10
10.log	Energy: -144920.0164732
C         -1.46277       -0.13367        0.00002
C         -0.62607       -1.23826       -0.00001
C          0.62618       -1.23826       -0.00001
C          1.46276       -0.13358        0.00002
C          0.70385        1.05932       -0.00001
C         -0.70393        1.05928       -0.00000
H         -2.54653       -0.13536        0.00000
H          2.54653       -0.13518        0.00000
H          1.22938        2.01081       -0.00002
H         -1.22952        2.01073       -0.00002
18
11.log	Energy: -194993.0645262
C          0.00000        0.69220       -0.96618
C         -0.00000       -0.69220       -0.96618
C          1.18308       -1.15367       -0.09706
C          0.83318       -0.00000        0.92155
C          1.18308        1.15367       -0.09705
C         -1.18308        1.15367       -0.09706
C         -1.18308       -1.15367       -0.09705
C         -0.83318        0.00000        0.92155
H          2.18486       -1.03951       -0.51382
H          1.07016       -2.17595        0.26998
H          1.29197       -0.00000        1.92007
H          1.07016        2.17595        0.26999
H          2.18486        1.03951       -0.51381
H         -2.18486        1.03950       -0.51382
H         -1.07017        2.17595        0.26998
H         -1.07016       -2.17595        0.26999
H         -2.18486       -1.03951       -0.51381
H         -1.29196        0.00000        1.92007
22
12.log	Energy: -207608.5533788
C         -0.68025        1.23876        0.00000
B          1.45169        0.06784       -0.92679
B          1.45169        0.06784        0.92679
H          2.49827        0.22444        1.44728
B          0.87639       -1.34483        0.00000
B         -0.00002       -0.85340       -1.48487
H         -0.00001       -1.50232       -2.47420
B         -0.00002        0.90426       -1.53457
H         -0.00009        1.72578       -2.37952
B         -0.00002       -0.85340        1.48487
H         -0.00001       -1.50232        2.47420
B         -0.00002        0.90426        1.53457
H         -0.00009        1.72578        2.37952
B         -1.45176        0.06803        0.92658
H         -2.49832        0.22462        1.44712
B         -0.87645       -1.34477        0.00000
H         -1.55832       -2.31494        0.00000
B         -1.45176        0.06803       -0.92658
H         -2.49832        0.22462       -1.44712
H          1.55837       -2.31491        0.00000
H          2.49827        0.22444       -1.44728
C          0.68051        1.23884        0.00000
22
1a.log	Energy:     100.4190000
B          0.87903        1.46113       -0.12220
C          1.28931       -0.00001       -0.88040
B          0.04556        0.89385        1.34745
B         -0.91416        1.45826       -0.05193
H         -1.50734        2.49241       -0.03566
B         -1.42861        0.00001        0.89452
B          0.04556       -0.89382        1.34747
H          0.10801       -1.53254        2.35159
B          1.46530        0.00001        0.78192
H          2.55213        0.00001        1.26676
B         -1.51213       -0.00001       -0.86565
H         -2.51629       -0.00001       -1.51152
B         -0.06661        0.78844       -1.45960
B         -0.06662       -0.78849       -1.45959
B         -0.91416       -1.45826       -0.05190
H         -1.50734       -2.49240       -0.03559
B          0.87902       -1.46113       -0.12216
H          1.59296       -2.41093       -0.19353
H         -2.39537        0.00002        1.59543
H          0.10801        1.53260        2.35155
H          2.17557       -0.00002       -1.50472
H          1.59296        2.41092       -0.19359
22
1.log	Energy: -199395.7781174
B          0.00000        0.49971       -1.44701
C         -0.00000       -0.95722       -1.20471
B          0.92649        1.43917       -0.32507
B         -0.92649        1.43917       -0.32507
H         -1.51501        2.45169       -0.53980
B          0.00000        1.11965        1.17107
B          1.46751        0.15343        0.82552
H          2.46843        0.25301        1.46678
B          1.48400       -0.15644       -0.91103
H          2.41945       -0.32779       -1.62935
B         -1.46751        0.15343        0.82552
H         -2.46843        0.25302        1.46678
B         -1.48400       -0.15644       -0.91104
H         -2.41945       -0.32779       -1.62935
B         -0.89805       -1.42441        0.16303
H         -1.45951       -2.47004        0.24909
B         -0.00000       -0.62456        1.47627
H         -0.00000       -1.09878        2.56967
B          0.89805       -1.42442        0.16303
H          1.45951       -2.47004        0.24909
H          0.00000        1.93695        2.03908
H          1.51501        2.45169       -0.53980
52
2a.log	Energy:     287.6310000
B          1.44622        0.00250        0.53239
B          0.01698       -0.89570        1.07332
B          0.01444        0.89808        1.07049
B         -1.45501       -0.00333        0.59213
B         -0.92527       -1.46481       -0.34154
B          0.87940       -1.46665       -0.37720
B         -0.92798        1.46191       -0.34349
B          0.87834        1.46605       -0.38072
B         -0.05000        0.78394       -1.71860
B         -1.51130       -0.00197       -1.17020
B         -0.04818       -0.78702       -1.71669
C          2.85722       -0.00064        1.27459
H          2.71447       -0.01343        2.36180
H          3.46072       -0.88078        1.02060
H          3.45492        0.88874        1.04005
C          1.80094       -2.76772       -0.42240
H          2.09381       -3.08985        0.58450
H          1.27542       -3.60679       -0.89339
H          2.72443       -2.60563       -0.99138
C          1.79786        2.76853       -0.43041
H          1.25691        3.61624       -0.86731
H          2.12616        3.07135        0.57144
H          2.70077        2.61749       -1.03425
C         -1.74180        2.84008       -0.32011
H         -2.61387        2.80546       -0.98484
H         -2.11180        3.07228        0.68686
H         -1.12432        3.68946       -0.63922
C         -2.85339       -0.00423       -2.04835
H         -2.91071       -0.88606       -2.69937
H         -3.74939       -0.00676       -1.41341
H         -2.91433        0.87938       -2.69654
C         -2.76478       -0.00733        1.51324
H         -3.58130       -0.57823        1.05291
H         -2.57584       -0.45127        2.49920
H         -3.14279        1.00918        1.68401
C         -1.74410       -2.84002       -0.32198
H         -2.29140       -2.96707        0.62092
H         -2.48423       -2.87950       -1.13078
H         -1.09106       -3.71475       -0.43573
C          0.06980       -1.73414        2.44010
H         -0.11978       -1.09351        3.31051
H         -0.68296       -2.53178        2.45724
H          1.04643       -2.20945        2.59742
C          0.05328        1.74861        2.43022
H          0.33837        2.79303        2.25215
H         -0.92639        1.76248        2.92337
H          0.77089        1.33797        3.15205
C          1.31601       -0.00048       -1.15048
C          2.56570       -0.00094       -2.02598
H          2.57159        0.87665       -2.67793
H          3.47580        0.00844       -1.41679
H          2.58085       -0.88852       -2.66412
52
2b.log	Energy:     287.6090000
B          1.44873        0.02825        0.54565
B          0.00916        0.92625        1.05413
B          0.91968        1.46620       -0.39091
B         -0.90999        1.48993       -0.38242
B         -1.46438        0.03687        0.55188
B         -0.01022       -0.84405        1.07021
B         -0.01495        0.77507       -1.71164
B          1.44569       -0.01047       -1.23137
B         -0.03519       -0.79803       -1.71486
B         -1.49120        0.00813       -1.22165
B         -0.92835       -1.43455       -0.35343
C          2.79417       -0.07754        1.39365
H          3.03019        0.89736        1.83782
H          2.71907       -0.79510        2.21994
H          3.65777       -0.36579        0.78269
C          0.03706       -1.74134        2.39075
H          0.50780       -1.20119        3.22071
H         -0.97183       -2.01961        2.71672
H          0.60003       -2.67188        2.25115
C         -1.66839       -2.84681       -0.29121
H         -2.73315       -2.71162       -0.51790
H         -1.27392       -3.55122       -1.03340
H         -1.60583       -3.32440        0.69473
C          2.79374       -0.14328       -2.08229
H          2.75021       -0.99526       -2.77230
H          2.93183        0.75435       -2.69765
H          3.69222       -0.25704       -1.46158
C         -2.85220       -0.03407       -2.07260
H         -3.68847       -0.44717       -1.49172
H         -3.15536        0.96752       -2.40425
H         -2.73584       -0.65267       -2.97091
C         -1.73204        2.86198       -0.36434
H         -2.21296        3.03778        0.60677
H         -1.09013        3.72812       -0.56909
H         -2.52667        2.86155       -1.12063
C         -2.78914        0.02812        1.45291
H         -2.64047        0.54267        2.41091
H         -3.62238        0.52821        0.94361
H         -3.12127       -0.99286        1.68363
C          0.03508        1.76940        2.41784
H          1.02114        2.21045        2.61066
H         -0.68635        2.59495        2.39739
H         -0.21313        1.14591        3.28629
C          1.79311        2.80822       -0.40449
H          2.70600        2.69202       -1.00222
H          1.23337        3.65058       -0.82938
H          2.10447        3.10533        0.60565
C          0.82463       -1.32937       -0.35084
C          1.60666       -2.63590       -0.33520
H          2.05913       -2.81943       -1.31266
H          2.40753       -2.60437        0.40967
H          0.95612       -3.48157       -0.09771
52
2c.log	Energy:     287.8350000
B          0.01233        0.88938        1.03812
B          0.92856        1.46781       -0.38060
B          1.47445        0.00191        0.54446
B          1.50374        0.00367       -1.22884
B          0.03338        0.78813       -1.73710
B         -0.87415        1.45585       -0.40573
B          0.93422       -1.46432       -0.38105
B          0.01412       -0.89027        1.03724
B         -0.86873       -1.45929       -0.40622
B          0.03614       -0.78720       -1.73702
B         -1.42578       -0.00249       -1.26251
C         -0.09500        1.71731        2.39933
H          0.90109        2.04126        2.72253
H         -0.70774        2.62025        2.29220
H         -0.51951        1.12784        3.22088
C         -1.78590        2.76363       -0.32846
H         -1.20938        3.62863        0.02075
H         -2.19365        3.01851       -1.31322
H         -2.63719        2.64771        0.35412
C         -2.85182       -0.00484       -1.99233
H         -2.70124        0.01460       -3.07728
H         -3.44401       -0.89995       -1.76217
H         -3.46241        0.86976       -1.73303
C         -1.77858       -2.76846       -0.32768
H         -2.14378       -3.05336       -1.32087
H         -1.21656       -3.62105        0.07198
H         -2.65865       -2.63364        0.31376
C         -0.09603       -1.72328        2.39508
H         -0.88355       -2.48547        2.35722
H          0.84488       -2.25044        2.59024
H         -0.29352       -1.08773        3.26656
C          1.75741       -2.83714       -0.32140
H          1.14096       -3.70161       -0.59959
H          2.60941       -2.81289       -1.01200
H          2.16143       -3.03475        0.68040
C          2.86220        0.00362       -2.08536
H          2.94678        0.90985       -2.69899
H          3.75575       -0.04454       -1.44780
H          2.90056       -0.85329       -2.77019
C          1.73889        2.84797       -0.31804
H          2.06737        3.09113        0.70135
H          2.63882        2.80404       -0.94385
H          1.13815        3.69413       -0.67530
C          2.78431        0.00344        1.46590
H          2.65817       -0.60411        2.37147
H          3.65321       -0.39573        0.92811
H          3.05065        1.01684        1.79399
C         -1.33191       -0.00159        0.45852
C         -2.60810       -0.00284        1.28363
H         -2.65072       -0.87528        1.94129
H         -2.67070        0.88970        1.91210
H         -3.48887       -0.02316        0.63634
52
2d.log	Energy:     287.7680000
B         -1.45480        0.02789        0.51972
B         -1.47895        0.02972       -1.24734
B         -0.89942        1.48609       -0.37514
B          0.00203        0.80013       -1.71676
B         -0.01501       -0.77262       -1.75630
B         -0.92154       -1.42751       -0.40910
B          0.92976        1.46487       -0.38343
B          0.01329        0.89994        1.03183
B          1.45893       -0.00845        0.50647
B          1.47017       -0.00336       -1.25937
B          0.88843       -1.44833       -0.41554
C         -2.73975       -0.04177        1.46317
H         -3.41367        0.79273        1.23494
H         -3.31100       -0.96632        1.31446
H         -2.49883        0.02661        2.53100
C         -1.73207       -2.79820       -0.29381
H         -2.78501       -2.64704       -0.56093
H         -1.32848       -3.55034       -0.98174
H         -1.71409       -3.23449        0.71276
C          1.66558       -2.83678       -0.28461
H          2.24479       -3.01680       -1.19781
H          2.37730       -2.84709        0.55083
H          0.99071       -3.69181       -0.15643
C          2.74531       -0.09516        1.44635
H          3.58675       -0.55777        0.91713
H          3.07214        0.90333        1.76140
H          2.57621       -0.68205        2.35756
C          0.04771        1.64368        2.44556
H          0.98353        1.46834        2.98956
H         -0.03693        2.72634        2.29698
H         -0.77726        1.34661        3.10364
C          1.78425        2.81779       -0.32413
H          2.70038        2.73755       -0.92243
H          1.21713        3.67191       -0.71505
H          2.08770        3.07243        0.70018
C          2.83752       -0.01287       -2.10263
H          2.99143       -0.97370       -2.61112
H          2.82122        0.76207       -2.87923
H          3.72007        0.17030       -1.47383
C         -2.85763        0.04659       -2.07242
H         -3.73311        0.18017       -1.42129
H         -2.86562        0.86324       -2.80542
H         -3.00303       -0.88747       -2.63031
C         -1.72566        2.85674       -0.31794
H         -1.97399        3.15145        0.71030
H         -1.16432        3.68594       -0.76646
H         -2.67128        2.77407       -0.86842
C         -0.00767       -0.81421        0.92736
C         -0.01707       -1.61164        2.22327
H          0.31780       -0.99522        3.06141
H         -1.02211       -1.97070        2.45598
H          0.64397       -2.47911        2.15625
52
2e.log	Energy:     286.3360000
B         -1.20577       -0.87316        0.74179
B         -0.47807       -1.46444       -0.81997
B         -1.53941        0.00089       -0.81415
B          0.00020       -0.00213       -1.55792
B          1.24506       -0.90673       -0.81815
B          0.45984       -1.42374        0.72581
B         -0.47435        1.46322       -0.82492
B         -1.20410        0.88227        0.73227
B          0.46353        1.42161        0.72820
B          1.24681        0.90265       -0.81701
B          1.48868       -0.00248        0.74198
C         -2.34883       -1.70444        1.48980
H         -2.93953       -2.29920        0.78216
H         -1.92254       -2.39590        2.22577
H         -3.04427       -1.04559        2.02301
C          0.89504       -2.76279        1.48449
H          0.18825       -3.58261        1.30722
H          1.88306       -3.11215        1.16054
H          0.94057       -2.59279        2.56610
C          2.90224       -0.00286        1.48975
H          3.72309        0.22512        0.79857
H          2.92617        0.74648        2.28918
H          3.11948       -0.97572        1.94641
C         -2.33869        1.71718        1.48958
H         -2.10077        2.78708        1.53066
H         -3.31409        1.61926        0.99742
H         -2.44919        1.36749        2.52218
C         -0.92980        2.84659       -1.48700
H         -0.08939        3.37410       -1.95436
H         -1.69403        2.70044       -2.25986
H         -1.35731        3.52155       -0.73605
C          2.43150        1.75055       -1.47884
H          3.04640        2.23414       -0.71050
H          3.10056        1.12236       -2.07941
H          2.05293        2.54453       -2.13410
C          2.43324       -1.75540       -1.47233
H          2.08139       -2.71686       -1.86574
H          2.91573       -1.22109       -2.29964
H          3.21232       -1.97458       -0.73252
C         -0.93945       -2.84699       -1.47934
H         -1.78527       -2.71377       -2.16473
H         -0.13010       -3.32104       -2.04793
H         -1.25627       -3.56292       -0.71172
C         -2.99817       -0.00516       -1.47178
H         -3.24558        0.95966       -1.93092
H         -3.09721       -0.77236       -2.24925
H         -3.76687       -0.21081       -0.71741
C          0.00081        0.00045        1.50535
C          0.89196        2.76418        1.48436
H          0.37729        3.64255        1.07596
H          0.64487        2.70011        2.54999
H          1.96917        2.95495        1.40513
52
2f.log	Energy:     285.8940000
B         -1.45664        0.32820        0.79757
B         -0.91157       -1.25196        0.17354
B         -1.49597        0.01826       -0.94466
B          0.00016       -0.94866       -1.33820
B          0.90989       -1.25377        0.17363
B         -0.00075       -0.41114        1.46379
B          0.00101        0.74534       -1.39148
B         -0.90992        1.64507       -0.27929
B          0.91297        1.64360       -0.27835
B          1.49694        0.01644       -0.94443
B          1.45733        0.32524        0.79804
C         -2.73140        0.54693        1.73422
H         -3.13691       -0.40507        2.10016
H         -2.46563        1.15334        2.60875
H         -3.54440        1.06583        1.20968
C         -0.00276       -0.90294        2.98960
H         -0.86899       -1.53865        3.20962
H          0.89833       -1.47920        3.23215
H         -0.03990       -0.04581        3.67112
C          2.73235        0.53903        1.73547
H          3.14486       -0.41611        2.08519
H          3.54077        1.07125        1.21725
H          2.46476        1.12994        2.62000
C         -1.69882        3.02016       -0.43266
H         -1.31051        3.63459       -1.25487
H         -2.76798        2.85936       -0.62058
H         -1.60796        3.60408        0.49140
C          2.82367       -0.10705       -1.82836
H          3.36049       -1.03908       -1.61175
H          2.61529       -0.09597       -2.90601
H          3.51599        0.71982       -1.62537
C         -0.00100       -1.96972       -2.57342
H         -0.00176       -3.00645       -2.21598
H         -0.88582       -1.84786       -3.20929
H          0.88412       -1.84955       -3.20918
C          1.72649       -2.60595        0.42800
H          1.49363       -3.37301       -0.32175
H          2.81168       -2.44388        0.39771
H          1.49277       -3.03731        1.40986
C         -1.73147       -2.60282        0.42463
H         -2.80821       -2.41673        0.52804
H         -1.60543       -3.31780       -0.39861
H         -1.40213       -3.10910        1.34107
C         -2.82265       -0.10689       -1.82855
H         -3.52388        0.70906       -1.61229
H         -2.61638       -0.07762       -2.90626
H         -3.34835       -1.04803       -1.62437
C          0.00120        1.20911        1.05464
C          1.70332        3.01782       -0.43235
H          1.33313        3.62029       -1.27164
H          1.59076        3.61402        0.48141
H          2.77672        2.85635       -0.59359
52
2g.log	Energy:     286.7340000
B         -0.89555       -1.23760       -0.01866
B         -1.48433        0.15533        0.90866
B          0.00659       -0.72081        1.41811
B         -0.00664        0.99920        1.32241
B         -0.94055        1.71199        0.08715
B         -1.47478        0.24480       -0.85741
B          1.48200        0.17538        0.90684
B          0.91221       -1.22405       -0.02251
B          1.46835        0.26540       -0.86147
B          0.91863        1.72204        0.08590
B         -0.00865        1.14288       -1.25843
C         -1.64394       -2.63808       -0.16337
H         -1.65373       -3.16333        0.79969
H         -2.68733       -2.52339       -0.48023
H         -1.15285       -3.30612       -0.88172
C         -2.74585        0.19396       -1.82053
H         -3.25248       -0.78004       -1.82026
H         -3.48155        0.94115       -1.49812
H         -2.47855        0.43738       -2.85628
C          1.69134       -2.60670       -0.17741
H          2.77726       -2.46660       -0.11840
H          1.40877       -3.30888        0.61645
H          1.48055       -3.10538       -1.13149
C          1.75966        3.07984        0.11370
H          1.83840        3.51459       -0.89130
H          1.28625        3.82571        0.76461
H          2.77892        2.92345        0.49208
C         -1.80187        3.05668        0.11850
H         -2.66109        2.97887        0.79790
H         -1.19420        3.90314        0.46176
H         -2.18129        3.30986       -0.88025
C         -2.81478        0.07546        1.79584
H         -2.61390        0.32170        2.84623
H         -3.57979        0.77737        1.43985
H         -3.26202       -0.92730        1.77315
C          0.00011       -0.53358       -1.30376
C         -0.00347       -1.21353       -2.66984
H          0.92988       -1.75512       -2.84223
H         -0.83159       -1.92217       -2.75314
H         -0.11143       -0.46522       -3.45894
C          2.74073        0.21702       -1.82354
H          2.47518        0.46268       -2.85922
H          3.47651        0.96319       -1.49846
H          3.24594       -0.75794       -1.82212
C          2.81248        0.11782        1.79571
H          3.25778       -0.88585        1.80669
H          3.57963        0.80745        1.42051
H          2.60997        0.39740        2.83749
C          0.01503       -1.57963        2.77364
H         -0.94288       -2.08825        2.93825
H          0.79703       -2.34906        2.76064
H          0.19948       -0.94772        3.65030
52
2h.log	Energy:     286.5010000
B         -0.06951        1.03854        1.32049
B          0.04107       -0.67344        1.43579
B         -1.49181        0.10723        0.88443
B         -0.83515       -1.29993       -0.00113
B          0.98583       -1.18888        0.00264
B          1.45420        0.27084        0.89511
B         -1.49248        0.10934       -0.88535
B         -1.02714        1.63527        0.00224
B         -0.06828        1.03643       -1.32036
B          0.04236       -0.67454       -1.43554
B          1.45485        0.26667       -0.89191
C          2.78970        0.44984        1.74836
H          2.57225        0.71671        2.78987
H          3.37687       -0.47731        1.75658
H          3.43803        1.23562        1.34061
C         -1.84456        3.00193       -0.00124
H         -1.72702        3.54009       -0.95096
H         -2.91663        2.81054        0.13917
H         -1.52423        3.66502        0.81242
C         -2.81680        0.05867       -1.78237
H         -2.61175        0.32849       -2.82631
H         -3.27125       -0.94043       -1.78218
H         -3.57838        0.75782       -1.41316
C          0.09106       -1.51070       -2.80453
H          1.06248       -1.41907       -3.30528
H         -0.08229       -2.57807       -2.62073
H         -0.67522       -1.17510       -3.51303
C         -1.54882       -2.73159       -0.00250
H         -0.82129       -3.55195       -0.05025
H         -2.15052       -2.88591        0.90237
H         -2.22403       -2.84812       -0.85987
C          1.90263       -2.50173        0.00216
H          1.69757       -3.14031        0.87083
H          1.73454       -3.11268       -0.89397
H          2.97222       -2.25674        0.02827
C          0.08810       -1.50691        2.80653
H         -0.68988       -1.18220        3.50729
H         -0.06722       -2.57698        2.62225
H          1.05343       -1.40082        3.31616
C         -2.81471        0.05174        1.78331
H         -3.59842        0.71040        1.38679
H         -3.23685       -0.96065        1.82303
H         -2.61899        0.36954        2.81549
C          0.73704        1.60303       -0.00443
C          1.42036        2.96045       -0.00405
H          1.04971        3.56381       -0.83925
H          1.20975        3.48094        0.93704
H          2.50483        2.85786       -0.10933
C          2.79006        0.44139       -1.74673
H          3.26698       -0.53140       -1.92145
H          2.59126        0.89548       -2.72529
H          3.52998        1.07108       -1.23625
52
2i.log	Energy:     286.5010000
B         -0.06951        1.03854        1.32049
B          0.04107       -0.67344        1.43579
B         -1.49181        0.10723        0.88443
B         -0.83515       -1.29993       -0.00113
B          0.98583       -1.18888        0.00264
B          1.45420        0.27084        0.89511
B         -1.49248        0.10934       -0.88535
B         -1.02714        1.63527        0.00224
B         -0.06828        1.03643       -1.32036
B          0.04236       -0.67454       -1.43554
B          1.45485        0.26667       -0.89191
C          2.78970        0.44984        1.74836
H          2.57225        0.71671        2.78987
H          3.37687       -0.47731        1.75658
H          3.43803        1.23562        1.34061
C         -1.84456        3.00193       -0.00124
H         -1.72702        3.54009       -0.95096
H         -2.91663        2.81054        0.13917
H         -1.52423        3.66502        0.81242
C         -2.81680        0.05867       -1.78237
H         -2.61175        0.32849       -2.82631
H         -3.27125       -0.94043       -1.78218
H         -3.57838        0.75782       -1.41316
C          0.09106       -1.51070       -2.80453
H          1.06248       -1.41907       -3.30528
H         -0.08229       -2.57807       -2.62073
H         -0.67522       -1.17510       -3.51303
C         -1.54882       -2.73159       -0.00250
H         -0.82129       -3.55195       -0.05025
H         -2.15052       -2.88591        0.90237
H         -2.22403       -2.84812       -0.85987
C          1.90263       -2.50173        0.00216
H          1.69757       -3.14031        0.87083
H          1.73454       -3.11268       -0.89397
H          2.97222       -2.25674        0.02827
C          0.08810       -1.50691        2.80653
H         -0.68988       -1.18220        3.50729
H         -0.06722       -2.57698        2.62225
H          1.05343       -1.40082        3.31616
C         -2.81471        0.05174        1.78331
H         -3.59842        0.71040        1.38679
H         -3.23685       -0.96065        1.82303
H         -2.61899        0.36954        2.81549
C          0.73704        1.60303       -0.00443
C          1.42036        2.96045       -0.00405
H          1.04971        3.56381       -0.83925
H          1.20975        3.48094        0.93704
H          2.50483        2.85786       -0.10933
C          2.79006        0.44139       -1.74673
H          3.26698       -0.53140       -1.92145
H          2.59126        0.89548       -2.72529
H          3.52998        1.07108       -1.23625
52
2j.log	Energy:     287.2700000
B          0.90548       -1.20068       -0.81071
B          1.44604        0.48315       -0.78872
B          0.00152        0.00632       -1.62494
B         -0.01385        1.52256       -0.81446
B          0.88291        1.24690        0.76240
B          1.43154       -0.43580        0.78179
B         -1.45358        0.45314       -0.79294
B         -0.87574       -1.22204       -0.80800
B         -1.42729       -0.46059        0.77720
B         -0.90840        1.23192        0.75781
B         -0.00466        0.02948        1.63092
C          1.76058       -2.42952       -1.36068
H          2.47077       -2.08166       -2.11937
H          2.34707       -2.91796       -0.57389
H          1.13498       -3.19679       -1.83201
C          2.79095       -0.95684        1.44063
H          3.58001       -1.08887        0.69088
H          3.15816       -0.23849        2.18197
H          2.67086       -1.91617        1.95747
C         -1.69956       -2.47168       -1.35987
H         -2.60987       -2.13531       -1.86956
H         -1.12124       -3.05897       -2.08218
H         -2.01441       -3.15255       -0.56049
C         -1.79098        2.40712        1.39591
H         -1.18756        3.06357        2.03450
H         -2.24654        3.03625        0.62164
H         -2.60523        2.01490        2.01738
C         -0.02779        2.99408       -1.44658
H         -0.03179        3.76887       -0.67070
H          0.85106        3.17051       -2.07861
H         -0.91378        3.15588       -2.07256
C          1.74536        2.43387        1.40558
H          2.14927        3.10213        0.63552
H          1.14478        3.04802        2.08734
H          2.59665        2.05102        1.98184
C          2.85073        0.92449       -1.42305
H          2.74541        1.82639       -2.03783
H          3.59235        1.14841       -0.64655
H          3.27722        0.14424       -2.06553
C          0.01087       -1.37532        0.71967
C          0.01921       -2.75692        1.36065
H         -0.97635       -3.02365        1.72208
H          0.33078       -3.51914        0.64159
H          0.70253       -2.78611        2.21149
C         -2.77926       -1.00258        1.43459
H         -2.59799       -1.69631        2.26328
H         -3.35033       -0.16309        1.84755
H         -3.42634       -1.50837        0.70831
C         -2.86683        0.86232       -1.42936
H         -3.63902        0.97777       -0.65891
H         -2.80200        1.81598       -1.96689
H         -3.22900        0.11370       -2.14462
52
2k.log	Energy:     286.9480000
B          0.00042       -0.61953       -1.42765
B          1.49593        0.19545       -0.89204
B          0.03169        1.10248       -1.29160
B          0.97706        1.71691        0.01136
B          1.50159        0.17943        0.87975
B          0.89333       -1.23064       -0.01487
B         -0.88318        1.75096        0.01804
B         -1.44771        0.27451       -0.87767
B         -1.44139        0.25791        0.89453
B          0.04283        1.07936        1.30849
B          0.00879       -0.64198        1.41506
C         -0.09159       -1.47989       -2.77099
H          0.52093       -1.01788       -3.55292
H          0.27871       -2.50311       -2.63517
H         -1.11435       -1.54493       -3.15973
C          1.56886       -2.67504       -0.00813
H          2.63220       -2.59577       -0.26337
H          1.50953       -3.15566        0.97614
H          1.11605       -3.36045       -0.73501
C         -2.79587        0.18392       -1.72766
H         -3.53327        0.91055       -1.36606
H         -2.60863        0.41103       -2.78421
H         -3.26847       -0.80585       -1.68082
C          1.85981        3.04780        0.01812
H          2.57173        3.05883        0.85410
H          2.42957        3.16082       -0.91374
H          1.22658        3.93776        0.12180
C          2.82113        0.08604        1.78390
H          3.54924        0.85569        1.49828
H          2.59671        0.23506        2.84813
H          3.32423       -0.88544        1.68371
C          2.81104        0.13619       -1.80493
H          3.51557        0.93084       -1.52924
H          3.34638       -0.81781       -1.70530
H          2.57494        0.27206       -2.86855
C         -0.85380       -1.09161       -0.00801
C         -1.66014       -2.38149       -0.02495
H         -2.64052       -2.23519        0.43613
H         -1.81572       -2.72809       -1.05019
H         -1.14327       -3.17533        0.52078
C         -2.78602        0.13951        1.74814
H         -2.78571       -0.71822        2.43234
H         -2.91188        1.03992        2.36044
H         -3.67533        0.05534        1.11027
C         -1.73707        3.10263        0.03583
H         -2.38236        3.16692        0.92241
H         -1.07709        3.97876        0.05186
H         -2.37483        3.19424       -0.85368
C         -0.05925       -1.52634        2.74492
H          0.93785       -1.87093        3.04152
H         -0.46924       -0.95157        3.58237
H         -0.68895       -2.41630        2.62327
52
2.log	Energy:     286.5360000
B          0.91078       -1.44760       -0.20621
B          0.00559       -0.76398        1.17042
B          1.46871        0.07869        0.58226
B         -0.01037        1.00693        1.00546
B         -1.47018        0.05249        0.57950
B         -0.88803       -1.46197       -0.20744
B          0.92429        1.45716       -0.45618
B          1.48866       -0.08801       -1.17693
B         -0.00258        0.60385       -1.64440
B         -0.94402        1.44230       -0.45907
B         -1.48448       -0.11119       -1.18031
C          1.69277       -2.83801       -0.18810
H          1.55810       -3.36409        0.76523
H          1.33371       -3.50316       -0.98270
H          2.77150       -2.70318       -0.33670
C         -1.65000       -2.86362       -0.20322
H         -1.36053       -3.48511        0.65310
H         -2.73880       -2.73447       -0.15745
H         -1.42684       -3.43386       -1.11302
C         -2.76021       -0.27655       -2.12728
H         -3.67088       -0.44155       -1.53689
H         -2.93568        0.60890       -2.75168
H         -2.64083       -1.13602       -2.79763
C          2.76884       -0.23072       -2.12156
H          2.90140        0.63610       -2.78170
H          3.68701       -0.32933       -1.52786
H          2.68888       -1.12069       -2.75702
C          1.74161        2.82119       -0.60399
H          1.11172        3.65022       -0.95019
H          2.17768        3.12730        0.35488
H          2.57038        2.72147       -1.31640
C         -1.77636        2.79727       -0.60355
H         -2.72027        2.63756       -1.13998
H         -2.02904        3.21451        0.37910
H         -1.22024        3.57140       -1.14720
C         -0.03523        1.98976        2.27449
H         -1.05419        2.13140        2.65562
H          0.56566        1.59252        3.10239
H          0.36231        2.98384        2.03582
C         -2.81370        0.10769        1.44860
H         -2.62796       -0.12109        2.50551
H         -3.28465        1.09859        1.41019
H         -3.55869       -0.61481        1.08995
C          0.01642       -1.49500        2.59879
H          0.98745       -1.95783        2.81461
H         -0.18847       -0.78538        3.41026
H         -0.74184       -2.28519        2.66334
C          2.81160        0.14322        1.45142
H          3.60076        0.71473        0.94564
H          2.64598        0.61745        2.42696
H          3.21508       -0.85906        1.64630
C          0.00915       -0.86767       -1.52527
60
3.log	Energy:     331.1030000
B         -0.43673        0.02693       -1.52986
C         -1.26213        0.05898       -0.01501
B          1.03929       -0.91656       -1.21825
B          1.09919        0.86384       -1.22169
B          1.98864       -0.05752        0.02329
B          1.00251       -1.46572        0.48614
B         -0.47860       -1.41971       -0.47418
B          1.10132        1.41984        0.47575
B         -0.38847        1.48239       -0.48431
B         -0.43251        0.93431        1.22021
B          1.03237       -0.01850        1.52997
B         -0.49366       -0.86378        1.22395
C         -1.25781        0.04776       -2.89532
H         -0.93515        0.87921       -3.53211
H         -1.11392       -0.87521       -3.46947
H         -2.33611        0.16946       -2.73826
C         -2.77110        0.15362       -0.01818
O         -3.39479        1.19028       -0.05122
O         -3.45456       -1.01823        0.03071
C         -1.24256       -2.74408       -0.95616
H         -0.48828       -3.43774       -1.34374
H         -1.75501       -3.29918       -0.15585
H         -1.95574       -2.57522       -1.77108
C         -1.33157       -1.62401        2.34908
H         -0.73606       -1.68393        3.26732
H         -2.26604       -1.11395        2.60762
H         -1.58489       -2.65503        2.07113
C         -1.21766        1.77026        2.32367
H         -0.62540        2.64475        2.61816
H         -2.18191        2.13587        1.95765
H         -1.40426        1.18529        3.23213
C         -1.09432        2.83056       -0.94835
H         -1.58043        3.35470       -0.12019
H         -0.33915        3.50256       -1.37481
H         -1.85926        2.66452       -1.71256
C          1.83460        2.77033        0.92631
H          1.95881        2.82305        2.01529
H          2.83631        2.84973        0.48611
H          1.27602        3.66395        0.62136
C          1.69530       -0.03877        2.98808
H          1.83916       -1.06143        3.35957
H          2.68088        0.44251        2.98626
H          1.08107        0.49126        3.72686
C          3.58902       -0.12127        0.03920
H          3.97619       -0.37522        1.03405
H          3.97396       -0.87647       -0.65770
H          4.03934        0.83832       -0.24427
C          1.63435       -2.86170        0.95242
H          1.47498       -3.65781        0.21366
H          2.71743       -2.77821        1.10373
H          1.20296       -3.21306        1.89852
C          1.71059       -1.79324       -2.37872
H          2.59456       -1.29429       -2.79417
H          2.03911       -2.77521       -2.01482
H          1.02306       -1.97150       -3.21538
C          1.84530        1.68280       -2.37792
H          1.92645        2.74978       -2.13571
H          2.86553        1.31110       -2.53462
H          1.32603        1.60981       -3.34187
H         -2.83426       -1.76384        0.03158
60
4.log	Energy:      88.3860000
B         -0.15746       -0.83984        1.44702
B          0.08675        0.91596        1.44014
B          1.41043       -0.17807        0.94780
B          1.09781        1.31726        0.02540
B         -0.66562        1.57326       -0.04005
B         -1.43662        0.24079        0.83493
B          1.47277       -0.19823       -0.83804
B          0.69851       -1.52533        0.04461
B         -0.05627       -0.87113       -1.43141
B          0.18986        0.88407       -1.44773
B         -1.37196        0.21784       -0.94226
C         -0.38749       -1.72503        2.75819
H          0.52512       -1.74353        3.36586
H         -1.19060       -1.32993        3.39208
H         -0.63718       -2.76812        2.52881
C         -2.84221        0.35139        1.58305
H         -2.73169        0.27795        2.67750
H         -3.31604        1.32830        1.36674
H         -3.55884       -0.42915        1.27160
C         -2.71821        0.29059       -1.79659
H         -2.77519        1.25791       -2.31303
H         -2.76912       -0.48162       -2.57304
H         -3.61808        0.20419       -1.18323
C         -0.20415       -1.78553       -2.72567
H         -0.48324       -1.19074       -3.60172
H          0.73077       -2.29382       -2.97353
H         -0.96624       -2.56665       -2.61359
C          1.24556       -3.02665        0.06497
H          0.92215       -3.60547       -0.80906
H          2.34189       -3.01978        0.05204
H          0.93883       -3.58011        0.96059
C          2.84528       -0.42921       -1.63418
H          3.00607        0.34934       -2.39889
H          3.71265       -0.40182       -0.96319
H          2.86422       -1.39027       -2.15868
C          0.34342        1.69299       -2.82272
H         -0.57975        2.22477       -3.09667
H          1.13312        2.44937       -2.75508
H          0.59859        1.03510       -3.66962
C          2.12953        2.54454        0.03882
H          1.64291        3.49687       -0.21756
H          2.58752        2.68512        1.02929
H          2.94522        2.39128       -0.67290
C         -1.33373        3.03011       -0.08475
H         -1.32761        3.51030        0.89964
H         -0.79327        3.69706       -0.77059
H         -2.37930        2.99214       -0.42527
C          0.12584        1.73925        2.81229
H          0.40122        1.10231        3.66845
H          0.85403        2.56338        2.76875
H         -0.85603        2.18631        3.05080
C          2.72288       -0.37792        1.84549
H          3.12647       -1.39607        1.77191
H          3.52333        0.30871        1.54278
H          2.52410       -0.18620        2.90797
C         -0.98727       -1.18388       -0.01786
C         -1.95826       -2.35319       -0.04143
H         -1.44044       -3.28689       -0.27584
H         -2.44540       -2.47641        0.92904
H         -2.73820       -2.20159       -0.79210
46
6a.log	Energy:     250.3430000
B          0.03014        1.25325       -1.54219
B         -0.02870        1.51395        0.20725
B         -1.44183        0.87965       -0.67211
B         -0.96189        0.08537        0.82868
B          0.82527        0.08726        0.88205
B          1.47147        0.88907       -0.57900
B         -1.47266       -0.90083       -0.61329
B         -0.74705       -0.04274       -1.98358
B          0.02702       -1.51144       -1.39110
B         -0.06175       -1.39407        0.38050
B          1.44720       -0.93165       -0.43276
C          2.87588        1.63822       -0.66996
H          2.76721        2.70658       -0.44937
H          3.60742        1.23147        0.03932
H          3.31482        1.55796       -1.67283
C          2.81558       -1.74950       -0.41464
H          3.57291       -1.26244        0.21198
H          2.66885       -2.76145       -0.01906
H          3.24376       -1.85295       -1.42040
C         -2.82497       -1.75820       -0.63816
H         -2.81348       -2.51426       -1.43328
H         -2.98448       -2.28823        0.30973
H         -3.70382       -1.12266       -0.80440
C         -0.11424       -2.71051        1.29531
H          0.83180       -2.87709        1.82630
H         -0.90188       -2.64429        2.05598
H         -0.31333       -3.60956        0.69872
C         -1.83277        0.15156        2.17127
H         -1.23411       -0.06924        3.06438
H         -2.27676        1.14466        2.31675
H         -2.66107       -0.56865        2.15099
C          1.61672        0.17109        2.27440
H          1.33301        1.06067        2.84988
H          1.41054       -0.70149        2.90684
H          2.70418        0.21444        2.13093
C         -0.03511        2.92963        0.95396
H         -0.83557        3.57894        0.57836
H         -0.19514        2.81365        2.03355
H          0.91036        3.47205        0.82534
C         -2.77816        1.74607       -0.86207
H         -3.43219        1.31830       -1.63269
H         -3.35929        1.79843        0.06827
H         -2.55293        2.77631       -1.16627
C          0.91158       -0.13778       -1.80807
H          0.13833       -2.53229       -1.99667
H          1.51772       -0.19138       -2.70695
46
6b.log	Energy:     250.3170000
B         -0.04123       -1.32752        0.43721
B         -0.94124        0.15152        0.83054
B          0.85237        0.14230        0.85348
B         -0.00837        1.54870        0.14262
B         -1.45198        0.88632       -0.70280
B         -1.47227       -0.88763       -0.55554
B          1.48740        0.86772       -0.66254
B          1.45657       -0.91815       -0.43523
B          0.94937       -0.19873       -1.97257
B          0.01494        1.19478       -1.57828
B         -0.79140       -0.10137       -1.96960
C         -0.09434       -2.67091        1.29895
H         -0.87773       -2.62231        2.06432
H         -0.30595       -3.54873        0.67505
H          0.85444       -2.86098        1.81504
C         -2.75539       -1.83688       -0.54386
H         -2.87907       -2.36820        0.40808
H         -3.66501       -1.24793       -0.71180
H         -2.71082       -2.59088       -1.34042
C          2.72843       -1.87533       -0.33563
H          3.58957       -1.45184       -0.86611
H          3.03191       -2.03597        0.70620
H          2.53267       -2.86407       -0.77035
C          2.87431        1.66650       -0.71268
H          3.28125        1.70450       -1.73080
H          2.75822        2.70193       -0.36958
H          3.63815        1.20068       -0.07629
C          0.00218        2.98119        0.85518
H         -0.96195        3.49168        0.73767
H          0.19779        2.90297        1.93250
H          0.77052        3.64157        0.43374
C         -2.82293        1.70945       -0.85124
H         -3.47040        1.59317        0.02876
H         -2.63567        2.78367       -0.97584
H         -3.39178        1.37702       -1.72865
C         -1.80034        0.25459        2.17844
H         -1.31711       -0.25715        3.02071
H         -1.94699        1.29981        2.47846
H         -2.79815       -0.18781        2.06040
C          1.65661        0.26153        2.23608
H          2.65424        0.69520        2.09520
H          1.12872        0.89607        2.95825
H          1.79397       -0.71852        2.71143
C          0.02127       -1.40594       -1.26395
H          0.01235       -2.40032       -1.70265
H          1.58715       -0.42846       -2.95750
46
6.log	Energy:     249.0020000
B          1.47073        0.87265       -0.61280
B          0.91416        0.10752        0.87991
B          0.00726        1.52102        0.20078
B         -0.87956        0.09717        0.82896
B          0.02805       -1.37433        0.41409
B          1.47929       -0.89595       -0.51184
B         -1.49376        0.84562       -0.68406
B          0.02140        1.12246       -1.48468
B         -0.91094       -0.20398       -2.00876
B         -1.45133       -0.96035       -0.51055
B          0.03150       -1.53122       -1.35706
C          2.82261        1.69478       -0.83100
H          3.47752        1.61645        0.04658
H          3.37893        1.31134       -1.69454
H          2.63882        2.76304       -1.00286
C          2.84909       -1.71194       -0.56654
H          3.69562       -1.11963       -0.19633
H          2.79820       -2.62312        0.04210
H          3.08515       -2.01500       -1.59368
C         -2.84599        1.69200       -0.76345
H         -3.59915        1.30028       -0.06855
H         -2.69267        2.74793       -0.50779
H         -3.28546        1.65777       -1.76807
C         -2.79250       -1.82836       -0.39843
H         -2.65263       -2.71837        0.22802
H         -3.61442       -1.25053        0.04399
H         -3.13458       -2.17371       -1.38244
C         -1.73538        0.23070        2.18101
H         -2.37407       -0.64742        2.33945
H         -1.08813        0.32417        3.06195
H         -2.39267        1.10891        2.16777
C          0.05331       -2.67162        1.35881
H          1.02913       -2.80766        1.84134
H         -0.69399       -2.59814        2.15911
H         -0.16187       -3.58834        0.79616
C          1.73550        0.20764        2.25102
H          1.66487        1.20786        2.69770
H          1.37185       -0.50667        3.00023
H          2.80248       -0.00218        2.09918
C         -0.02815        2.95779        0.89668
H         -0.72447        3.64475        0.39946
H         -0.34337        2.88361        1.94474
H          0.96012        3.43473        0.88867
C          0.78353       -0.09194       -1.84306
H         -1.42769       -0.26248       -3.08295
H          0.14641       -2.56501       -1.93943
55
7.log	Energy:     298.2900000
B          0.63250       -1.47464       -0.32720
C          1.33637        0.00079        0.25159
B         -0.65133       -0.91133       -1.40856
B         -0.97825       -1.44978        0.30654
B         -1.78541       -0.00102       -0.36036
B         -0.65244        0.90864       -1.40973
B          0.85133       -0.00063       -1.31487
B         -1.15148        0.00036        1.33124
B          0.38574       -0.89753        1.34174
B          0.38549        0.89964        1.34022
B         -0.97935        1.44923        0.30499
B          0.63089        1.47499       -0.32962
C          1.55148       -2.74535       -0.60620
H          0.92268       -3.64223       -0.65630
H          2.09680       -2.66838       -1.55287
H          2.28918       -2.91311        0.18669
C          2.72557        0.00099       -0.39652
O          3.85735        0.00203        0.01337
O          2.31677       -0.00031       -1.70923
C          1.54869        2.74588       -0.61163
H          0.91838        3.64124       -0.66920
H          2.28299        2.91935        0.18318
H          2.09781        2.66488       -1.55578
C          1.01132        1.69586        2.56793
H          0.67756        1.28443        3.52792
H          2.10663        1.65676        2.55946
H          0.72118        2.75272        2.54744
C          1.01178       -1.69117        2.57104
H          0.65908       -1.29224        3.52954
H          0.74128       -2.75298        2.54038
H          2.10622       -1.63204        2.57575
C         -2.11862        0.00133        2.60823
H         -1.55118        0.03686        3.54728
H         -2.79219        0.86703        2.60907
H         -2.74549       -0.89793        2.64681
C         -1.77516        2.80152        0.61875
H         -1.56856        3.58286       -0.12345
H         -2.85978        2.63807        0.62068
H         -1.51078        3.21277        1.60117
C         -3.36204       -0.00124       -0.64303
H         -3.67230        0.87382       -1.22772
H         -3.67634       -0.88985       -1.20466
H         -3.94011        0.01196        0.28952
C         -1.13485        1.77954       -2.66056
H         -1.37037        1.15257       -3.52932
H         -2.04074        2.35095       -2.42399
H         -0.37177        2.50071       -2.97846
C         -1.13159       -1.78490       -2.65822
H         -2.08177       -2.29199       -2.45076
H         -1.28657       -1.16951       -3.55302
H         -0.40184       -2.56048       -2.92152
C         -1.77197       -2.80321        0.62079
H         -1.48582       -3.22941        1.59068
H         -2.85558       -2.63599        0.65063
H         -1.58603       -3.57449       -0.13723
40
8.log	Energy:     212.8640000
B         -0.57715        0.63492        0.67563
B         -1.01177        0.48650       -1.04841
B          0.69914        0.90715       -0.53565
B          0.38357       -0.36582       -1.70645
B         -1.06222       -1.26801       -1.39440
B         -1.66717       -0.68551        0.15885
B          1.68976       -0.59165       -0.58172
B          1.06181       -0.01274        0.97233
B          1.01344       -1.76348        0.55589
B          0.57432       -1.82262       -1.13853
B         -0.66184       -2.18022        0.05502
C         -1.15000        1.75439        1.66162
H         -1.95701        2.32462        1.18676
H         -1.56081        1.31953        2.58152
H         -0.37645        2.47232        1.95825
C         -3.16626       -0.73217        0.70499
H         -3.61204        0.26869        0.75972
H         -3.80059       -1.33701        0.04616
H         -3.22981       -1.17135        1.70908
C          1.90663        0.52509        2.21533
H          2.89372        0.05031        2.26332
H          2.06893        1.60777        2.14458
H          1.40571        0.33645        3.17376
C          3.25503       -0.53563       -0.93916
H          3.68137       -1.54281       -1.02940
H          3.42031       -0.02784       -1.89784
H          3.83786        0.00188       -0.17775
C         -1.95788        1.56607       -1.75778
H         -2.75145        1.92369       -1.08777
H         -1.39479        2.44742       -2.08927
H         -2.44924        1.14146       -2.64144
C          1.31097        2.36606       -0.78024
H          1.09181        3.05486        0.04672
H          2.40203        2.32661       -0.88899
H          0.91281        2.82225       -1.69506
C         -0.34167       -0.95878        1.20630
H         -0.59443       -1.18256        2.23597
H          1.60099       -2.53229        1.25296
H         -1.12374       -3.20930        0.44061
H         -1.81554       -1.69748       -2.22096
28
9.log	Energy:     136.3060000
B         -0.46471       -1.15496       -0.98288
C          0.26400        0.09607       -1.27068
B         -1.99881       -0.96256       -0.20371
B         -0.51071       -1.61951        0.68076
H         -0.52553       -2.72495        1.12427
B         -1.45608       -0.25834        1.34849
B         -2.02692        0.82757        0.04334
H         -3.04509        1.44418        0.11870
B         -1.43665        0.15961       -1.47807
H         -1.91330        0.24690       -2.56690
B          0.32955       -0.21520        1.44062
H          0.92587       -0.31099        2.47066
B          0.95784       -0.90325       -0.06177
B          0.90463        0.86538        0.11151
B         -0.59062        1.24736        1.01280
H         -0.59945        2.19038        1.74247
B         -0.55086        1.49254       -0.74558
H         -0.44978        2.54646       -1.29006
H         -2.11344       -0.43303        2.32766
H         -2.96457       -1.64844       -0.32270
C          2.34244       -1.66568       -0.29460
H          2.97956       -1.59863        0.59645
H          2.19769       -2.73138       -0.51192
H          2.89643       -1.22727       -1.13332
C          2.24320        1.73436        0.11224
H          3.12173        1.13500        0.38204
H          2.43246        2.16924       -0.87668
H          2.17628        2.56075        0.83008
46
IMB2.log	Energy:     249.7010000
B          0.99491        1.02444        0.23369
B          0.79372       -0.57177        1.01790
B         -0.60496        0.60707        0.88455
B         -0.84015       -1.07686        0.58222
B          0.56605       -1.72114       -0.34320
B          1.77040       -0.43116       -0.47926
B         -1.66594        0.04115       -0.50346
B         -0.52215        1.40518       -0.69962
B         -0.69152        0.18823       -1.99377
B         -0.80551       -1.38136       -1.19375
B          0.74275       -0.79385       -1.85157
C          1.88914        2.22109        0.79689
H          2.08801        2.08179        1.86627
H          2.86274        2.28626        0.29515
H          1.39477        3.19361        0.68504
C          3.36089       -0.48227       -0.60244
H          3.83869       -0.42227        0.38327
H          3.69388       -1.41339       -1.07525
H          3.75743        0.34746       -1.20182
C         -0.93576        2.92904       -0.94236
H         -1.90015        2.99426       -1.45980
H         -1.03535        3.47889        0.00134
H         -0.20116        3.46534       -1.55717
C         -3.24509        0.31304       -0.48628
H         -3.66061        0.34476       -1.50146
H         -3.77975       -0.47468        0.05891
H         -3.49783        1.26641       -0.00362
C         -1.67601       -2.06067        1.53936
H         -1.06360       -2.88194        1.93238
H         -2.07090       -1.51175        2.40468
H         -2.53520       -2.51094        1.02659
C          1.46704       -0.86346        2.44185
H          1.40447        0.00164        3.11507
H          0.97385       -1.70148        2.94963
H          2.52946       -1.12314        2.34792
C         -1.19325        1.37575        2.16111
H         -2.26010        1.60322        2.03976
H         -1.09776        0.77344        3.07323
H         -0.68040        2.32820        2.34885
C          0.87044        0.77158       -1.43501
H          1.43490        1.44249       -2.07551
H         -1.06368        0.56745       -3.06033
H          1.24031       -1.26629       -2.82700
C         -0.26972       -2.91999       -1.07546
H         -0.82651       -3.62790       -0.46091
H          0.16040       -3.39566       -1.95988
28
IMB5.log	Energy:     136.5020000
B         -0.93373       -1.52255        0.13447
C          0.48902       -0.89911       -0.63404
B         -2.13398       -0.31045       -0.03718
B         -1.15162       -0.45366        1.49467
H         -1.64013       -0.81639        2.51968
B         -1.50694        1.14310        0.77090
B         -1.42899        0.98570       -1.03047
H         -2.10885        1.63268       -1.76599
B         -1.02037       -0.70481       -1.41150
H         -1.31267       -1.28632       -2.40681
B          0.12669        0.82770        1.43590
H          0.53277        1.36708        2.41913
B          0.50970       -0.84912        0.94464
B          1.15969        0.57387        0.04556
B         -0.09688        1.73825       -0.12693
H          0.17081        2.89629       -0.23118
B          0.24916        0.57004       -1.46132
H          0.78982        0.82604       -2.48987
H         -2.25284        1.91109        1.29750
H         -3.29330       -0.58631       -0.07881
C          1.46640       -1.85633        0.09046
C          2.73626        0.84402        0.00881
H          1.22249       -2.91550        0.02881
H          2.52760       -1.65318       -0.03403
H          3.26212        0.42823        0.87669
H          3.21624        0.45515       -0.89741
H          2.90088        1.92857        0.01757
H         -1.02872       -2.70919        0.15962
46
IMBB2.log	Energy:     249.6170000
B          1.42432        0.52764        0.11892
B          0.71640       -0.85101        0.99283
B         -0.10495        0.74926        1.00387
B         -1.04511       -0.73869        0.73644
B         -0.07136       -1.84907       -0.25071
B          1.43458       -1.08374       -0.64876
B         -1.40227        0.72436       -0.22987
B          0.11542        1.48392       -0.62796
B         -0.71942        0.44538       -1.83586
B         -1.42100       -0.91914       -0.95303
B          0.09136       -1.13775       -1.85045
C          2.81339        1.23967        0.45739
H          3.45223        0.59633        1.07453
H          3.38294        1.48590       -0.44827
H          2.66269        2.17571        1.00879
C          2.83346       -1.78635       -0.96488
H          3.41546       -1.94443       -0.04861
H          2.69541       -2.76562       -1.43785
H          3.45563       -1.18094       -1.63717
C          0.35543        3.03436       -0.92383
H         -0.50986        3.49156       -1.41819
H          0.53486        3.59422        0.00214
H          1.22708        3.19847       -1.57064
C         -2.74873        1.57633       -0.03292
H         -3.51116        1.32541       -0.78064
H         -3.19910        1.41015        0.95340
H         -2.55511        2.65364       -0.11869
C          1.43190       -1.46711        2.28737
H          1.76537       -0.68737        2.98461
H          0.75113       -2.12597        2.84086
H          2.31512       -2.06466        2.02697
C         -0.18446        1.67939        2.30558
H         -1.22352        1.84117        2.61921
H          0.34313        1.23093        3.15691
H          0.25786        2.67083        2.14029
C          0.94706        0.29776       -1.52179
H          1.63948        0.66006       -2.27402
H         -1.06851        0.96270       -2.85099
H          0.29971       -1.70561       -2.87646
C         -2.45289       -1.48858        1.05044
C         -2.80059       -1.64526       -0.50312
H         -3.20919       -0.90380        1.58866
H         -2.36375       -2.46074        1.55099
H         -3.72905       -1.12775       -0.77371
H         -2.90313       -2.69582       -0.80090
H         -0.18305       -3.03143       -0.11382
52
IMBB.log	Energy:     286.7380000
B         -1.42735        0.16960        0.55209
B          0.00290        1.09193        0.92925
B         -0.07593       -0.67667        1.32496
B          1.41202        0.04210        0.62953
B          0.93876        1.30271       -0.57598
B         -0.84320        1.36194       -0.63360
B          0.84223       -1.55400        0.05318
B         -0.93400       -1.44464       -0.02711
B          0.04804       -1.22978       -1.48621
B          1.47694       -0.31733       -1.11747
B          0.06676        0.48398       -1.88252
C         -2.85378        0.40399        1.23521
H         -2.73453        1.05970        2.10604
H         -3.57119        0.89589        0.56745
H         -3.31742       -0.52305        1.59193
C         -1.73606        2.63100       -1.00292
H         -2.05979        3.17386       -0.10669
H         -1.18932        3.34002       -1.63589
H         -2.64240        2.34001       -1.54975
C          1.64330       -2.91339        0.33150
H          2.69095       -2.83678        0.01417
H          1.65108       -3.17199        1.39803
H          1.20531       -3.76447       -0.20621
C          2.85622       -0.52952       -1.90633
H          2.89704        0.07758       -2.81967
H          3.72117       -0.24807       -1.29228
H          2.99881       -1.57526       -2.20695
C          2.75511        0.19344        1.49246
H          3.32571        1.08604        1.20545
H          2.54414        0.27802        2.56635
H          3.42090       -0.66965        1.36358
C          1.83021        2.61064       -0.83101
H          2.13510        3.08598        0.10989
H          2.74714        2.37742       -1.38680
H          1.28563        3.36769       -1.41026
C         -0.00223        2.20537        2.08173
H         -0.43920        1.82777        3.01502
H          1.01441        2.54349        2.31816
H         -0.57700        3.09528        1.79385
C         -0.17156       -1.17742        2.84349
H          0.21009       -2.19963        2.96109
H          0.41235       -0.53953        3.51887
H         -1.20559       -1.17451        3.21224
C         -1.27219       -0.21394       -1.11690
H         -0.10140       -2.02825       -2.35844
C         -2.54343       -0.97598       -1.54239
C         -2.29283       -2.18173       -0.54458
H         -3.10166       -2.30698        0.18204
H         -2.14764       -3.13229       -1.06731
H         -3.46597       -0.42300       -1.34284
H         -2.52845       -1.26509       -2.59702
H          0.00938        0.84581       -3.01629
28
IMBC5.log	Energy:     137.2500000
B          0.49029        1.46282       -0.86707
C         -0.29662        0.00035       -1.25720
B          1.96254        0.90013       -0.04905
B          0.55581        1.46547        0.90264
H          0.57676        2.48014        1.52935
B          1.47407       -0.00042        1.41121
B          1.96256       -0.89997       -0.04958
H          2.98428       -1.51140       -0.11547
B          1.35794        0.00044       -1.45151
H          1.81828        0.00075       -2.54843
B         -0.27328       -0.00051        1.48298
H         -0.92611       -0.00079        2.48333
B         -0.89899        0.88001        0.07499
B         -0.89903       -0.88019        0.07443
B          0.55588       -1.46594        0.90165
H          0.57717       -2.48110        1.52759
B          0.49043       -1.46234       -0.86785
H          0.39645       -2.38931       -1.60875
H          2.15059       -0.00086        2.39423
H          2.98422        1.51167       -0.11451
C         -2.51108        0.79755       -0.00141
C         -2.51116       -0.79752       -0.00151
H         -0.92877        0.00049       -2.13841
H          0.39642        2.39049       -1.60711
H         -3.02823        1.20828        0.87196
H         -2.97530        1.22452       -0.90005
H         -3.02756       -1.20808        0.87239
H         -2.97625       -1.22458       -0.89965
52
IMBC.log	Energy:     287.1990000
B          1.10253       -1.28514        0.08804
B          0.17690       -0.50938        1.37894
B          1.42863        0.41614        0.49646
B         -0.10935        1.19010        0.83313
B         -1.39973       -0.03639        0.66068
B         -0.64097       -1.58332        0.21963
B          0.68600        1.43138       -0.77531
B          1.40928       -0.13180       -1.19695
B         -0.13340        0.34817       -1.91315
B         -1.08850        1.16042       -0.66101
B         -1.42274       -0.54449       -1.03937
C         -1.23706       -3.03606        0.50160
H         -1.16969       -3.28068        1.56857
H         -2.29257       -3.11947        0.21576
H         -0.68707       -3.81640       -0.04101
C         -2.69899       -1.09342       -1.82679
H         -3.52020       -1.33302       -1.14007
H         -3.07904       -0.35355       -2.54100
H         -2.47275       -2.00674       -2.39231
C          1.30224        2.83829       -1.23153
H          1.09128        3.05000       -2.28760
H          0.89121        3.67140       -0.64764
H          2.39243        2.86692       -1.10621
C         -2.15119        2.31185       -1.00123
H         -3.07732        1.90851       -1.43124
H         -2.43259        2.88011       -0.10562
H         -1.74647        3.03249       -1.72325
C         -0.25508        2.38594        1.89115
H         -1.26930        2.44075        2.30711
H          0.43412        2.27143        2.73760
H         -0.04246        3.36184        1.43625
C         -2.74913        0.01584        1.52414
H         -2.53880        0.08927        2.59870
H         -3.37158        0.87933        1.25749
H         -3.36497       -0.88180        1.37912
C          0.32600       -0.88446        2.92892
H          1.37443       -1.04741        3.21015
H         -0.05898       -0.08581        3.57521
H         -0.22387       -1.79887        3.18710
C          2.80933        0.83313        1.20060
H          3.54323        1.21738        0.48068
H          2.64895        1.62341        1.94466
H          3.28243       -0.00765        1.72388
C          0.09101       -1.20553       -1.27412
H         -0.26696        0.49216       -3.08895
H          0.19513       -2.02293       -1.98095
C          2.44911       -2.04662       -0.37986
C          2.73209       -0.99460       -1.54409
H          3.67783       -0.46296       -1.39531
H          2.76176       -1.45529       -2.53993
H          3.25248       -2.06677        0.36401
H          2.31596       -3.07043       -0.75329
52
IMB.log	Energy:     286.5850000
B         -1.38523       -0.96869       -0.26501
B         -0.56908       -0.56428        1.19371
B          0.19341       -1.69146       -0.03251
B          1.16381       -0.43223        0.80273
B          0.13253        1.05569        0.98684
B         -1.45904        0.71085        0.25643
B          1.43848       -0.72180       -0.94743
B         -0.20752       -0.96738       -1.62247
B          0.62235        0.60226       -1.73231
B          1.40688        0.97896       -0.25731
B         -0.22817        1.67763       -0.64540
C         -2.74537       -1.80113       -0.38471
H         -2.99278       -2.21676        0.60018
H         -3.59945       -1.18577       -0.69207
H         -2.67066       -2.64495       -1.08114
C         -2.83687        1.38792        0.68770
H         -3.34068        0.80895        1.47132
H         -2.69135        2.40348        1.07519
H         -3.53032        1.45820       -0.15930
C         -0.52211        3.20359       -1.00104
H         -0.63646        3.81416       -0.09677
H          0.28748        3.64520       -1.59432
H         -1.44708        3.30656       -1.58166
C         -1.35846       -0.43811       -2.65171
C          2.79078       -1.36543       -1.51076
H          3.67120       -1.00074       -0.96656
H          2.79137       -2.45916       -1.42094
H          2.94364       -1.12548       -2.57054
C          2.71417        1.90226       -0.18345
H          2.52060        2.91395       -0.56343
H          3.08005        2.00902        0.84555
H          3.53887        1.48841       -0.77754
C          2.27012       -0.82875        1.89355
H          2.54823        0.02913        2.51892
H          1.91994       -1.61918        2.56950
H          3.19210       -1.19170        1.42223
C          0.26376        2.05035        2.23640
H          0.91513        1.63008        3.01268
H          0.68949        3.02089        1.95168
H         -0.70766        2.24568        2.70835
C         -1.08878       -1.08289        2.61770
H         -1.10834       -2.17915        2.66958
H         -0.44803       -0.73266        3.43636
H         -2.10660       -0.73351        2.83532
C          0.37302       -3.25093        0.27809
H          1.12959       -3.71093       -0.37004
H          0.69361       -3.42285        1.31343
H         -0.56057       -3.80904        0.13140
C         -1.03956        0.34684       -1.35720
H          0.85695        0.98931       -2.83620
H         -2.33239       -0.92002       -2.70238
H         -1.07230        0.04884       -3.58253
52
IMCB.log	Energy:     287.1060000
B         -1.09538        1.17038       -0.50423
B         -0.11587        1.06673        0.96919
B         -1.38910       -0.15329        0.67099
B          0.19428       -0.68489        1.31975
B          1.42661        0.34678        0.54216
B          0.66613        1.47265       -0.59809
B         -0.62175       -1.64960        0.04623
B         -1.43041       -0.48560       -1.07228
B          0.10356       -1.18553       -1.49328
B          1.13062       -1.31176       -0.06432
B          1.40249       -0.03084       -1.18509
C         -2.12282        2.34638       -0.83688
H         -1.90873        3.24647       -0.24807
H         -2.08723        2.63531       -1.89535
H         -3.15654        2.05329       -0.61759
C          1.20782        2.91689       -1.00973
H          0.63327        3.72222       -0.53578
H          2.25522        3.04520       -0.71102
H          1.15796        3.07964       -2.09437
C         -2.74094       -0.77890       -1.93500
H         -2.97786       -1.84949       -1.94103
H         -3.61906       -0.25115       -1.54333
H         -2.61677       -0.47192       -2.98181
C         -1.26832       -3.09615        0.28474
H         -0.80565       -3.85855       -0.35504
H         -1.14192       -3.42591        1.32361
H         -2.34600       -3.10860        0.07562
C          0.34958       -1.19887        2.82970
H          1.40083       -1.37577        3.09144
H         -0.04408       -0.47442        3.55424
H         -0.18673       -2.14191        2.99638
C          2.79542        0.74283        1.28175
H          2.64389        1.57974        1.97547
H          3.19718       -0.09106        1.87065
H          3.58101        1.04635        0.57831
C         -0.26443        2.16845        2.12361
H         -1.31163        2.32115        2.41425
H          0.28201        1.87980        3.03005
H          0.12955        3.14466        1.81143
C         -2.73785       -0.18435        1.53689
H         -3.43632       -0.95348        1.18240
H         -2.52925       -0.40178        2.59192
H         -3.27197        0.77429        1.50669
C         -0.13600        0.46889       -1.72255
H         -0.27916        0.83998       -2.73250
H          0.21969       -1.89111       -2.44753
C          2.77336       -0.74943       -1.64909
C          2.55958       -1.91744       -0.57393
H          2.79308       -1.13266       -2.67558
H          3.69646       -0.18166       -1.48149
H          2.51818       -2.90642       -1.04684
H          3.36234       -1.93706        0.17260
52
IMC.log	Energy:     287.2660000
B          1.68041       -0.02667       -0.14448
B          0.61916       -0.92502        0.95807
B          0.64896        0.90353        0.95749
B         -0.88199        0.01275        1.16235
B         -0.85491       -1.45931        0.07753
B          0.75025       -1.48883       -0.73323
B         -0.80615        1.48603        0.07883
B          0.79871        1.46199       -0.73438
B         -0.65065        0.83553       -1.57839
B         -1.69462        0.02792       -0.36009
B         -0.67699       -0.81420       -1.57858
C          3.27570       -0.05201       -0.12029
H          3.65415       -0.94558        0.39099
H          3.70778       -0.04696       -1.12942
H          3.68089        0.81752        0.41136
C          1.57748       -2.76705       -1.20589
H          2.49746       -2.90812       -0.62511
H          0.98025       -3.67999       -1.09431
H          1.86550       -2.69775       -2.26293
C         -1.21245        0.01963       -2.86958
C          1.66594        2.71314       -1.20841
H          1.10418        3.64641       -1.08167
H          2.59879        2.81542       -0.64036
H          1.93554        2.64189       -2.27016
C         -1.52127        2.86228        0.47613
H         -2.56274        2.89526        0.13250
H         -1.53532        3.01261        1.56319
H         -1.00934        3.73018        0.04072
C         -3.28684        0.05211       -0.56863
H         -3.65282       -0.82075       -1.12392
H         -3.79506        0.04787        0.40435
H         -3.62873        0.94690       -1.10397
C         -1.66451        0.02441        2.56118
H         -2.45499       -0.73660        2.59024
H         -0.99735       -0.17003        3.41055
H         -2.14831        0.99242        2.74530
C         -1.62060       -2.80867        0.47253
H         -1.75204       -2.89596        1.55858
H         -2.62027       -2.85591        0.02283
H         -1.07475       -3.70250        0.14379
C          1.23992       -1.77551        2.16577
H          1.63672       -1.12731        2.95714
H          0.48833       -2.42528        2.63129
H          2.06410       -2.42178        1.83590
C          1.29878        1.73694        2.16234
H          1.76958        2.66290        1.80716
H          0.55030        2.02305        2.91164
H          2.07490        1.16396        2.68565
C          0.83535       -0.01437       -1.54390
H          1.34505       -0.02291       -2.50423
H         -0.62493        0.01030       -3.79225
H         -2.28272        0.03684       -3.06787
60
TS37.log	Energy:     328.6590000
B          0.54161        0.16311       -1.49485
C          1.22348       -0.44502       -0.00738
B         -0.74624        1.31573       -0.96440
B         -1.14250       -0.37232       -1.43061
B         -1.91796        0.37194        0.00767
B         -0.71894        1.38443        0.87024
B          0.69578        1.09940       -0.05842
B         -1.37367       -1.32432        0.06557
B          0.14462       -1.46940       -0.84349
B          0.17163       -1.40114        0.93698
B         -1.10245       -0.26195        1.47461
B          0.58184        0.27427        1.44773
C          1.44599        0.34866       -2.78617
H          1.52205       -0.58751       -3.34942
H          1.01329        1.10160       -3.45510
H          2.45964        0.66558       -2.52406
C          2.77028       -0.50045       -0.01977
O          3.35022       -1.59423        0.01082
O          3.24394        0.67835       -0.06350
C          1.77678        3.42489       -0.07164
C          1.52201        0.55193        2.69734
H          0.93435        0.51014        3.62195
H          2.31659       -0.19692        2.77018
H          2.00716        1.53168        2.64768
C          0.72226       -2.63090        1.77769
H          0.13605       -3.53547        1.57626
H          1.76400       -2.83863        1.51453
H          0.67318       -2.44354        2.85691
C          0.66280       -2.76110       -1.60800
H          0.21022       -3.66936       -1.19279
H          0.40880       -2.72815       -2.67424
H          1.74844       -2.85956       -1.51144
C         -2.42163       -2.53287        0.12679
H         -2.35317       -3.08106        1.07424
H         -3.45511       -2.17841        0.03159
H         -2.25255       -3.25804       -0.67860
C         -1.86758       -0.48339        2.86199
H         -2.02250        0.45709        3.40490
H         -2.85536       -0.93402        2.70702
H         -1.31100       -1.15356        3.52821
C         -3.46579        0.77994        0.01414
H         -3.95357        0.49630        0.95473
H         -3.60732        1.86069       -0.10946
H         -4.01572        0.28754       -0.79722
C         -1.10795        2.70217        1.68155
H         -1.13475        3.59426        1.04536
H         -2.10275        2.59642        2.12874
H         -0.40577        2.90241        2.49978
C         -1.16856        2.57030       -1.85513
H         -2.08899        2.35494       -2.40938
H         -1.36161        3.46341       -1.24898
H         -0.40273        2.83229       -2.59472
C         -1.94217       -0.69617       -2.77798
H         -2.42352       -1.68052       -2.73341
H         -2.73279        0.03984       -2.96935
H         -1.28364       -0.69702       -3.65521
H          1.99455        2.32956       -0.11952
H          1.05894        3.73342       -0.82836
H          1.43089        3.69164        0.92544
H          2.76344        3.85312       -0.27061
55
TS72.log	Energy:     296.1550000
B         -0.45016        1.48554       -0.56946
C         -1.22227       -0.00304       -0.17965
B          1.10045        0.93918       -1.32068
B          1.02826        1.47305        0.40480
B          1.96079        0.00347       -0.05541
B          1.10422       -0.93692       -1.31804
B         -0.32541       -0.00245       -1.38130
B          0.97576        0.00560        1.42402
B         -0.53237        0.89686        1.10151
B         -0.52765       -0.89684        1.10509
B          1.03323       -1.46613        0.41134
B         -0.44345       -1.48891       -0.56540
C         -1.28181        2.75094       -1.06974
H         -0.66324        3.65667       -1.03769
H         -1.64568        2.63616       -2.09745
H         -2.15510        2.92905       -0.43145
C         -1.27021       -2.75938       -1.06108
H         -0.63741       -3.65574       -1.06421
H         -2.12074       -2.96194       -0.39968
H         -1.66719       -2.63269       -2.07499
C         -1.38742       -1.67362        2.19815
H         -1.27503       -2.76129        2.10692
H         -1.08179       -1.40149        3.21575
H         -2.45248       -1.43938        2.10153
C         -1.39348        1.67162        2.19497
H         -1.04230        1.44956        3.21009
H         -1.33797        2.75956        2.06374
H         -2.44852        1.38423        2.14112
C          1.63885        0.01468        2.88483
H          1.27020       -0.80926        3.50798
H          2.72980       -0.08704        2.82833
H          1.42968        0.94753        3.42254
C          1.74897       -2.81010        0.90434
H          2.33205       -3.28204        0.10305
H          2.43734       -2.62317        1.73783
H          1.01930       -3.55286        1.25142
C          3.56450       -0.00638       -0.02816
H          3.95579       -0.99349        0.24685
H          3.99675        0.25382       -1.00200
H          3.95750        0.71268        0.70128
C          1.84221       -1.75834       -2.46927
H          1.87118       -1.21133       -3.41968
H          2.88033       -1.97807       -2.19280
H          1.34646       -2.71794       -2.66091
C          1.82598        1.76423       -2.47737
H          2.81620        2.10734       -2.15502
H          1.97134        1.16898       -3.38723
H          1.25064        2.65484       -2.75877
C          1.73029        2.82267        0.90093
H          1.10978        3.35258        1.63479
H          2.69744        2.62734        1.38047
H          1.91650        3.51926        0.07328
C         -3.56556       -0.00846       -0.61105
O         -3.96756       -0.00950        0.50238
O         -3.58989       -0.00839       -1.79598
46
TSB2.log	Energy:     245.6760000
B          0.14330        1.33461        0.38309
B          0.85062       -0.19247        0.99547
B         -0.94385       -0.00346        0.83579
B         -0.16051       -1.53604        0.35044
B          1.41039       -1.09279       -0.43089
B          1.58003        0.68654       -0.39679
B         -1.48860       -0.80546       -0.67908
B         -1.29030        0.98305       -0.61967
B         -0.70884        0.07328       -2.02802
B          0.00285       -1.35527       -1.37074
B          1.05497       -0.18327       -1.84054
C          0.22799        2.73851        1.14013
H          1.13224        2.80958        1.75545
H          0.24727        3.58110        0.43722
H         -0.63266        2.89046        1.80243
C          2.96643        1.46820       -0.36110
H          3.28143        1.70179        0.66371
H          3.75549        0.85882       -0.82032
H          2.92204        2.41742       -0.91111
C         -2.47497        2.04366       -0.73609
H         -3.44781        1.54632       -0.63932
H         -2.42692        2.81754        0.03932
H         -2.47209        2.54917       -1.71042
C         -2.93887       -1.47002       -0.82227
H         -3.26242       -1.52345       -1.86915
H         -2.95317       -2.49183       -0.42401
H         -3.70128       -0.90183       -0.27341
C         -0.35750       -2.89757        1.16595
H          0.49399       -3.57129        1.00633
H         -0.43865       -2.71891        2.24604
H         -1.26243       -3.43751        0.86000
C          2.69402       -1.83010       -1.02225
H          2.29476       -0.74685       -2.24603
C          1.55545       -0.23659        2.43196
H          1.24865        0.60113        3.07184
H          1.30615       -1.15966        2.96959
H          2.64913       -0.19905        2.34863
C         -1.90885        0.11969        2.11017
H         -2.87244        0.58113        1.85804
H         -2.12659       -0.86361        2.54458
H         -1.45812        0.72902        2.90429
C          0.25178        1.25224       -1.32540
H          0.40545        2.18901       -1.85163
H         -1.19888        0.25332       -3.09961
H          2.51415       -2.71337       -1.64305
H          3.65964       -1.87036       -0.50131
28
TSB5.log	Energy:     133.7120000
B          0.98042        1.08968       -0.55626
C         -0.45435        0.48686       -1.22407
B          2.05519       -0.24381       -0.07120
B          1.18276        0.63620        1.17662
H          1.72370        1.41073        1.91005
B          1.15330       -1.09449        1.24124
B          1.07999       -1.69707       -0.43674
H          1.59106       -2.73184       -0.74230
B          0.99667       -0.32686       -1.57925
H          1.46579       -0.31327       -2.67382
B         -0.34798       -0.14314        1.56265
H         -0.86977       -0.05975        2.63238
B         -0.35713        1.17084        0.38817
B         -1.38103       -0.20739        0.03056
B         -0.41643       -1.62528        0.57771
H         -0.94428       -2.62400        0.96551
B         -0.47348       -1.18021       -1.14516
H         -1.07799       -1.80797       -1.96105
H          1.71193       -1.70870        2.09905
H          3.24182       -0.20645       -0.17233
C          0.03260        2.62367       -0.01656
C         -2.97717       -0.14005        0.05390
H         -3.42028       -1.07339       -0.31453
H         -3.36350        0.02750        1.06732
H         -3.33882        0.67268       -0.58823
H          1.23103        2.31370       -0.85919
H         -0.47799        3.09823       -0.85429
H          0.55945        3.28733        0.67013
46
TSBB2.log	Energy:     244.7810000
B          0.89059        1.14700        0.06196
B          0.92846       -0.33799        0.97210
B         -0.58508        0.66331        0.94277
B         -0.67363       -1.08924        0.82063
B          0.63081       -1.73721       -0.19731
B          1.69138       -0.35519       -0.63043
B         -1.73255       -0.11306       -0.22802
B         -0.73687        1.33389       -0.67953
B         -0.94165        0.00705       -1.84740
B         -0.86698       -1.48651       -0.96682
B          0.58750       -0.86572       -1.86878
C          1.77617        2.43385        0.39040
H          2.80715        2.16196        0.64649
H          1.82662        3.12988       -0.45741
H          1.36800        2.99155        1.24150
C          3.26087       -0.29808       -0.91559
H          3.83071       -0.07746       -0.00494
H          3.62725       -1.25318       -1.30950
H          3.51592        0.47575       -1.65148
C         -1.32067        2.78319       -1.00555
H         -1.83281        2.81807       -1.97470
H         -2.04600        3.08767       -0.24139
H         -0.53347        3.54735       -1.01749
C         -3.31920        0.01859       -0.04953
H         -3.86841       -0.56495       -0.79926
H         -3.63104       -0.34724        0.93732
H         -3.66225        1.05827       -0.13510
C         -0.80307       -2.26681        1.80813
H          0.62289       -2.75951        0.70858
H         -0.18058       -2.28378        2.69986
H         -1.66566       -2.93366        1.87334
C          1.81165       -0.48540        2.29614
H          1.27718       -0.11123        3.17910
H          2.06459       -1.53518        2.49303
H          2.75655        0.07002        2.22868
C         -1.10016        1.46547        2.22719
H         -2.05672        1.96880        2.03529
H         -1.25668        0.78862        3.07592
H         -0.38966        2.23735        2.55008
C          0.59244        0.73020       -1.56103
H          1.01210        1.39629       -2.30781
H         -1.49579        0.22343       -2.87849
H          0.97680       -1.32833       -2.89411
C         -0.56515       -2.96568       -1.10681
H         -0.87004       -3.70282       -0.36774
H         -0.15391       -3.38125       -2.02570
52
TSBB.log	Energy:     282.5390000
B         -0.24224       -1.69499        0.19151
B          0.24246       -0.57494        1.40684
B          1.39100       -1.02383        0.10799
B          1.28292        0.64928        0.53887
B         -0.43467        1.01484        0.93326
B         -1.43099       -0.46818        0.67135
B          1.36281        0.17487       -1.22705
B          0.31462       -1.22715       -1.28581
B         -0.32095        0.32153       -1.84588
B          0.25367        1.49346       -0.64985
B         -1.39478        0.88070       -0.52948
C         -0.13119       -3.08398       -0.56109
H          0.64181       -3.77209       -0.21143
H         -1.06992       -3.51647       -0.92649
H          0.29181       -2.73959       -1.64478
C         -2.78100       -0.78160        1.45732
H         -2.80292       -1.80063        1.86302
H         -2.92397       -0.09138        2.29780
H         -3.64969       -0.67561        0.79576
C         -2.71913        1.69073       -0.85992
H         -3.29692        1.92355        0.04282
H         -2.49596        2.63993       -1.36133
H         -3.36194        1.09715       -1.52330
C         -2.26801       -1.51706       -1.77737
C          2.63735        0.48048       -2.14032
H          3.06916        1.46188       -1.90904
H          3.43113       -0.26228       -1.99302
H          2.38168        0.48262       -3.20704
C          0.51931        3.02079       -1.05557
H         -0.10272        3.33443       -1.90294
H          0.29267        3.69485       -0.21977
H          1.56489        3.19726       -1.33663
C          2.49491        1.40572        1.26246
H          2.33202        2.48950        1.31635
H          2.64478        1.04928        2.28975
H          3.44201        1.25061        0.72925
C         -0.81050        2.09308        2.05868
H          0.05643        2.70573        2.33596
H         -1.59974        2.77897        1.72693
H         -1.16616        1.61128        2.97849
C          0.45385       -0.94375        2.95017
H          1.15238       -1.77975        3.08303
H          0.85455       -0.09501        3.51803
H         -0.49148       -1.23138        3.42761
C          2.68055       -1.94837        0.35849
H          2.94230       -2.56200       -0.51322
H          3.56023       -1.33354        0.58817
H          2.53918       -2.63110        1.20646
C         -1.30122       -0.78067       -1.00731
H         -0.57668        0.56612       -2.98124
H         -3.13300       -1.95470       -1.29066
H         -2.29476       -1.37783       -2.85051
28
TSBC5.log	Energy:     131.6580000
B         -0.42957       -1.43981       -0.88867
C          0.44021       -0.00008       -1.23649
B         -1.95650       -0.89724       -0.17366
B         -0.63523       -1.46767        0.89510
H         -0.69943       -2.48844        1.51164
B         -1.57814        0.00009        1.32901
B         -1.95651        0.89720       -0.17378
H         -2.97681        1.50403       -0.30350
B         -1.21858       -0.00014       -1.53788
H         -1.64711       -0.00024       -2.65106
B          0.16538        0.00013        1.55585
H          0.72807        0.00022        2.61247
B          0.83144       -0.86346        0.16156
B          0.83145        0.86354        0.16142
B         -0.63525        1.46779        0.89488
H         -0.69957        2.48867        1.51122
B         -0.42958        1.43969       -0.88891
H         -0.26345        2.41462       -1.55800
H         -2.33563        0.00016        2.25249
H         -2.97682       -1.50407       -0.30329
C          2.44111       -0.96213        0.00597
C          2.44113        0.96214        0.00594
H          2.85947       -1.55149       -0.82092
H          3.10697       -1.04177        0.86870
H          3.10682        1.04171        0.86880
H          2.32202       -0.00012       -0.93719
H          2.85965        1.55144       -0.82091
H         -0.26341       -2.41486       -1.55758
52
TSBC.log	Energy:     281.6380000
B          1.14105       -1.16619        0.14279
B          0.16830       -0.46394        1.40697
B          1.40463        0.53318        0.55168
B         -0.20515        1.19884        0.82280
B         -1.41005       -0.11753        0.62202
B         -0.54082       -1.60486        0.19976
B          0.60930        1.48344       -0.76081
B          1.40102       -0.03162       -1.12677
B         -0.10699        0.30332       -1.90606
B         -1.14359        1.07688       -0.70315
B         -1.32730       -0.66935       -1.08649
C          2.42350       -2.06866       -0.26049
H          2.27890       -3.14057       -0.45160
H          1.99218       -1.93468       -1.53914
H          3.40844       -1.92195        0.19015
C         -1.00408       -3.09337        0.55202
H         -0.27422       -3.83643        0.20176
H         -1.12580       -3.23488        1.63364
H         -1.96321       -3.34179        0.08188
C         -2.57269       -1.27902       -1.88510
H         -3.07718       -0.51740       -2.49300
H         -2.24494       -2.07904       -2.56050
H         -3.32743       -1.70390       -1.21040
C          2.71674       -0.80145       -1.67503
C          1.13882        2.92947       -1.20723
H          0.53363        3.73297       -0.76837
H          2.17680        3.10509       -0.89360
H          1.10017        3.05731       -2.29683
C         -2.27443        2.14932       -1.08299
H         -3.15037        2.07570       -0.42559
H         -1.90050        3.17878       -1.00608
H         -2.63016        2.01363       -2.11274
C         -0.46316        2.40746        1.84628
H         -1.38360        2.95407        1.60501
H         -0.56013        2.05500        2.88137
H          0.35677        3.13763        1.83215
C         -2.78300       -0.13438        1.45128
H         -2.87084        0.73584        2.11471
H         -3.65961       -0.12451        0.79058
H         -2.86618       -1.02979        2.08145
C          0.28538       -0.82388        2.96452
H          1.28492       -0.60638        3.36420
H         -0.43111       -0.25074        3.56650
H          0.08415       -1.88602        3.15608
C          2.74257        1.04288        1.27896
H          2.54293        1.90136        1.93290
H          3.19518        0.26518        1.90958
H          3.51024        1.36525        0.56160
C          0.24458       -1.24954       -1.28248
H         -0.16350        0.48558       -3.08655
H          2.76252       -1.09517       -2.73222
H          3.72447       -0.54393       -1.33916
52
TSB.log	Energy:     284.0640000
B          1.67493        0.17050       -0.28155
B          0.80861       -0.89624        0.86831
B          0.62694        0.91254        0.96517
B         -0.78059       -0.15840        1.21721
B         -0.65790       -1.54914        0.06887
B          0.92732       -1.31735       -0.86670
B         -0.94438        1.35575        0.23404
B          0.62989        1.53929       -0.71832
B         -0.79829        0.84603       -1.44904
B         -1.70844       -0.16375       -0.24931
B         -0.59619       -0.77505       -1.53075
C          3.26537        0.34474       -0.30052
H          3.78409       -0.59582       -0.07402
H          3.60320        0.67705       -1.28970
H          3.60462        1.08455        0.43613
C          1.76995       -2.53825       -1.45021
H          2.70772       -2.67598       -0.89762
H          1.22366       -3.48867       -1.39902
H          2.03187       -2.35143       -2.49855
C         -1.44810        0.34758       -2.77755
C          1.23913        2.95535       -1.13533
H          0.57316        3.78825       -0.87593
H          2.19971        3.14544       -0.63965
H          1.41859        2.99021       -2.21671
C         -1.78740        2.62276        0.73006
H         -2.81783        2.61186        0.35156
H         -1.84853        2.65359        1.82529
H         -1.33309        3.56861        0.40953
C         -3.30065       -0.33221       -0.36327
H         -3.59814       -1.17745       -0.99874
H         -3.73336       -0.51935        0.62787
H         -3.79408        0.56650       -0.75668
C         -1.47297       -0.31482        2.65551
H         -1.83672       -1.33740        2.82074
H         -0.77878       -0.08401        3.47298
H         -2.33665        0.35361        2.76731
C         -1.23405       -3.00762        0.37927
H         -1.01036       -3.30954        1.41028
H         -2.32386       -3.05700        0.25888
H         -0.79801       -3.77117       -0.27702
C          1.59889       -1.73307        1.98311
H          1.94345       -2.70026        1.59508
H          2.48936       -1.19328        2.32996
H          0.98072       -1.93887        2.86638
C          1.25382        1.74468        2.18217
H          1.85485        2.59181        1.82748
H          0.47571        2.15400        2.83914
H          1.90837        1.12367        2.80718
C          0.79354        0.15935       -1.69750
H         -0.88280        0.43618       -3.70507
H         -2.52696        0.22846       -2.88303
H         -1.15465       -1.08544       -2.65815
52
TSCB.log	Energy:     283.8500000
B         -1.42062        0.98555       -0.37852
B         -0.06836        1.22674        0.74156
B         -1.17695       -0.23575        0.89247
B          0.51201       -0.37118        1.33283
B          1.55462        0.66996        0.13118
B          0.24905        1.43464       -0.96645
B         -0.26537       -1.64558        0.20247
B         -1.47975       -0.75930       -0.78860
B          0.20326       -1.04114       -1.42766
B          1.37176       -1.10786        0.07714
B          2.01071       -0.36085       -1.28775
C         -2.69666        1.93649       -0.48407
H         -2.45412        2.88819       -0.97471
H         -3.51224        1.47518       -1.05591
H         -3.09499        2.17960        0.50861
C          0.58665        2.80889       -1.70016
H         -0.32824        3.32535       -2.02331
H          1.14214        3.49896       -1.05374
H          1.19677        2.63884       -2.59603
C          1.25828       -1.18376       -2.53377
C         -2.79531       -1.47566       -1.33576
H         -3.24744       -2.11653       -0.56942
H         -3.55682       -0.75047       -1.64989
H         -2.57485       -2.11503       -2.20031
C         -0.57249       -3.14566        0.68870
H          0.05425       -3.42676        1.54545
H         -1.61821       -3.27607        0.99707
H         -0.37740       -3.87763       -0.10538
C          2.76243       -1.68977       -0.22807
H          3.56687       -1.39445        0.44295
H          2.91256       -2.66288       -0.69491
C          0.90896       -0.64529        2.85943
H          1.94079       -0.33807        3.07263
H          0.25647       -0.11237        3.56234
H          0.83547       -1.71436        3.09974
C          2.78804        1.47119        0.79628
H          2.63940        1.70727        1.85753
H          3.73388        0.91677        0.71830
H          2.94863        2.42361        0.27418
C         -0.10867        2.44929        1.78219
H         -1.14118        2.67055        2.08310
H          0.45930        2.25360        2.69915
H          0.29640        3.36852        1.33953
C         -2.29041       -0.40439        2.03403
H         -3.29709       -0.53621        1.61664
H         -2.08864       -1.26494        2.68391
H         -2.32698        0.48162        2.68150
C         -0.66469        0.34450       -1.68261
H         -1.00889        0.52144       -2.69848
H          1.09416       -0.66919       -3.48125
H          1.79968       -2.12073       -2.67637
H          3.24182       -0.74497       -1.22344
52
TSC.log	Energy:     282.5210000
B          1.18520       -1.24059       -0.06231
B          0.23122       -0.59845        1.26062
B          1.50307        0.43282        0.49978
B         -0.11624        1.12679        0.93936
B         -1.39259       -0.12745        0.65528
B         -0.58061       -1.58309        0.01530
B          0.65285        1.58008       -0.59408
B          1.45255        0.08470       -1.24028
B         -0.12799        0.48683       -1.65605
B         -1.16304        1.22906       -0.52162
B         -1.43156       -0.48030       -1.08286
C          2.22199       -2.44403       -0.00310
H          3.04296       -2.22255        0.68980
H          1.76044       -3.38214        0.32717
H          2.66611       -2.61735       -0.99206
C         -1.07660       -3.08618        0.20090
H         -0.69349       -3.52024        1.13235
H         -2.17083       -3.15126        0.23927
H         -0.73739       -3.72672       -0.62190
C         -2.68147       -0.94917       -1.95488
H         -3.61253       -0.53461       -1.54869
H         -2.60677       -0.62098       -2.99869
H         -2.78510       -2.04052       -1.95879
C          2.24001       -0.34084       -2.55961
C          1.22797        3.02849       -0.94107
H          0.45199        3.71110       -1.30974
H          1.67730        3.50011       -0.05830
H          2.00564        2.96753       -1.71349
C         -2.26764        2.35888       -0.75299
H         -3.05645        2.02502       -1.43864
H         -2.75460        2.63490        0.19033
H         -1.83617        3.27556       -1.17331
C         -0.28129        2.17973        2.13732
H         -1.24945        2.69481        2.10114
H         -0.21135        1.69220        3.11809
H          0.49493        2.95437        2.10427
C         -2.69881       -0.20977        1.57701
H         -2.64957        0.49054        2.42013
H         -3.61200        0.02604        1.01525
H         -2.83206       -1.21419        1.99915
C          0.41174       -1.15484        2.75497
H          1.18753       -0.60155        3.29846
H         -0.51358       -1.07252        3.33843
H          0.70778       -2.21151        2.76143
C          2.82813        0.84752        1.29532
H          3.40454        1.60831        0.75415
H          2.59697        1.26134        2.28506
H          3.49470       -0.01009        1.45184
C          0.17398       -1.01888       -1.42228
H          3.33563       -0.37136       -2.60452
H          1.81491        0.03733       -3.50053
H          1.02754       -1.39892       -2.36291
