C        16.1155701073       12.6118302833       -0.0580443270
  C        16.8409577842       12.5665196476        1.5168548455
  C        18.2120936376       12.6388356621        1.7693837156
  C        18.8841241437       12.5874083545        0.0595382508
  C        20.2753607248       12.6189735886        0.0675905234
  C        20.9347207999       12.5321562331        1.6411363874
  C        22.3451638539       12.4033120262        1.5770269796
  C        22.9884401648       12.1849837265       -0.0116219113
  C        24.3424302952       11.8321195686       -0.2232589788
  H        24.8355586348       11.5542777232        0.7172226093
  H        24.8892543967       13.4273417639        2.2852502234
  H         9.2452259956       13.8130654950        4.6764527302
  H        10.3750479213       12.1758003591        4.1789522874
  C        10.5697340981       11.8735974204        2.8945695772
  C        11.8267881035       12.2587826346        2.7991743647
  C        12.1804724758       12.4760643461        4.0403782738
  C        13.5236933662       12.5726023862        4.5290075107
  C        14.6255826877       12.3484247601        3.4482447327
  C        16.1096440101       12.3061956134        3.0848631419
  C        16.9736624286       12.1262779266        4.1932974478
  C        18.0315698118       12.7457167865        4.6196992236
  C        18.9291833063       12.5341840184        3.5548630527
  C        20.2866908265       12.5623145034        3.2344011381
  C        21.2404404587       13.0269259527        4.1292273953
  C        22.4866201206       12.4740390229        4.6891393094
  C        22.9854425200       12.6595332823        3.2804843500
  C        24.2316858116       13.4760422602        3.1926476703
  C        25.3993884330       13.5910844557        4.2524014580
  H        26.3195439711       14.0767750457        4.7633196877
  H         8.7659445598       14.2863005783        5.1409260863
  C         9.6533883948       13.7058139583        5.5686281894
  C        10.0145723694       12.6119981248        4.9945532724
  C        11.0722109862       11.8610218051        4.8643216681
  C        12.5366350478       12.3516810937        5.1560261251
  C        13.7704872746       13.0676992992        5.7476666918
  C        14.6466693573       12.5367675927        4.9671178721
  C        15.8722459829       12.4024243499        4.8569212440
  C        16.9606477075       12.7452214385        5.2406723788
  C        18.0149920225       12.1279827396        5.6468900334
  C        19.1142095183       12.3584175063        4.9921240884
  C        20.3331569702       12.4811743231        4.8824530299
  C        21.4469237221       12.5235328619        5.3178721655
  C        22.7876336576       12.3237013952        5.8144590908
  C        23.8947475980       11.7003888543        5.0237286597
  C        24.8825157734       12.6158975901        4.8434001031
  H        25.7160079341       13.8990179230        5.1405435354
  H        24.5879540829       12.0697554332        5.6702238278
  H        10.1664042401       13.4717440607        7.5251791369
  H        10.1520228453       11.6586494298       -0.7228849154
  C        10.8693313967       13.6980682945        6.6046480801
  C        12.1126323877       12.9154951948        6.5703877801
  C        12.6567787566       12.4991552239        8.2829745127
  C        14.0630278965       12.5914559032        8.2215332408
  C        14.7182460879       12.6130302633        6.6383554464
  C        16.0716297336       12.5487399887        6.3083466744
  C        16.7916940935       12.6487444274        8.0875296355
  C        18.1602657426       12.5498744977        8.3332601981
  C        18.8753555144       12.2852427702        6.7610659036
  C        20.3620838516       12.2955520274        6.4028701089
  C        20.9718421778       12.5599288323        8.2875012603
  C        22.3292567647       12.2487745519        8.3484570520
  C        23.1515265827       12.1497100039        7.0545438621
  C        24.4134332400       11.7782768530        6.9524121187
  C        24.9344733551       11.6493965260        8.3058201230
  H        25.9509213181       11.2464101696        8.5009760892
      72
 i =       15, E =      -355.0007118316
  H         8.9890788009       11.3787183132        1.3522167809
  C        10.0268729994       11.7212616654        1.5815255289
  C        10.6420584814       11.9028241908        0.2651676342
  C        12.0047067694       12.2323408756        0.0046629921
  C        12.6649807166       12.3419556877        1.4813392657
  C        14.0343613721       12.5707053129        1.5620059338
  C        14.7612108798       12.6596050953       -0.0597117410
  C        16.1491803128       12.6390224688       -0.0524984870
  C        16.8023929817       12.5428779038        1.5737356481
  C        18.1752482738       12.6493942866        1.7705300426
  C        18.8537630687       12.6123857569        0.0525211549
  C        20.2446155540       12.6230086263        0.0699178992
  C        20.9002026075       12.5300552247        1.6644333972
  C        22.3072915617       12.3928837308        1.5573765434
  C        22.9931664702       12.1494996157        0.0003445260
  C        24.3491823895       11.8024922221       -0.2751957009
  H        24.8445563929       11.5797483623        0.6866617944
  H        24.9244668255       13.4565120132        2.2354345367
  H         9.4040391364       13.7310631093        4.6043206148
  H        10.2933582705       12.3322751343        4.2654430479
  C        10.5453428478       11.8582053726        2.9493640257
  C        11.7864317241       12.3446820383        2.7415023054
  C        12.1622982270       12.5398236656        3.9629154684
  C        13.5284197662       12.5546874971        4.5272474498
  C        14.6283090284       12.3095886112        3.4932130359
  C        16.1058291540       12.2615885633        3.1554033764
  C        16.9375816759       12.1681754109        4.2623374445
  C        18.0131731766       12.7912023449        4.5751241641
  C        18.9163239506       12.4911372787        3.5897060518
  C        20.2840262135       12.5751305883        3.3001361593
  C        21.2867524617       13.0551753215        4.1651585425
  C        22.5322646060       12.4573231425        4.6478232558
  C        23.0096199688       12.7032648974        3.2256633254
  C        24.3024664302       13.4687758740        3.1606064056
  C        25.2944148092       13.6036996073        4.3523834456
  H        26.1731395323       14.0718137521        4.8426479777
  H         8.8882914814       14.2510971963        5.1050367642
  C         9.7490271676       13.6860043644        5.4754783332
  C        10.0366204657       12.4632346801        4.9431620725
  C        11.1674234943       11.9656322108        4.7595176029
  C        12.4526856212       12.2951695426        5.1959636349
  C        13.6709369433       13.0633477200        5.7211080983
  C        14.6405126709       12.5281706201        4.9667851925
  C        15.8918269695       12.4248433310        5.0073230302
  C        16.9783313768       12.7796968352        5.2816011212
  C        18.0492441143       12.1297588504        5.5940183538
  C        19.0784081535       12.3855909707        4.8476995699
  C        20.3218125717       12.4728742732        4.8988407695
  C        21.4683375740       12.4730658442        5.3151185385
  C        22.8223009369       12.3368459076        5.8783752021
  C        23.7722758584       11.8523248958        5.1189863596
  C        24.8627587423       12.3658975901        4.9003446351
  H        25.6136014541       13.8072920488        5.1773850089
  H        24.6758814709       12.2741993731        5.5706803912
  H        10.1490387671       13.5047316100        7.5522492838
  H        10.1429712264       11.6857443511       -0.6961869249
  C        10.8092744555       13.6668120369        6.6276322254
  C        12.1171328212       12.9942002331        6.6407911689
  C        12.7093582564       12.5012932533        8.3155606673
  C        14.1101427981       12.5924557894        8.2004334813
  C        14.7130768068       12.6073897467        6.5637977064
  C        16.0750032977       12.5060627526        6.2673361845
  C        16.8252579045       12.6568706101        8.0799419494
  C        18.1976741030       12.5248932815        8.2767987960
  C        18.8887547237       12.2465824150        6.6977809487
  C        20.3702513061       12.2543673383        6.3496462840
  C        20.9617308725       12.5022992050        8.2898902665
  C        22.3285426960       12.2748871990        8.3803869230
  C        23.1902394079       12.2313189245        7.1187975821
  C        24.4310133579       11.7541741462        6.8938391974
  C        24.9658011810       11.6220890094        8.2565942573
  H        25.9943137612       11.2547794936        8.4963316599
      72
 i =       16, E =      -355.6118426410
  H         8.9373552895       11.3776423706        1.3757007359
  C         9.9841827718       11.6876593787        1.5780241627
  C        10.6558732963       11.8815109572        0.2966396827
  C        12.0115891238       12.2257044762       -0.0117722598
  C        12.6853418194       12.4022988584        1.4411291186
  C        14.0587903728       12.5151422355        1.5830174186
  C        14.7923494922       12.6505286597       -0.0448570186
  C        16.1758155027       12.6613156491       -0.0358494040
  C        16.7531020694       12.5177481629        1.6427034228
  C        18.1280979787       12.6414963349        1.7527973953
  C        18.8309899795       12.6337690227        0.0354220702
  C        20.2175649435       12.6148088733        0.0630363565
  C        20.8679066105       12.5228589159        1.6758186980
  C        22.2708117068       12.3851306050        1.5534039075
  C        22.9883446655       12.1406473470        0.0156478669
  C        24.3347919530       11.7792302083       -0.3062002749
  H        24.8642886558       11.5971478998        0.6422712504
  H        24.9284552614       13.4903135439        2.1874499131
  H         9.5028958760       13.6748644922        4.6130403000
  H        10.3051989623       12.3527498074        4.1421276971
  C        10.5724548173       11.9116192183        2.8859684431
  C        11.8114902648       12.4157727922        2.6872268720
  C        12.1353257197       12.5484609200        3.9582524576
  C        13.4881947131       12.5405034383        4.5625095130
  C        14.6085251238       12.3437926647        3.5780489538
  C        16.0741189907       12.2370858266        3.2387111823
  C        16.9189875864       12.2120314540        4.3121476082
  C        18.0037751693       12.8921220360        4.5661781669
  C        18.8921763773       12.4899247147        3.5970881431
  C        20.2774146763       12.5726292112        3.3510486015
  C        21.3199607810       13.0628327205        4.2091274667
  C        22.5662343726       12.3651133607        4.6234782858
  C        23.0282038710       12.6984609116        3.1947186004
  C        24.3622535692       13.3988098996        3.1151983441
  C        25.2438989894       13.6444941272        4.3557028700
  H        26.0716122275       14.0784479463        4.8527033753
  H         8.9456536836       14.2111067743        5.1110002711
  C         9.7824827849       13.7001586357        5.4496040286
  C        10.0108181746       12.3888251400        4.9633777414
  C        11.2370902239       12.1606523826        4.6929247351
  C        12.3983672281       12.2468552249        5.2073630598
  C        13.5925837662       13.0367918914        5.6854181546
  C        14.6383190523       12.4760330653        4.9515681593
  C        15.9046820801       12.3389304561        5.0704497966
  C        16.9867098032       12.8837709348        5.2944820845
  C        18.0629817424       12.1617604950        5.5487079031
  C        19.0598394061       12.3000836803        4.7885610158
  C        20.3187200066       12.4170618923        4.9311517977
  C        21.5170594670       12.4443467532        5.2901036622
  C        22.8514531540       12.3451409436        5.8691954808
  C        23.6860841419       12.1023248958        5.1650551196
  C        24.9065699285       12.2088013428        4.8619069004
  H        25.6001312506       13.7164278659        5.1345545727
  H        24.6880068234       12.3171554557        5.7627148714
  H        10.1666917906       13.5427233256        7.5659782350
  H        10.1245265093       11.7057414085       -0.6552538710
  C        10.7530880006       13.5719397228        6.6430877098
  C        12.1221069474       13.0145507083        6.6739742697
  C        12.7576233980       12.5069806942        8.3249685945
  C        14.1532811988       12.5868634112        8.1946690306
  C        14.7111688319       12.5844590802        6.5078440699
  C        16.0892359849       12.5078815034        6.2590011799
  C        16.8705252852       12.6464347856        8.0935559081
  C        18.2465292197       12.4995493614        8.2085067551
  C        18.9196060015       12.2242311039        6.6157721198
  C        20.3892238230       12.2843862091        6.2700901419
  C        20.9342207306       12.4462059298        8.2745899001
  C        22.3036475995       12.3282610378        8.4244037689
  C        23.1483428012       12.3092829787        7.1719534098
  C        24.3806936191       11.8119543389        6.9850698755
  C        25.0138520834       11.5912718528        8.2657475935
  H        26.0492542891       11.2522257875        8.4701480811
      72
 i =       17, E =      -355.5084349476
  H         8.9092003922       11.3818950044        1.4208294249
  C         9.9573081314       11.6726735826        1.5759057966
  C        10.6910438168       11.8633418520        0.3261594650
  C        12.0260875269       12.2544195478       -0.0325056608
  C        12.7199291920       12.4850384811        1.3976114516
  C        14.0949380485       12.4740960309        1.6305053755
  C        14.8189035141       12.6237756102       -0.0162412814
  C        16.1938415770       12.6714367068        0.0012650992
  C        16.6953979034       12.4901643081        1.7363178033
  C        18.0710714954       12.6139187099        1.7417501648
  C        18.8177724389       12.6476445381        0.0232534280
  C        20.1973111111       12.5861875522        0.0568045340
  C        20.8403094144       12.5028984562        1.6950393938
  C        22.2437442354       12.3825809919        1.5857049987
  C        22.9770459782       12.1615750200        0.0387032294
  C        24.3059098512       11.7577575009       -0.3410018883
  H        24.8900296067       11.6081913250        0.5855196336
  H        24.8654497922       13.5067006479        2.1899303603
  H         9.4964347980       13.6100620758        4.6128601128
  H        10.3004646766       12.3973379998        4.0193365690
  C        10.6007882976       12.0092293598        2.8261248340
  C        11.8808238843       12.4384141900        2.6462846488
  C        12.1300732393       12.5569849098        3.9936974497
  C        13.4149520048       12.5229234267        4.6036843516
  C        14.5926530855       12.4329429346        3.7013683068
  C        16.0347283145       12.2272744387        3.3627976563
  C        16.9646555554       12.1935817967        4.3595412235
  C        18.0461329636       13.1163648735        4.6596969554
  C        18.8624871259       12.5270941626        3.6138743982
  C        20.2571562235       12.5641101231        3.4139485388
  C        21.3978857500       12.8609607480        4.2130220270
  C        22.5946462311       12.3406433458        4.6094133109
  C        23.0883561114       12.6332931961        3.2057135563
  C        24.4437460345       13.2674934101        3.1682907487
  C        25.1864489350       13.6031871671        4.4539414649
  H        25.9326327491       14.0471043395        4.8263272217
  H         9.0004460363       14.1420334563        5.1255938099
  C         9.8112560853       13.6964463757        5.3924102110
  C        10.0158013574       12.4471576449        4.9350282195
  C        11.2533793196       12.2695179678        4.6882010249
  C        12.4151546305       12.3220994715        5.1822994311
  C        13.5412981103       12.9550948139        5.6468922059
  C        14.5995820938       12.3753455853        4.8822025336
  C        15.8627097794       12.1638970585        5.0124150746
  C        16.9204932986       13.1337709348        5.2531859286
  C        17.9775527712       12.1223524955        5.5205498010
  C        19.1050728148       12.1528795678        4.8748057546
  C        20.3195447458       12.4435658620        4.8420352410
  C        21.5429289147       12.4607440269        5.1821037277
  C        22.8087460291       12.4586625157        5.8711724092
  C        23.6821464590       12.1893995365        5.1459976705
  C        24.9156279728       12.1948250231        4.9685203086
  H        25.7226850655       13.6635706076        5.1677892590
  H        24.7326375022       12.4120519350        5.8134568503
  H        10.2446490831       13.5727535017        7.5346233172
  H        10.0983480387       11.7194481213       -0.5947633139
  C        10.6910103381       13.4012318172        6.5876779487
  C        12.1037510378       12.9415852731        6.6377187789
  C        12.7823923289       12.5226651147        8.2972246425
  C        14.1724485193       12.5690462649        8.2130016442
  C        14.7081190825       12.5545256768        6.4834963975
  C        16.1066479244       12.5628461307        6.3010102934
  C        16.9391255519       12.6179464694        8.1389520925
  C        18.3150559139       12.4735011097        8.1326352152
  C        18.9487155799       12.2223220589        6.4963209406
  C        20.3924735494       12.3525988907        6.1443906310
  C        20.8933272066       12.4092983392        8.2358786421
  C        22.2713335489       12.4021259616        8.4667593565
  C        23.0812481082       12.3316825482        7.2040436250
  C        24.3684261730       11.9024732674        6.9975666587
  C        25.0327822249       11.5813090953        8.2462225198
  H        26.0723665314       11.2608196557        8.4268626620
