 18
 Energy -13343.57573917
 C   -1.36435564   1.88606832  -1.11026214
 C   -0.80531249   2.52709374   1.15274645
 C   -1.74583630   2.41017894   0.12189109
 C    0.51755078   2.11530250   0.95933560
 C   -0.03235173   1.47096384  -1.31501681
 C    0.90844209   1.59047705  -0.27062374
 H   -2.08901959   1.79781829  -1.92313397
 H   -1.10876294   2.93943629   2.11863133
 H   -2.77746754   2.73113941   0.28456494
 H    1.24304778   2.20368556   1.77127319
 H    0.29322109   1.14913268  -2.30746022
 H    1.94004412   1.26983865  -0.43337587
 Br  -0.44269448  -1.19309188  -0.83961588
 Al   1.35754261  -4.62737933   0.48749039
 Br  -0.73245346  -3.64627449  -0.61697588
 Br   3.10169420  -4.23073867  -0.93258924
 Br   1.48036980  -3.73206999   2.58476075
 Br   0.25634172  -6.66158091   0.26836000
 18
 Energy -13343.57568425 Gradient 0.00002375
 C  -2.16677401   2.22044745  -1.27181051
 C  -1.35759528   2.70188817   0.95400267
 C  -2.41459166   2.61361501   0.04127794
 C  -0.04961787   2.39289474   0.56195734
 C  -0.85157671   1.90838527  -1.67583453
 C   0.20777518   1.99997282  -0.74849982
 H  -2.98369245   2.15593229  -1.99439270
 H  -1.55553193   3.00945795   1.98414866
 H  -3.43244824   2.85248298   0.35825987
 H   0.76749457   2.45729055   1.28412784
 H  -0.63946272   1.69408457  -2.72643679
 H   1.22516482   1.75846491  -1.06472880
Br  -1.16213707  -0.78377971  -1.39408911
Al   0.43402730  -4.05297400   0.40068967
Br  -1.31020889  -3.25799183  -1.29557574
Br   2.46816148  -3.41646082  -0.42305164
Br  -0.19181909  -3.20056917   2.42581221
Br  -0.29581444  -6.19551606  -0.11422598
 18
 Energy -13343.57566935 Gradient 0.00002794
 C  -2.13729875   2.21168125  -1.27282016
 C  -1.34525864   2.68652650   0.96038501
 C  -2.39485067   2.60341013   0.03901752
 C  -0.03486532   2.37376881   0.57859568
 C  -0.81967374   1.89577229  -1.66642997
 C   0.23221113   1.98223447  -0.73009299
 H  -2.94825676   2.15148254  -2.00245188
 H  -1.55058391   2.99289276   1.98944153
 H  -3.41454717   2.84503615   0.34786713
 H   0.77629395   2.43413214   1.30779155
 H  -0.59949055   1.68285706  -2.71563124
 H   1.25130278   1.73733732  -1.03813253
Br  -1.16423610  -0.78999958  -1.39401335
Al   0.42895482  -4.04807121   0.39754018
Br  -1.32171646  -3.26383979  -1.29798383
Br   2.45699038  -3.39629970  -0.43024130
Br  -0.20005098  -3.19358774   2.42114970
Br  -0.28294103  -6.19845064  -0.10680847
 18
 Energy -13343.57565579 Gradient 0.00004154
 C  -2.10565257   2.20550333  -1.27476637
 C  -1.33392792   2.67025578   0.96750052
 C  -2.37453272   2.59483616   0.03577998
 C  -0.02107182   2.35214776   0.59770748
 C  -0.78559980   1.88432533  -1.65615290
 C   0.25726204   1.96307299  -0.70910145
 H  -2.90946420   2.15177354  -2.01276689
 H  -1.54784932   2.97468576   1.99537938
 H  -3.39611647   2.84045175   0.33502720
 H   0.78296017   2.40650366   1.33522464
 H  -0.55597902   1.67345447  -2.70375891
 H   1.27810603   1.71362299  -1.00747616
Br  -1.16920444  -0.79588423  -1.39615627
Al   0.42484006  -4.04303630   0.39512859
Br  -1.33190973  -3.26924773  -1.29839436
Br   2.44625846  -3.37687645  -0.43800327
Br  -0.20699674  -3.18816576   2.41792405
Br  -0.27115588  -6.20000259  -0.10107077
 18
 Energy -13343.57565279 Gradient 0.00003844
 C  -2.07549469   2.20521632  -1.27645628
 C  -1.32364043   2.65930074   0.97466271
 C  -2.35489699   2.59464505   0.03193306
 C  -0.00964219   2.33031257   0.61822045
 C  -0.75422120   1.87319606  -1.64445021
 C   0.27920547   1.94122723  -0.68617392
 H  -2.87180799   2.16005633  -2.02312187
 H  -1.54575200   2.96374702   2.00079879
 H  -3.37742391   2.84874989   0.32072294
 H   0.78687202   2.37612357   1.36443116
 H  -0.51520535   1.66274662  -2.69005554
 H   1.30088076   1.68301874  -0.97409565
Br  -1.16887797  -0.80097894  -1.39546356
Al   0.41924061  -4.03973392   0.39142773
Br  -1.34132235  -3.27314150  -1.29809204
Br   2.43404914  -3.35917763  -0.44703594
Br  -0.21501350  -3.18411701   2.41349570
Br  -0.26051867  -6.20297458  -0.09670004
 18
 Energy -13343.5756068 Gradient 0.00004684
 C  -2.04792776   2.20629154  -1.27886230
 C  -1.31381211   2.64996640   0.98017227
 C  -2.33631314   2.59689702   0.02713753
 C   0.00024537   2.30799957   0.63652613
 C  -0.72639591   1.86124987  -1.63414779
 C   0.29815363   1.91756972  -0.66541110
 H  -2.83712052   2.17006685  -2.03351335
 H  -1.54307430   2.95542064   2.00443835
 H  -3.35900420   2.86094152   0.30617363
 H   0.78966051   2.34469001   1.39070198
 H  -0.47894253   1.65062668  -2.67774400
 H   1.31988976   1.64908842  -0.94346274
Br  -1.16325142  -0.80558759  -1.39090013
Al   0.41349214  -4.03733772   0.38778053
Br  -1.35532024  -3.27718191  -1.30148203
Br   2.42106744  -3.34074517  -0.45572416
Br  -0.22319979  -3.17956152   2.40849464
Br  -0.24759549  -6.20760038  -0.09079898
 18
 Energy -13343.5755728 Gradient 0.00005205
 C  -2.02081000   2.20785060  -1.28281796
 C  -1.30379646   2.64005886   0.98390442
 C  -2.31746748   2.60009689   0.02078605
 C   0.00955224   2.28327684   0.65282446
 C  -0.69983940   1.84806196  -1.62561556
 C   0.31577421   1.89125751  -0.64666334
 H  -2.80287964   2.18183849  -2.04527851
 H  -1.53962150   2.94678270   2.00629527
 H  -3.33972399   2.87571631   0.29013260
 H   0.79180187   2.30948331   1.41487642
 H  -0.44437595   1.63681903  -2.66714801
 H   1.33695438   1.61096284  -0.91496160
Br  -1.16202998  -0.81192786  -1.38958231
Al   0.40868147  -4.03423012   0.38501997
Br  -1.36689168  -3.28215659  -1.30233743
Br   2.40844338  -3.32033054  -0.46387076
Br  -0.23146719  -3.17452447   2.40417611
Br  -0.23276786  -6.21136708  -0.08395563
 18
 Energy -13343.57553618 Gradient 0.00006072
 C  -1.99495179   2.21346648  -1.28704238
 C  -1.29356173   2.63276958   0.98706527
 C  -2.29837233   2.60868041   0.01395285
 C   0.01746816   2.25696561   0.66857860
 C  -0.67606776   1.83472964  -1.61741234
 C   0.33057921   1.86194109  -0.62839646
 H  -2.76983940   2.19963759  -2.05710285
 H  -1.53492451   2.94189342   2.00744683
 H  -3.31898609   2.89903391   0.27377729
 H   0.79249861   2.27061221   1.43825537
 H  -0.41329068   1.62205670  -2.65683576
 H   1.35000163   1.56667941  -0.88707201
Br  -1.15921252  -0.81855066  -1.38746430
Al   0.40388223  -4.03045934   0.38188181
Br  -1.37864973  -3.28805357  -1.30305282
Br   2.39568103  -3.29985540  -0.47224077
Br  -0.24043355  -3.17004886   2.39976898
Br  -0.21723808  -6.21486444  -0.07716918
 18
 Energy -13343.57549531 Gradient 0.00006993
 C  -1.97063613   2.22467075  -1.29134344
 C  -1.28276984   2.62740815   0.99003608
 C  -2.27877634   2.62343042   0.00715710
 C   0.02386674   2.22797979   0.68359662
 C  -0.65583794   1.82228744  -1.60997611
 C   0.34190421   1.82950679  -0.61128893
 H  -2.73840027   2.22609548  -2.06863926
 H  -1.52827017   2.93932011   2.00857969
 H  -3.29620034   2.93240432   0.25798563
 H   0.79166451   2.22562011   1.46058413
 H  -0.38683589   1.60769214  -2.64740138
 H   1.35812940   1.51586908  -0.86080950
Br  -1.15457484  -0.82460455  -1.38425579
Al   0.39871027  -4.02784543   0.37849128
Br  -1.39048586  -3.29288283  -1.30389914
Br   2.38267036  -3.28037637  -0.48043386
Br  -0.24964823  -3.16637771   2.39503198
Br  -0.20134355  -6.21924954  -0.07062857
 18
 Energy -13343.5754433 Gradient 0.00008250
 C  -1.94852229   2.24157751  -1.29585642
 C  -1.27176498   2.62340726   0.99270108
 C  -2.25904063   2.64376951   0.00061073
 C   0.02810252   2.19611309   0.69717121
 C  -0.64009509   1.81141995  -1.60397807
 C   0.34885555   1.79421098  -0.59628445
 H  -2.70923397   2.26152621  -2.07979392
 H  -1.51972189   2.93816322   2.00978259
 H  -3.27150025   2.97460851   0.24347719
 H   0.78871423   2.17444329   1.48084997
 H  -0.36622148   1.59501156  -2.63977351
 H   1.36003864   1.45885861  -0.83785374
Br  -1.14858704  -0.83059306  -1.38017926
Al   0.39361642  -4.02588553   0.37526550
Br  -1.40203394  -3.29722250  -1.30484196
Br   2.36959229  -3.26187870  -0.48871056
Br  -0.25888073  -3.16307074   2.39029129
Br  -0.18490989  -6.22401936  -0.06396026
 18
 Energy -13343.57538433 Gradient 0.00009692
 C  -1.92863610   2.26431194  -1.30101391
 C  -1.26110678   2.62025479   0.99481198
 C  -2.23938443   2.66945755  -0.00604493
 C   0.02951584   2.16144959   0.70895553
 C  -0.62897952   1.80258133  -1.59998534
 C   0.35097385   1.75679776  -0.58395811
 H  -2.68213513   2.30617496  -2.09104863
 H  -1.51005669   2.93738325   2.01091306
 H  -3.24500863   3.02535399   0.22987223
 H   0.78271784   2.11687968   1.49877711
 H  -0.35159776   1.58408850  -2.63440796
 H   1.35551221   1.39739409  -0.81858514
Br  -1.14106016  -0.83635686  -1.37478804
Al   0.38872566  -4.02445639   0.37203111
Br  -1.41323177  -3.30119326  -1.30568071
Br   2.35710509  -3.24501384  -0.49678820
Br  -0.26809147  -3.15991457   2.38530400
Br  -0.16858952  -6.22892310  -0.05738052
 18
 Energy -13343.57531374 Gradient 0.00011471
 C  -1.91101300   2.29231564  -1.30678067
 C  -1.25088048   2.61630653   0.99650559
 C  -2.21986248   2.69846549  -0.01223833
 C   0.02812967   2.12394217   0.71819933
 C  -0.62241403   1.79693386  -1.59877045
 C   0.34833519   1.71845919  -0.57546394
 H  -2.65714884   2.35936638  -2.10202542
 H  -1.49932607   2.93444874   2.01241427
 H  -3.21681639   3.08120325   0.21843249
 H   0.77388279   2.05350663   1.51313536
 H  -0.34309341   1.57685509  -2.63231529
 H   1.34470839   1.33386920  -0.80490689
Br  -1.13212445  -0.84164635  -1.36773163
Al   0.38400821  -4.02361333   0.36871271
Br  -1.42389855  -3.30436674  -1.30652758
Br   2.34530109  -3.23002314  -0.50451236
Br  -0.27720899  -3.15695224   2.38003748
Br  -0.15258745  -6.23402056  -0.05090335
 18
 Energy -13343.57522877 Gradient 0.00013412
 C  -1.89481436   2.32489809  -1.31327787
 C  -1.24162436   2.61058306   0.99776014
 C  -2.20052706   2.72946125  -0.01809275
 C   0.02377363   2.08388806   0.72488819
 C  -0.61924452   1.79493783  -1.60050979
 C   0.34165178   1.68025121  -0.57085844
 H  -2.63312781   2.42016036  -2.11293922
 H  -1.48873644   2.92762138   2.01433059
 H  -3.18731652   3.13990034   0.20888448
 H   0.76157719   1.98455246   1.52410639
 H  -0.33925639   1.57363393  -2.63357484
 H   1.32886591   1.27083574  -0.79678164
Br  -1.12237601  -0.84658659  -1.35900959
Al   0.37972646  -4.02355586   0.36567918
Br  -1.43362229  -3.30677414  -1.30738611
Br   2.33422989  -3.21667485  -0.51181328
Br  -0.28607846  -3.15413529   2.37469784
Br  -0.13732970  -6.23916332  -0.04484568
 18
 Energy -13343.57513191 Gradient 0.00015329
 C  -1.87939750   2.36072608  -1.32052233
 C  -1.23365623   2.60234235   0.99855745
 C  -2.18143489   2.76064548  -0.02353300
 C   0.01673690   2.04194327   0.72908987
 C  -0.61834838   1.79667326  -1.60475890
 C   0.33198056   1.64317553  -0.56995446
 H  -2.60906816   2.48638442  -2.12388763
 H  -1.47903109   2.91613754   2.01653490
 H  -3.15681938   3.19865863   0.20129285
 H   0.74609037   1.91228572   1.53164375
 H  -0.33873602   1.57505269  -2.63780097
 H   1.30960818   1.21043632  -0.79410784
Br  -1.11208821  -0.85137649  -1.34864336
Al   0.37592875  -4.02378018   0.36280276
Br  -1.44283335  -3.30867988  -1.30833940
Br   2.32405841  -3.20452954  -0.51854544
Br  -0.29479427  -3.15154001   2.36929603
Br  -0.12265895  -6.24408987  -0.03933175
 18
 Energy -13343.57501664 Gradient 0.00016940
 C  -1.86413698   2.39889517  -1.32789846
 C  -1.22659498   2.59185996   0.99906127
 C  -2.16228045   2.79128683  -0.02814097
 C   0.00776330   1.99915661   0.73076300
 C  -0.61872320   1.80209231  -1.61145606
 C   0.32016771   1.60804522  -0.57266337
 H  -2.58465847   2.55645224  -2.13385579
 H  -1.47012077   2.90005231   2.01918089
 H  -3.12552938   3.25577814   0.19615504
 H   0.72820125   1.83763869   1.53559987
 H  -0.34028525   1.58089877  -2.64487269
 H   1.28832044   1.15446676  -0.79656609
Br  -1.10168901  -0.85622933  -1.33689286
Al   0.37239809  -4.02415852   0.35989064
Br  -1.45159320  -3.31044843  -1.30951241
Br   2.31448644  -3.19325503  -0.52487214
Br  -0.30325192  -3.14901986   2.36380423
Br  -0.10845559  -6.24880465  -0.03394333
 18
 Energy -13343.57488869 Gradient 0.00018501
 C  -1.84770469   2.43898684  -1.33531037
 C  -1.22050438   2.57938322   0.99943470
 C  -2.14257692   2.82118245  -0.03201622
 C  -0.00282854   1.95589494   0.73080412
 C  -0.61875482   1.81102979  -1.61954654
 C   0.30742778   1.57501787  -0.57770275
 H  -2.55800697   2.62945930  -2.14323486
 H  -1.46255203   2.88022796   2.02205563
 H  -3.09301443   3.31123298   0.19277341
 H   0.70797465   1.76225662   1.53704149
 H  -0.34207397   1.59085043  -2.65355282
 H   1.26649473   1.10299711  -0.80257388
Br  -1.09176494  -0.86142611  -1.32405294
Al   0.36913601  -4.02468187   0.35698463
Br  -1.45992207  -3.31232145  -1.31122337
Br   2.30539071  -3.18286155  -0.53107715
Br  -0.31146380  -3.14609067   2.35816794
Br  -0.09478850  -6.25327668  -0.02829223
 18
 Energy -13343.57474732 Gradient 0.00019100
 C  -1.82923140   2.48018078  -1.34229384
 C  -1.21523839   2.56522010   0.99991786
 C  -2.12198678   2.85007464  -0.03506211
 C  -0.01459898   1.91252969   0.72985073
 C  -0.61728683   1.82265689  -1.62820664
 C   0.29460647   1.54392956  -0.58408292
 H  -2.52830582   2.70385999  -2.15145552
 H  -1.45666161   2.85680105   2.02533398
 H  -3.05941752   3.36413853   0.19097924
 H   0.68541126   1.68596456   1.53698975
 H  -0.34221819   1.60425760  -2.66295560
 H   1.24523996   1.05587680  -0.81040197
Br  -1.08272414  -0.86706064  -1.31078126
Al   0.36598332  -4.02495246   0.35428106
Br  -1.46810051  -3.31457040  -1.31321915
Br   2.29663702  -3.17277072  -0.53716696
Br  -0.31952796  -3.14301155   2.35252233
Br  -0.08130178  -6.25734270  -0.02271814
 18
 Energy -13343.57460181 Gradient 0.00019612
 C  -1.80813607   2.52157942  -1.34851404
 C  -1.21059021   2.54956582   1.00067276
 C  -2.10029420   2.87726858  -0.03708277
 C  -0.02703622   1.86942146   0.72842817
 C  -0.61343999   1.83642180  -1.63671308
 C   0.28247087   1.51463572  -0.59094118
 H  -2.49478330   2.77857219  -2.15840993
 H  -1.45233499   2.83080319   2.02884761
 H  -3.02457535   3.41404551   0.19061038
 H   0.66123484   1.61043518   1.53584758
 H  -0.33961744   1.62074240  -2.67228641
 H   1.22535535   1.01254685  -0.81897994
Br  -1.07477878  -0.87315944  -1.29754117
Al   0.36282625  -4.02496789   0.35142730
Br  -1.47646543  -3.31745837  -1.31554182
Br   2.28790288  -3.16248294  -0.54308634
Br  -0.32744731  -3.13963303   2.34690949
Br  -0.06760964  -6.26110244  -0.01714483
 18
 Energy -13343.57444691 Gradient 0.00020031
 C  -1.78389547   2.56251601  -1.35372857
 C  -1.20619482   2.53305840   1.00171198
 C  -2.07712076   2.90312631  -0.03825089
 C  -0.03958830   1.82696868   0.72701238
 C  -0.60639948   1.85149760  -1.64440491
 C   0.27189374   1.48719699  -0.59754476
 H  -2.45719674   2.85184487  -2.16389222
 H  -1.44957258   2.80269188   2.03256750
 H  -2.98850224   3.46085811   0.19128099
 H   0.63546353   1.53538933   1.53453552
 H  -0.33306875   1.63932248  -2.68078795
 H   1.20776018   0.97280993  -0.82705139
Br  -1.06832891  -0.87989690  -1.28454478
Al   0.35950107  -4.02456315   0.34839492
Br  -1.48501730  -3.32105781  -1.31827217
Br   2.27918750  -3.15193531  -0.54891292
Br  -0.33550345  -3.13588068   2.34107651
Br  -0.05353660  -6.26446126  -0.01127074
 18
 Energy -13343.57428652 Gradient 0.00019912
 C  -1.75637850   2.60208946  -1.35784949
 C  -1.20166986   2.51639152   1.00295107
 C  -2.05233820   2.92732013  -0.03864615
 C  -0.05178696   1.78570639   0.72587640
 C  -0.59586251   1.86697879  -1.65084148
 C   0.26325325   1.46120182  -0.60326499
 H  -2.41518336   2.92289709  -2.16806108
 H  -1.44774406   2.77443204   2.03607589
 H  -2.95090968   3.50494508   0.19250576
 H   0.60895712   1.46265061   1.53321976
 H  -0.32210631   1.65912497  -2.68794599
 H   1.19253584   0.93542083  -0.83377936
Br  -1.06352430  -0.88718803  -1.27200932
Al   0.35601204  -4.02354807   0.34506959
Br  -1.49391562  -3.32547960  -1.32131363
Br   2.27047653  -3.14097083  -0.55467541
Br  -0.34384459  -3.13187900   2.33516960
Br  -0.03891919  -6.26730650  -0.00525206
 18
 Energy -13343.57413087 Gradient 0.00020401
 C  -1.72545025   2.63972310  -1.36076800
 C  -1.19666335   2.50001846   1.00452996
 C  -2.02564351   2.95020249  -0.03843347
 C  -0.06327200   1.74584776   0.72548461
 C  -0.58181045   1.88151922  -1.65555329
 C   0.25672383   1.43607859  -0.60745223
 H  -2.36895308   2.99040613  -2.17089434
 H  -1.44660070   2.74649249   2.03950259
 H  -2.91166045   3.54648054   0.19396147
 H   0.58183736   1.39209714   1.53269293
 H  -0.30654820   1.67823067  -2.69313470
 H   1.17979652   0.89952317  -0.83815722
Br  -1.06067905  -0.89497749  -1.26027697
Al   0.35254068  -4.02212892   0.34186394
Br  -1.50310832  -3.33083868  -1.32460987
Br   2.26158616  -3.12931720  -0.56043884
Br  -0.35219232  -3.12747515   2.32930705
Br  -0.02386339  -6.26966322   0.00072062
 18
 Energy -13343.57397332 Gradient 0.00020615
 C  -1.69133223   2.67495469  -1.36246449
 C  -1.19126130   2.48413292   1.00648633
 C  -1.99732878   2.97138155  -0.03763790
 C  -0.07402240   1.70740710   0.72622030
 C  -0.56426225   1.89477449  -1.65826991
 C   0.25241383   1.41161497  -0.60961095
 H  -2.31845953   3.05415995  -2.17257498
 H  -1.44617095   2.71983641   2.04271178
 H  -2.87094158   3.58554772   0.19538166
 H   0.55440437   1.32461086   1.53329732
 H  -0.28624434   1.69649613  -2.69606933
 H   1.16925213   0.86413149  -0.83966878
Br  -1.05983570  -0.90322526  -1.24968417
Al   0.34884847  -4.02014091   0.33831153
Br  -1.51250684  -3.33700069  -1.32803438
Br   2.25255673  -3.11697053  -0.56612383
Br  -0.36042942  -3.12274716   2.32332735
Br  -0.00841692  -6.27151255   0.00691195
 18
 Energy -13343.57380823 Gradient 0.00021373
 C  -1.65442246   2.70767028  -1.36300409
 C  -1.18566236   2.46855000   1.00884180
 C  -1.96766491   2.99107581  -0.03639790
 C  -0.08413724   1.67043840   0.72799759
 C  -0.54355224   1.90648383  -1.65908410
 C   0.25017505   1.38784141  -0.60986325
 H  -2.26440011   3.11369529  -2.17321242
 H  -1.44665574   2.69374729   2.04585304
 H  -2.82920351   3.62208685   0.19666577
 H   0.52649664   1.25972425   1.53510814
 H  -0.26156387   1.71326116  -2.69676059
 H   1.16092259   0.82960464  -0.83837217
Br  -1.06073027  -0.91167483  -1.24028623
Al   0.34518524  -4.01774015   0.33471570
Br  -1.52194654  -3.34373868  -1.33150125
Br   2.24347418  -3.10413049  -0.57183129
Br  -0.36888837  -3.11779217   2.31737149
Br   0.00739582  -6.27292366   0.01322112
 18
 Energy -13343.57363962 Gradient 0.00021757
 C  -1.61555183   2.73787505  -1.36230121
 C  -1.17973518   2.45328152   1.01153513
 C  -1.93708467   3.00887829  -0.03446802
 C  -0.09357799   1.63474824   0.73052084
 C  -0.52048187   1.91678824  -1.65826011
 C   0.24959056   1.36455692  -0.60860293
 H  -2.20770615   3.16947081  -2.17250608
 H  -1.44749864   2.66884033   2.04882356
 H  -2.78672245   3.65601802   0.19831022
 H   0.49877562   1.19783959   1.53747566
 H  -0.23354955   1.72897413  -2.69557140
 H   1.15409805   0.79534821  -0.83504280
Br  -1.06316502  -0.92029275  -1.23199213
Al   0.34174099  -4.01489949   0.33138736
Br  -1.53135561  -3.35088328  -1.33505644
Br   2.23437418  -3.09101487  -0.57765716
Br  -0.37757155  -3.11269928   2.31152620
Br   0.02358257  -6.27371884   0.01962488
 18
 Energy -13343.57347198 Gradient 0.00022557
 C  -1.57511570   2.76570291  -1.36041366
 C  -1.17321692   2.43841500   1.01456487
 C  -1.90548548   3.02541316  -0.03188930
 C  -0.10222358   1.60033538   0.73358719
 C  -0.49560567   1.92557588  -1.65603377
 C   0.25041762   1.34178050  -0.60621083
 H  -2.14922479   3.22131192  -2.17048394
 H  -1.44823371   2.64477543   2.05179883
 H  -2.74341651   3.68779928   0.20044634
 H   0.47132574   1.13844470   1.54030650
 H  -0.20311786   1.74308053  -2.69275187
 H   1.14867829   0.76175654  -0.83016353
Br  -1.06707376  -0.92911329  -1.22468323
Al   0.33822807  -4.01183041   0.32792127
Br  -1.54075183  -3.35858079  -1.33863231
Br   2.22533990  -3.07753146  -0.58343328
Br  -0.38614290  -3.10748693   2.30567109
Br   0.03989662  -6.27382444   0.02617423
 18
 Energy -13343.57329596 Gradient 0.00023005
 C  -1.53322412   2.79156055  -1.35748909
 C  -1.16619619   2.42403502   1.01775762
 C  -1.87309792   3.04057749  -0.02873797
 C  -0.11019368   1.56711267   0.73701841
 C  -0.46917495   1.93296015  -1.65257787
 C   0.25236252   1.31917788  -0.60282723
 H  -2.08870531   3.27020921  -2.16724591
 H  -1.44878665   2.62210307   2.05454036
 H  -2.69930950   3.71780472   0.20299848
 H   0.44431567   1.08174236   1.54324857
 H  -0.17053956   1.75578478  -2.68846946
 H   1.14392624   0.72780876  -0.82410647
Br  -1.07233274  -0.93808599  -1.21824304
Al   0.33502660  -4.00836411   0.32465257
Br  -1.54992110  -3.36663355  -1.34220890
Br   2.21631838  -3.06379413  -0.58913698
Br  -0.39461105  -3.10204741   2.29996427
Br   0.05610471  -6.27356894   0.03258904
 18
 Energy -13343.57307141 Gradient 0.00023946
 C  -1.49021991   2.81546336  -1.35386728
 C  -1.15978421   2.40947913   1.02101700
 C  -1.84056602   3.05434472  -0.02541829
 C  -0.11839872   1.53461268   0.74101696
 C  -0.44132481   1.93928134  -1.64806841
 C   0.25502678   1.29708423  -0.59838034
 H  -2.02671130   3.31595022  -2.16326271
 H  -1.45092626   2.59928659   2.05695614
 H  -2.65545683   3.74543628   0.20543162
 H   0.41616245   1.02642994   1.54673714
 H  -0.13579385   1.76717304  -2.68280222
 H   1.13971903   0.69275910  -0.81734221
Br  -1.07815486  -0.94718561  -1.21244248
Al   0.33169307  -4.00465821   0.32147038
Br  -1.55903553  -3.37484815  -1.34594103
Br   2.20726005  -3.05008355  -0.59471911
Br  -0.40304811  -3.09630154   2.29441322
Br   0.07246845  -6.27278977   0.03890467
 18
 Energy -13343.57292327 Gradient 0.00024662
 C  -1.44641420   2.83739823  -1.34921965
 C  -1.15303456   2.39516865   1.02442513
 C  -1.80752057   3.06687210  -0.02144132
 C  -0.12631447   1.50293191   0.74491101
 C  -0.41253221   1.94420532  -1.64250284
 C   0.25842962   1.27481498  -0.59344442
 H  -1.96332906   3.35898800  -2.15801864
 H  -1.45257186   2.57762058   2.05927127
 H  -2.61076983   3.77182295   0.20852600
 H   0.38855349   0.97348832   1.54977561
 H  -0.09943310   1.77764984  -2.67590199
 H   1.13655881   0.66125652  -0.80826641
Br  -1.08469189  -0.95624888  -1.20733978
Al   0.32827780  -4.00069088   0.31824842
Br  -1.56799351  -3.38328263  -1.34972227
Br   2.19832090  -3.03621138  -0.60015530
Br  -0.41157302  -3.09043523   2.28885966
Br   0.08876088  -6.27166170   0.04527709
 18
 Energy -13343.57273036 Gradient 0.00025307
 C  -1.40201379   2.85767109  -1.34346966
 C  -1.14503228   2.38119180   1.02815702
 C  -1.77345312   3.07858625  -0.01657021
 C  -0.13305296   1.47212859   0.74883288
 C  -0.38323321   1.94806010  -1.63630429
 C   0.26259748   1.25295730  -0.58833326
 H  -1.89985802   3.39907371  -2.15124080
 H  -1.45288776   2.55660369   2.06175425
 H  -2.56516277   3.79662911   0.21285639
 H   0.36189115   0.92202111   1.55243103
 H  -0.06292958   1.78641224  -2.66828425
 H   1.13354903   0.62817650  -0.80021738
Br  -1.09229021  -0.96529519  -1.20289006
Al   0.32509072  -3.99640197   0.31511646
Br  -1.57678945  -3.39195613  -1.35363419
Br   2.18954976  -3.02219122  -0.60550124
Br  -0.42016350  -3.08464229   2.28339849
Br   0.10491766  -6.27013111   0.05171113
 18
 Energy -13343.57253704 Gradient 0.00025923
 C  -1.35717420   2.87642832  -1.33688934
 C  -1.13648450   2.36779183   1.03197378
 C  -1.73904262   3.08932802  -0.01115945
 C  -0.13923462   1.44240554   0.75271771
 C  -0.35350915   1.95081244  -1.62941134
 C   0.26722966   1.23125362  -0.58289784
 H  -1.83553513   3.43701560  -2.14335307
 H  -1.45243257   2.53700750   2.06414886
 H  -2.51901696   3.82029721   0.21785132
 H   0.33603177   0.87298208   1.55474554
 H  -0.02579874   1.79402561  -2.65982041
 H   1.13056677   0.59493782  -0.79183391
Br  -1.10085839  -0.97453388  -1.19935998
Al   0.32226603  -3.99196679   0.31226158
Br  -1.58538026  -3.40090827  -1.35728070
Br   2.18097851  -3.00810067  -0.61088401
Br  -0.42884576  -3.07881897   2.27805702
Br   0.12113930  -6.26800043   0.05821907
 18
 Energy -13343.57233175 Gradient 0.00026584
 C  -1.31190995   2.89368322  -1.32948188
 C  -1.12758619   2.35469465   1.03604181
 C  -1.70419844   3.09930858  -0.00519061
 C  -0.14503768   1.41355221   0.75679726
 C  -0.32328745   1.95262673  -1.62173833
 C   0.27226603   1.20988971  -0.57696990
 H  -1.77106120   3.47225060  -2.13442861
 H  -1.45180120   2.51804878   2.06657197
 H  -2.47261415   3.84251188   0.22344302
 H   0.31040426   0.82562970   1.55706186
 H   0.01185771   1.80018528  -2.65041807
 H   1.12769534   0.56205054  -0.78318941
Br  -1.11009306  -0.98375557  -1.19656233
Al   0.31960848  -3.98724799   0.30945675
Br  -1.59371374  -3.41001826  -1.36073560
Br   2.17245036  -2.99405857  -0.61635220
Br  -0.43762708  -3.07291407   2.27270319
Br   0.13737183  -6.26556461   0.06483993
 18
 Energy -13343.57212313 Gradient 0.00027358
 C  -1.26628911   2.90955370  -1.32118099
 C  -1.11820890   2.34203924   1.04042794
 C  -1.66904469   3.10842788   0.00143617
 C  -0.15036917   1.38558660   0.76111275
 C  -0.29270384   1.95352336  -1.61329642
 C   0.27772290   1.18868360  -0.57057746
 H  -1.70584258   3.50554300  -2.12436510
 H  -1.45048602   2.50020684   2.06919721
 H  -2.42569626   3.86373856   0.22982896
 H   0.28539475   0.78024825   1.55936397
 H   0.05007376   1.80534917  -2.64009648
 H   1.12496460   0.52926795  -0.77412176
Br  -1.11972266  -0.99281230  -1.19404081
Al   0.31675805  -3.98257260   0.30663756
Br  -1.60191916  -3.41910602  -1.36443778
Br   2.16379983  -2.98017061  -0.62186346
Br  -0.44639312  -3.06700394   2.26732675
Br   0.15363771  -6.26288779   0.07150289
 18
 Energy -13343.57190926 Gradient 0.00028031
 C  -1.22044119   2.92420967  -1.31210744
 C  -1.10840221   2.32975579   1.04506039
 C  -1.63344913   3.11700634   0.00865822
 C  -0.15535410   1.35846151   0.76550291
 C  -0.26199357   1.95355847  -1.60424376
 C   0.28337087   1.16775843  -0.56388000
 H  -1.64071206   3.53659396  -2.11330636
 H  -1.44873040   2.48309554   2.07191090
 H  -2.37837363   3.88388230   0.23692807
 H   0.26077855   0.73651579   1.56152555
 H   0.08827023   1.80916081  -2.62906471
 H   1.12221803   0.49687867  -0.76490720
Br  -1.12982600  -1.00184903  -1.19197704
Al   0.31399854  -3.97787317   0.30390409
Br  -1.60994937  -3.42814865  -1.36819288
Br   2.15521582  -2.96636297  -0.62747192
Br  -0.45525495  -3.06113423   2.26196020
Br   0.16991785  -6.25996777   0.07830645
 18
 Energy -13343.5716856 Gradient 0.00028855
 C  -1.17449935   2.93751276  -1.30230109
 C  -1.09800506   2.31805417   1.04997477
 C  -1.59759137   3.12490390   0.01643223
 C  -0.15985438   1.33221497   0.77005468
 C  -0.23118364   1.95268514  -1.59459483
 C   0.28928295   1.14697957  -0.55685651
 H  -1.57529930   3.56563108  -2.10129873
 H  -1.44602703   2.46729545   2.07484149
 H  -2.33057140   3.90327302   0.24471378
 H   0.23682421   0.69459696   1.56364688
 H   0.12657873   1.81182288  -2.61732096
 H   1.11936867   0.46453822  -0.75553713
Br  -1.14032810  -1.01078301  -1.19036614
Al   0.31139254  -3.97312053   0.30121798
Br  -1.61783300  -3.43723861  -1.37202273
Br   2.14656489  -2.95265420  -0.63316656
Br  -0.46415992  -3.05525105   2.25661622
Br   0.18620466  -6.25682417   0.08524773
 18
 Energy -13343.57146237 Gradient 0.00029704
 C  -1.12849013   2.94957529  -1.29186753
 C  -1.08707858   2.30676662   1.05518017
 C  -1.56134035   3.13225004   0.02472248
 C  -0.16381833   1.30693637   0.77479388
 C  -0.20037415   1.95092873  -1.58442941
 C   0.29541487   1.12649297  -0.54950210
 H  -1.51019138   3.59243470  -2.08852509
 H  -1.44269295   2.45231655   2.07796398
 H  -2.28244413   3.92155479   0.25311164
 H   0.21358190   0.65454175   1.56583367
 H   0.16463527   1.81302372  -2.60501038
 H   1.11653803   0.43260972  -0.74598179
Br  -1.15127307  -1.01970976  -1.18921013
Al   0.30851659  -3.96822216   0.29842992
Br  -1.62532457  -3.44633056  -1.37574602
Br   2.13785376  -2.93909879  -0.63889404
Br  -0.47319487  -3.04939761   2.25119575
Br   0.20254490  -6.25337860   0.09227560
 18
 Energy -13343.57123474 Gradient 0.00030373
 C  -1.08278341   2.96041313  -1.28083423
 C  -1.07547468   2.29624147   1.06069040
 C  -1.52498476   3.13907633   0.03352716
 C  -0.16725191   1.28265479   0.77967979
 C  -0.16990259   1.94831436  -1.57383759
 C   0.30162021   1.10623788  -0.54194908
 H  -1.44536201   3.61731593  -2.07495960
 H  -1.43813232   2.43886352   2.08140989
 H  -2.23402059   3.93922982   0.26220066
 H   0.19131658   0.61647876   1.56802355
 H   0.20218343   1.81306784  -2.59222175
 H   1.11338437   0.40080800  -0.73650172
Br  -1.16246550  -1.02853830  -1.18842500
Al   0.30580278  -3.96337905   0.29573044
Br  -1.63286105  -3.45523230  -1.37969373
Br   2.12917141  -2.92569524  -0.64469403
Br  -0.48251241  -3.04364611   2.24576158
Br   0.21924472  -6.24985513   0.09959328
 18
 Energy -13343.57099069 Gradient 0.00031129
 C  -1.03725658   2.97019096  -1.26926862
 C  -1.06331335   2.28635761   1.06654899
 C  -1.48835820   3.14555653   0.04282232
 C  -0.17015623   1.25948366   0.78480137
 C  -0.13963084   1.94504552  -1.56280618
 C   0.30794397   1.08643547  -0.53406624
 H  -1.38132462   3.64006449  -2.06083371
 H  -1.43281335   2.42646201   2.08515775
 H  -2.18538766   3.95604737   0.27184645
 H   0.16968921   0.58027079   1.57039423
 H   0.23916331   1.81183058  -2.57899697
 H   1.11019720   0.36967122  -0.72685297
Br  -1.17392510  -1.03718437  -1.18806353
Al   0.30340965  -3.95874629   0.29345211
Br  -1.64043352  -3.46410031  -1.38381043
Br   2.12047355  -2.91244096  -0.65069812
Br  -0.49205660  -3.03805414   2.24031588
Br   0.23621076  -6.24618006   0.10718579
 18
 Energy -13343.57073488 Gradient 0.00031999
 C  -0.99190574   2.97890473  -1.25727100
 C  -1.05024304   2.27750761   1.07281528
 C  -1.45124114   3.15194918   0.05253819
 C  -0.17245876   1.23749140   0.79030909
 C  -0.10984056   1.94075293  -1.55137160
 C   0.31427760   1.06686327  -0.52578571
 H  -1.31729596   3.66112573  -2.04617976
 H  -1.42597424   2.41597584   2.08937511
 H  -2.13582751   3.97289632   0.28204579
 H   0.14916011   0.54630261   1.57313753
 H   0.27529177   1.80895954  -2.56537554
 H   1.10652166   0.33856238  -0.71702568
Br  -1.18573671  -1.04580045  -1.18812148
Al   0.30109023  -3.95397823   0.29109598
Br  -1.64762756  -3.47298826  -1.38768887
Br   2.11170058  -2.89950396  -0.65695660
Br  -0.50184915  -3.03249729   2.23473861
Br   0.25321483  -6.24226102   0.11496795
 18
 Energy -13343.57049628 Gradient 0.00032909
 C  -0.94680326   2.98665831  -1.24480682
 C  -1.03643714   2.26945100   1.07951643
 C  -1.41388206   3.15805210   0.06274136
 C  -0.17417095   1.21656275   0.79611954
 C  -0.08037274   1.93587908  -1.53961633
 C   0.32047579   1.04749347  -0.51729229
 H  -1.25415172   3.68022446  -2.03110251
 H  -1.41793123   2.40685631   2.09406094
 H  -2.08612728   3.98896457   0.29273288
 H   0.12955686   0.51421263   1.57624058
 H   0.31067492   1.80500094  -2.55147668
 H   1.10256699   0.30788248  -0.70712452
Br  -1.19774111  -1.05436008  -1.18848958
Al   0.29865720  -3.94930460   0.28880715
Br  -1.65471368  -3.48171910  -1.39160254
Br   2.10295515  -2.88679984  -0.66344198
Br  -0.51189521  -3.02702975   2.22909609
Br   0.27043296  -6.23823374   0.12299962
 18
 Energy -13343.57023847 Gradient 0.00033920
 C  -0.90211653   2.99356771  -1.23179782
 C  -1.02206228   2.26185585   1.08664740
 C  -1.37647227   3.16374762   0.07351667
 C  -0.17530086   1.19656262   0.80214524
 C  -0.05135779   1.93051214  -1.52753761
 C   0.32685117   1.02864849  -0.50860763
 H  -1.19147502   3.69797949  -2.01527022
 H  -1.40894637   2.39849035   2.09927721
 H  -2.03619434   4.00447856   0.30426678
 H   0.11094421   0.48375246   1.57940368
 H   0.34526467   1.80028989  -2.53733463
 H   1.09846051   0.27772392  -0.69736472
Br  -1.20987266  -1.06278028  -1.18919738
Al   0.29637911  -3.94462249   0.28645187
Br  -1.66167164  -3.49030010  -1.39553135
Br   2.09398566  -2.87442762  -0.67001669
Br  -0.52214879  -3.02182035   2.22324332
Br   0.28794145  -6.23393774   0.13133292
 18
 Energy -13343.56998079 Gradient 0.00035148
 C  -0.85782749   2.99950239  -1.21845320
 C  -1.00709265   2.25487477   1.09419433
 C  -1.33893032   3.16909735   0.08467559
 C  -0.17588052   1.17753305   0.80854963
 C  -0.02270463   1.92456487  -1.51514014
 C   0.33325193   1.01016283  -0.49956771
 H  -1.12977094   3.71383188  -1.99920009
 H  -1.39893629   2.39132196   2.10492315
 H  -1.98622122   4.01920741   0.31613983
 H   0.09327718   0.45507670   1.58307194
 H   0.37916514   1.79448309  -2.52287370
 H   1.09433970   0.24831376  -0.68738439
Br  -1.22200294  -1.07101016  -1.19012463
Al   0.29403207  -3.93991477   0.28397553
Br  -1.66857150  -3.49870606  -1.39948091
Br   2.08498501  -2.86253929  -0.67698608
Br  -0.53279573  -3.01661807   2.21735788
Br   0.30575184  -6.22953076   0.14001628
 18
 Energy -13343.56969926 Gradient 0.00036338
 C  -0.81408138   3.00441819  -1.20486998
 C  -0.99153714   2.24848813   1.10213533
 C  -1.30143375   3.17403242   0.09612083
 C  -0.17580873   1.15951974   0.81539721
 C   0.00541660   1.91792618  -1.50249347
 C   0.33973878   0.99207366  -0.49018609
 H  -1.06888926   3.72798791  -1.98291626
 H  -1.38796998   2.38515393   2.11107283
 H  -1.93625304   4.03333537   0.32838527
 H   0.07674470   0.42821434   1.58721838
 H   0.41208918   1.78755338  -2.50828752
 H   1.09006972   0.21934147  -0.67725432
Br  -1.23411704  -1.07914968  -1.19126131
Al   0.29147904  -3.93550249   0.28204303
Br  -1.67539979  -3.50685099  -1.40346965
Br   2.07612256  -2.85097209  -0.68449761
Br  -0.54394881  -3.01145171   2.21146563
Br   0.32388013  -6.22499698   0.14899076
 18
 Energy -13343.56941379 Gradient 0.00037707
 C  -0.77106881   3.00817975  -1.19110981
 C  -0.97529044   2.24258686   1.11048415
 C  -1.26394408   3.17845630   0.10787204
 C  -0.17512377   1.14229483   0.82254725
 C   0.03289466   1.91052347  -1.48972202
 C   0.34619476   0.97413767  -0.48058506
 H  -1.00936362   3.74011593  -1.96656799
 H  -1.37572213   2.38005491   2.11772008
 H  -1.88635527   4.04652813   0.34091627
 H   0.06139511   0.40290485   1.59180395
 H   0.44395511   1.77933376  -2.49362449
 H   1.08568984   0.19084255  -0.66696048
Br  -1.24610907  -1.08714564  -1.19254691
Al   0.28938369  -3.93101753   0.28019245
Br  -1.68222567  -3.51477887  -1.40747673
Br   2.06702415  -2.83963893  -0.69214533
Br  -0.55544889  -3.00651589   2.20533945
Br   0.34232877  -6.22021688   0.15822134
 18
 Energy -13343.56911796 Gradient 0.00039226
 C  -0.72861687   3.01078309  -1.17732536
 C  -0.95853958   2.23705983   1.11913204
 C  -1.22650203   3.18234278   0.11971804
 C  -0.17384427   1.12583577   0.83017515
 C   0.05974935   1.90221531  -1.47681773
 C   0.35265113   0.95634059  -0.47065099
 H  -0.95077262   3.75037362  -1.95032190
 H  -1.36261634   2.37574429   2.12476899
 H  -1.83646181   4.05905862   0.35356082
 H   0.04693244   0.37904334   1.59698414
 H   0.47467925   1.76973867  -2.47897777
 H   1.08125341   0.16267901  -0.65653093
Br  -1.25792622  -1.09493879  -1.19387108
Al   0.28695723  -3.92661707   0.27797873
Br  -1.68919804  -3.52244254  -1.41155889
Br   2.05787720  -2.82845458  -0.69987302
Br  -0.56715543  -3.00182104   2.19899855
Br   0.36114243  -6.21526703   0.16776302
 18
 Energy -13343.56881218 Gradient 0.00040713
 C  -0.68684059   3.01204238  -1.16367362
 C  -0.94129193   2.23194974   1.12802838
 C  -1.18920747   3.18558299   0.13148187
 C  -0.17207368   1.11008579   0.83826845
 C   0.08607964   1.89291317  -1.46379499
 C   0.35913935   0.93851607  -0.46032828
 H  -0.89326569   3.75848255  -1.93448313
 H  -1.34855242   2.37252623   2.13211451
 H  -1.78679955   4.07058387   0.36588111
 H   0.03363426   0.35679441   1.60294674
 H   0.50469226   1.75862634  -2.46418842
 H   1.07690249   0.13489372  -0.64560929
Br  -1.26948859  -1.10248424  -1.19525249
Al   0.28450804  -3.92213622   0.27565828
Br  -1.69624714  -3.52980895  -1.41563304
Br   2.04860184  -2.81767327  -0.70786474
Br  -0.57922925  -2.99731991   2.19257300
Br   0.38032904  -6.20998586   0.17757350
 18
 Energy -13343.56849361 Gradient 0.00042346
 C  -0.64571865   3.01185568  -1.15030648
 C  -0.92357079   2.22711348   1.13712963
 C  -1.15212462   3.18804283   0.14302210
 C  -0.16960236   1.09496651   0.84686221
 C   0.11197869   1.88252467  -1.45075973
 C   0.36573813   0.92064138  -0.44954958
 H  -0.83701087   3.76428609  -1.91917613
 H  -1.33368852   2.37003962   2.13974812
 H  -1.73755356   4.08108835   0.37779641
 H   0.02131311   0.33583642   1.60962623
 H   0.53378325   1.74584037  -2.44951153
 H   1.07273667   0.10730371  -0.63426714
Br  -1.28069892  -1.10978875  -1.19664004
Al   0.28195501  -3.91755943   0.27362681
Br  -1.70340115  -3.53691275  -1.41969514
Br   2.03923233  -2.80737103  -0.71615804
Br  -0.59179698  -2.99287865   2.18615174
Br   0.39990198  -6.20429277   0.18747056
 18
 Energy -13343.56816018 Gradient 0.00044219
 C  -0.60525170   3.01022675  -1.13720189
 C  -0.90547602   2.22224497   1.14631023
 C  -1.11519579   3.18964694   0.15437645
 C  -0.16663784   1.08018421   0.85575313
 C   0.13729088   1.87096826  -1.43779531
 C   0.37247795   0.90254358  -0.43854135
 H  -0.78180209   3.76798688  -1.90442297
 H  -1.31811670   2.36798407   2.14747470
 H  -1.68853568   4.09041906   0.38932425
 H   0.01006979   0.31599805   1.61692217
 H   0.56197325   1.73142981  -2.43492744
 H   1.06878292   0.07984528  -0.62253501
Br  -1.29143400  -1.11687604  -1.19786463
Al   0.27900554  -3.91292964   0.27140086
Br  -1.71080186  -3.54368329  -1.42381581
Br   2.02979724  -2.79736656  -0.72450544
Br  -0.60466887  -2.98847701   2.17959731
Br   0.41981293  -6.19827516   0.19750294
 18
 Energy -13343.56781786 Gradient 0.00046309
 C  -0.56549823   3.00712844  -1.12442006
 C  -0.88699861   2.21710696   1.15554493
 C  -1.07841874   3.19023565   0.16553080
 C  -0.16330846   1.06540376   0.86483640
 C   0.16197209   1.85824971  -1.42501858
 C   0.37905020   0.88398639  -0.42750689
 H  -0.72781775   3.76956270  -1.89011202
 H  -1.30176377   2.36602650   2.15539873
 H  -1.63963432   4.09861443   0.40064550
 H  -0.00051251   0.29661359   1.62448580
 H   0.58914882   1.71551984  -2.42065880
 H   1.06491307   0.05226271  -0.61052150
Br  -1.30154201  -1.12377759  -1.19883400
Al   0.27576123  -3.90825910   0.26891944
Br  -1.71845692  -3.55012055  -1.42801534
Br   2.02019308  -2.78741334  -0.73301120
Br  -0.61772826  -2.98428616   2.17306079
Br   0.43995848  -6.19180808   0.20765610
 18
 Energy -13343.56745816 Gradient 0.00048638
 C  -0.52669676   3.00247061  -1.11202434
 C  -0.86814916   2.21159326   1.16481080
 C  -1.04198801   3.18969032   0.17645876
 C  -0.15958095   1.05053405   0.87400124
 C   0.18577899   1.84428106  -1.41258517
 C   0.38552470   0.86494908  -0.41653822
 H  -0.67528362   3.76905831  -1.87642812
 H  -1.28465236   2.36401412   2.16340477
 H  -1.59124391   4.10530540   0.41161146
 H  -0.01045477   0.27750005   1.63221723
 H   0.61497700   1.69795368  -2.40683555
 H   1.06087816   0.02445393  -0.59876800
Br  -1.31086117  -1.13041252  -1.19944030
Al   0.27221066  -3.90337534   0.26647236
Br  -1.72640628  -3.55640403  -1.43238965
Br   2.01042699  -2.77748236  -0.74164758
Br  -0.63107009  -2.98038244   2.16661319
Br   0.46041316  -6.18471447   0.21780750
 18
 Energy -13343.56707859 Gradient 0.00051247
 C  -0.48876956   2.99620817  -1.10012666
 C  -0.84906292   2.20551111   1.17399262
 C  -1.00575028   3.18795918   0.18707215
 C  -0.15555864   1.03540604   0.88320964
 C   0.20866601   1.82895268  -1.40057057
 C   0.39166592   0.84520781  -0.40573875
 H  -0.62416691   3.76634545  -1.86335482
 H  -1.26680681   2.36176747   2.17149760
 H  -1.54286381   4.11077197   0.42230982
 H  -0.01933943   0.25881171   1.64022168
 H   0.63943057   1.67869946  -2.39357740
 H   1.05730848  -0.00331396  -0.58684845
Br  -1.31929990  -1.13674833  -1.19959294
Al   0.26825082  -3.89819047   0.26377995
Br  -1.73466832  -3.56253262  -1.43700122
Br   2.00049505  -2.76761501  -0.75027938
Br  -0.64462692  -2.97665943   2.16030200
Br   0.48109986  -6.17700728   0.22791623
 18
 Energy -13343.56667906 Gradient 0.00054490
 C  -0.45142397   2.98829927  -1.08870240
 C  -0.82967803   2.19871017   1.18305372
 C  -0.96942640   3.18501715   0.19740598
 C  -0.15171790   1.01958229   0.89223675
 C   0.23050524   1.81200789  -1.38911786
 C   0.39711707   0.82437383  -0.39528295
 H  -0.57365796   3.76176061  -1.85086757
 H  -1.24819455   2.35920947   2.17955440
 H  -1.49409864   4.11491365   0.43270203
 H  -0.02822478   0.23978289   1.64818730
 H   0.66239841   1.65743951  -2.38096972
 H   1.05336227  -0.03171423  -0.57525900
Br  -1.32678069  -1.14276276  -1.19930371
Al   0.26350255  -3.89277196   0.26070558
Br  -1.74318238  -3.56853557  -1.44188462
Br   1.99032681  -2.75773095  -0.75872700
Br  -0.65806848  -2.97300628   2.15423545
Br   0.50180974  -6.16862938   0.23787970
 18
 Energy -13343.56625448 Gradient 0.00058351
 C  -0.41465065   2.97863214  -1.07793361
 C  -0.81010039   2.19102986   1.19187194
 C  -0.93267473   3.18085828   0.20738982
 C  -0.14843937   1.00281605   0.90100188
 C   0.25095767   1.79320087  -1.37840260
 C   0.40134128   0.80210671  -0.38536795
 H  -0.52389139   3.75498070  -1.83905722
 H  -1.22877469   2.35621003   2.18755670
 H  -1.44403958   4.11810700   0.44297504
 H  -0.03761689   0.22006378   1.65585079
 H   0.68335681   1.63378048  -2.36927983
 H   1.04878728  -0.06100455  -0.56400628
Br  -1.33316326  -1.14824536  -1.19851930
Al   0.25771415  -3.88713273   0.25713339
Br  -1.75186490  -3.57461030  -1.44709788
Br   1.97988185  -2.74763271  -0.76678506
Br  -0.67119883  -2.96943807   2.14845630
Br   0.52240949  -6.15958924   0.24762582
 18
 Energy -13343.56580864 Gradient 0.00063357
 C  -0.37841124   2.96739540  -1.06777138
 C  -0.79032460   2.18238818   1.20039144
 C  -0.89519562   3.17559565   0.21713812
 C  -0.14652810   0.98468310   0.90912826
 C   0.26951226   1.77214682  -1.36895415
 C   0.40353400   0.77783603  -0.37634346
 H  -0.47423103   3.74660461  -1.82784539
 H  -1.20842325   2.35274646   2.19542880
 H  -1.39200143   4.12045009   0.45334158
 H  -0.04873603   0.19908084   1.66287470
 H   0.70184892   1.60738060  -2.35895759
 H   1.04276895  -0.09182147  -0.55314716
Br  -1.33826256  -1.15285504  -1.19719838
Al   0.25056337  -3.88131682   0.25261607
Br  -1.76050332  -3.58088711  -1.45258894
Br   1.96896939  -2.73725311  -0.77419241
Br  -0.68367924  -2.96599697   2.14300165
Br   0.54274718  -6.14991996   0.25709857
 18
 Energy -13343.56531964 Gradient 0.00070426
 C  -0.34241744   2.95412868  -1.05832069
 C  -0.77055366   2.17247760   1.20859561
 C  -0.85637201   3.16911480   0.22681849
 C  -0.14685041   0.96471902   0.91619630
 C   0.28518824   1.74910087  -1.36059774
 C   0.40236864   0.75154936  -0.36900528
 H  -0.42427315   3.73629781  -1.81690175
 H  -1.18692886   2.34856894   2.20336439
 H  -1.33641587   4.12232970   0.46427391
 H  -0.06226844   0.17615187   1.66841123
 H   0.71609630   1.57837656  -2.35024154
 H   1.03449037  -0.12384523  -0.54371614
Br  -1.34191725  -1.15597127  -1.19547802
Al   0.24151853  -3.87548626   0.24678451
Br  -1.76876299  -3.58763192  -1.45813977
Br   1.95743242  -2.72660449  -0.78070924
Br  -0.69507912  -2.96258207   2.13795090
Br   0.56262486  -6.13983607   0.26618954
 18
 Energy -13343.56478602 Gradient 0.00080366
 C  -0.30726197   2.93965189  -1.04945157
 C  -0.75085575   2.16133533   1.21646837
 C  -0.81609154   3.16178664   0.23668903
 C  -0.15032170   0.94281612   0.92195080
 C   0.29718991   1.72380059  -1.35422327
 C   0.39698986   0.72272118  -0.36355187
 H  -0.37424909   3.72508880  -1.80617266
 H  -1.16427108   2.34362419   2.21132423
 H  -1.27668902   4.12398405   0.47636938
 H  -0.08010451   0.15092557   1.67224124
 H   0.72562753   1.54666128  -2.34379018
 H   1.02356610  -0.15736506  -0.53555140
Br  -1.34406560  -1.15652051  -1.19352314
Al   0.23017708  -3.87017601   0.23939989
Br  -1.77611173  -3.59536088  -1.46342477
Br   1.94525802  -2.71569088  -0.78606325
Br  -0.70501304  -2.95927113   2.13317542
Br   0.58171758  -6.12968670   0.27482510
 18
 Energy -13343.56419561 Gradient 0.00094177
 C  -0.27326594   2.92435329  -1.04135990
 C  -0.73166847   2.14935487   1.22391401
 C  -0.77462537   3.15383391   0.24663071
 C  -0.15753619   0.91952843   0.92622693
 C   0.30497130   1.69693989  -1.35004534
 C   0.38672084   0.69199905  -0.36033418
 H  -0.32455374   3.71312305  -1.79568587
 H  -1.14067098   2.33826739   2.21934506
 H  -1.21291717   4.12555304   0.48975753
 H  -0.10265480   0.12390073   1.67383452
 H   0.72970286   1.51282115  -2.33990489
 H   1.01030021  -0.19131845  -0.52860772
Br  -1.34481166  -1.15310080  -1.19146297
Al   0.21615034  -3.86561466   0.22984416
Br  -1.78206800  -3.60492380  -1.46812195
Br   1.93274461  -2.70491544  -0.78989190
Br  -0.71315208  -2.95623230   2.12860668
Br   0.59960619  -6.11985114   0.28291158
 18
 Energy -13343.56349922 Gradient 0.00110770
 C  -0.24097787   2.90855881  -1.03418593
 C  -0.71337335   2.13704505   1.23089930
 C  -0.73300499   3.14551406   0.25644093
 C  -0.16806794   0.89593870   0.92903085
 C   0.30850072   1.67026861  -1.34759964
 C   0.37199036   0.66101879  -0.35944971
 H  -0.27610880   3.70104526  -1.78559123
 H  -1.11683008   2.33276785   2.22722315
 H  -1.14687355   4.12688414   0.50363294
 H  -0.12913838   0.09603547   1.67323049
 H   0.72808565   1.47911190  -2.33828630
 H   0.99598097  -0.22343439  -0.52301334
Br  -1.34448455  -1.14445173  -1.18951875
Al   0.19983831  -3.86203158   0.21852022
Br  -1.78643990  -3.61735306  -1.47199005
Br   1.92038137  -2.69478066  -0.79231641
Br  -0.71941265  -2.95346885   2.12435772
Br   0.61591140  -6.11089851   0.29031195
 18
 Energy -13343.56268089 Gradient 0.00127180
 C  -0.21101943   2.89369705  -1.02767562
 C  -0.69635925   2.12507334   1.23741491
 C  -0.69277911   3.13732202   0.26599629
 C  -0.18077099   0.87338270   0.93082947
 C   0.30888035   1.64491926  -1.34683074
 C   0.35438941   0.63096327  -0.36029257
 H  -0.23015265   3.68963713  -1.77579945
 H  -1.09346517   2.32723431   2.23497407
 H  -1.08165974   4.12765730   0.51801792
 H  -0.15751980   0.06931477   1.67124293
 H   0.72257369   1.44684847  -2.33861946
 H   0.98266095  -0.25252452  -0.51781988
Br  -1.34355151  -1.13030193  -1.18791057
Al   0.18251458  -3.85970626   0.20642393
Br  -1.78943398  -3.63315613  -1.47502345
Br   1.90867635  -2.68547840  -0.79364927
Br  -0.72406696  -2.95100763   2.12044406
Br   0.63043063  -6.10329224   0.29697901
 18
 Energy -13343.56172804 Gradient 0.00139344
 C  -0.18315989   2.88007118  -1.02164234
 C  -0.68058437   2.11386558   1.24352328
 C  -0.65467451   3.12943460   0.27514996
 C  -0.19446309   0.85267661   0.93194278
 C   0.30763006   1.62197240  -1.34690824
 C   0.33547943   0.60281813  -0.36224211
 H  -0.18667093   3.67948494  -1.76637988
 H  -1.07112553   2.32207485   2.24234987
 H  -1.01915687   4.12782034   0.53191780
 H  -0.18638495   0.04463002   1.66856198
 H   0.71536165   1.41772221  -2.33982738
 H   0.97168117  -0.27748038  -0.51234791
Br  -1.34256845  -1.11163556  -1.18677630
Al   0.16526667  -3.85860187   0.19428190
Br  -1.79148325  -3.65194347  -1.47741706
Br   1.89786005  -2.67703664  -0.79421101
Br  -0.72751503  -2.94882955   2.11690580
Br   0.64333885  -6.09707658   0.30297826
 18
 Energy -13343.56066522 Gradient 0.00145490
 C  -0.15669666   2.86780533  -1.01581212
 C  -0.66564328   2.10357207   1.24934510
 C  -0.61860873   3.12202750   0.28397441
 C  -0.20820194   0.83393611   0.93279553
 C   0.30588639   1.60150298  -1.34721465
 C   0.31635682   0.57677259  -0.36483711
 H  -0.14520744   3.67012312  -1.75706442
 H  -1.04974451   2.31703716   2.24954248
 H  -0.95993963   4.12731864   0.54567927
 H  -0.21528161   0.02200972   1.66528403
 H   0.70748988   1.39146346  -2.34142015
 H   0.96303575  -0.29897070  -0.50665304
Br  -1.34199151  -1.08987158  -1.18622107
Al   0.14859682  -3.85856512   0.18276236
Br  -1.79289065  -3.67290931  -1.47935515
Br   1.88784650  -2.66927937  -0.79438384
Br  -0.73021801  -2.94688097   2.11369493
Br   0.65508842  -6.09202512   0.30848410
 18
 Energy -13343.55952554 Gradient 0.00145522
 C  -0.13088389   2.85667285  -1.00985546
 C  -0.65105574   2.09412024   1.25511670
 C  -0.58381668   3.11502489   0.29271895
 C  -0.22158188   0.81703059   0.93354741
 C   0.30438058   1.58321037  -1.34746508
 C   0.29743172   0.55249674  -0.36766517
 H  -0.10489718   3.66188151  -1.74776071
 H  -1.02902002   2.31248613   2.25650821
 H  -0.90326833   4.12635489   0.55879419
 H  -0.24390303   0.00142685   1.66198254
 H   0.69965167   1.36811967  -2.34306204
 H   0.95643644  -0.31737164  -0.50043285
Br  -1.34212270  -1.06621741  -1.18631342
Al   0.13286800  -3.85948910   0.17207712
Br  -1.79390505  -3.69533916  -1.48100156
Br   1.87844667  -2.66201686  -0.79437517
Br  -0.73256162  -2.94510472   2.11073795
Br   0.66610941  -6.08776254   0.31367358
 18
 Energy -13343.55835742 Gradient 0.00140156
 C  -0.10505998   2.84654518  -1.00356915
 C  -0.63631303   2.08540119   1.26104603
 C  -0.54982565   3.10839523   0.30161516
 C  -0.23441906   0.80163624   0.93429685
 C   0.30351515   1.56673073  -1.34741939
 C   0.27888070   0.52983975  -0.37070514
 H  -0.06473989   3.65413376  -1.73791761
 H  -1.00811759   2.30791587   2.26382994
 H  -0.84821281   4.12493282   0.57244719
 H  -0.27202405  -0.01762739   1.65819050
 H   0.69258688   1.34695830  -2.34445221
 H   0.95087164  -0.33395503  -0.49371768
Br  -1.34316763  -1.04153333  -1.18711841
Al   0.11782817  -3.86099832   0.16214823
Br  -1.79468603  -3.71870262  -1.48246102
Br   1.86949014  -2.65511964  -0.79424328
Br  -0.73468362  -2.94345874   2.10796483
Br   0.67676084  -6.08404396   0.31869189
 18
 Energy -13343.55721175 Gradient 0.00131623
 C  -0.07864574   2.83737995  -0.99661462
 C  -0.62121640   2.07714447   1.26718739
 C  -0.51590408   3.10206828   0.31094203
 C  -0.24648110   0.78750709   0.93506790
 C   0.30363103   1.55203029  -1.34691685
 C   0.26078747   0.50847980  -0.37377788
 H  -0.02433291   3.64746662  -1.72749318
 H  -0.98740629   2.30350673   2.27110615
 H  -0.79449931   4.12310951   0.58591953
 H  -0.29964858  -0.03507740   1.65462765
 H   0.68618642   1.32833411  -2.34554254
 H   0.94609822  -0.34877667  -0.48712959
Br  -1.34529317  -1.01640695  -1.18872158
Al   0.10350514  -3.86313872   0.15308966
Br  -1.79528380  -3.74263532  -1.48378400
Br   1.86072356  -2.64842708  -0.79404043
Br  -0.73671876  -2.94194986   2.10524903
Br   0.68730948  -6.08064977   0.32366928
 18
 Energy -13343.55612985 Gradient 0.00120917
 C  -0.05122976   2.82907424  -0.98897560
 C  -0.60554428   2.06937918   1.27360332
 C  -0.48177829   3.09606491   0.32080492
 C  -0.25798852   0.77442883   0.93585906
 C   0.30487512   1.53876876  -1.34582434
 C   0.24334572   0.48862675  -0.37685744
 H   0.01762893   3.64126500  -1.71602285
 H  -0.96575855   2.29884589   2.27897725
 H  -0.74052567   4.12103123   0.60068639
 H  -0.32660968  -0.05092923   1.65112645
 H   0.68114568   1.31136086  -2.34603668
 H   0.94126584  -0.36269883  -0.48061095
Br  -1.34860059  -0.99129569  -1.19118126
Al   0.08998586  -3.86596684   0.14478299
Br  -1.79574497  -3.76687336  -1.48498934
Br   1.85200215  -2.64184024  -0.79379390
Br  -0.73881480  -2.94052187   2.10256906
Br   0.69795838  -6.07742823   0.32868491
 18
 Energy -13343.5551223 Gradient 0.00109302
 C  -0.02264985   2.82150029  -0.98049542
 C  -0.58906226   2.06199585   1.28047360
 C  -0.44674124   3.09031372   0.33140314
 C  -0.26878635   0.76241294   0.93667444
 C   0.30746029   1.52697714  -1.34417702
 C   0.22650418   0.47010445  -0.37979263
 H   0.06006948   3.63588513  -1.70380008
 H  -0.94428495   2.29437752   2.28690876
 H  -0.68682357   4.11867515   0.61549628
 H  -0.35399521  -0.06590113   1.64717523
 H   0.67712820   1.29662270  -2.34612456
 H   0.93625863  -0.37566263  -0.47418927
Br  -1.35316718  -0.96655173  -1.19452684
Al   0.07708265  -3.86926179   0.13723063
Br  -1.79615085  -3.79120405  -1.48612135
Br   1.84327132  -2.63527325  -0.79353294
Br  -0.74099781  -2.93917185   2.09994975
Br   0.70884927  -6.07434581   0.33375221
 18
 Energy -13343.55419542 Gradient 0.00097967
 C   0.00710151   2.81460035  -0.97115745
 C  -0.57173653   2.05486468   1.28772105
 C  -0.41108018   3.08483944   0.34282396
 C  -0.27879397   0.75125632   0.93742649
 C   0.31125038   1.51641384  -1.34195026
 C   0.21065478   0.45321455  -0.38264853
 H   0.10469283   3.63088489  -1.69025083
 H  -0.92118672   2.28933249   2.29570124
 H  -0.63175258   4.11610220   0.63220356
 H  -0.38031830  -0.07960507   1.64301498
 H   0.67446274   1.28333291  -2.34567819
 H   0.93059856  -0.38833337  -0.46814968
Br  -1.35901582  -0.94238525  -1.19876919
Al   0.06473690  -3.87285928   0.13043158
Br  -1.79654050  -3.81551041  -1.48719833
Br   1.83448358  -2.62872048  -0.79324650
Br  -0.74330598  -2.93793037   2.09735062
Br   0.72005332  -6.07126580   0.33890320
 18
 Energy -13343.55337103 Gradient 0.00086967
 C   0.03822395   2.80837893  -0.96090446
 C  -0.55341743   2.04783786   1.29551289
 C  -0.37444641   3.07927039   0.35504018
 C  -0.28781521   0.74088855   0.93824064
 C   0.31640796   1.50722993  -1.33916948
 C   0.19548335   0.43780570  -0.38541671
 H   0.14955688   3.62669303  -1.67583200
 H  -0.89846492   2.28421195   2.30452970
 H  -0.57757580   4.11286886   0.64893526
 H  -0.40684198  -0.09257098   1.63841347
 H   0.67265317   1.27207650  -2.34488625
 H   0.92391950  -0.40064790  -0.46331453
Br  -1.36609994  -0.91895570  -1.20389147
Al   0.05294256  -3.87674254   0.12429340
Br  -1.79691530  -3.83963335  -1.48820378
Br   1.82562970  -2.62215444  -0.79294470
Br  -0.74578770  -2.93682668   2.09472886
Br   0.73157851  -6.06811040   0.34419873
 18
 Energy -13343.55263906 Gradient 0.00077047
 C   0.07044710   2.80258756  -0.94985886
 C  -0.53427690   2.04087092   1.30370752
 C  -0.33717396   3.07362446   0.36802239
 C  -0.29616319   0.73118720   0.93890087
 C   0.32257154   1.49900759  -1.33592755
 C   0.18122920   0.42400672  -0.38813235
 H   0.19715791   3.62272882  -1.65995203
 H  -0.87355884   2.27843759   2.31440496
 H  -0.52108681   4.10919241   0.66774988
 H  -0.43184926  -0.10444258   1.63364959
 H   0.67247534   1.26212299  -2.34350639
 H   0.91633611  -0.41292124  -0.45898682
Br  -1.37429675  -0.89635357  -1.20982979
Al   0.04174370  -3.88085074   0.11866755
Br  -1.79732096  -3.86343774  -1.48914853
Br   1.81665994  -2.61562804  -0.79263651
Br  -0.74842882  -2.93585955   2.09214672
Br   0.74341371  -6.06476826   0.34961791
 18
 Energy -13343.55198976 Gradient 0.00067400
 C   0.10370614   2.79707975  -0.93809811
 C  -0.51425171   2.03378007   1.31224867
 C  -0.29869027   3.06782308   0.38176731
 C  -0.30375359   0.72203031   0.93949500
 C   0.32977974   1.49176907  -1.33227822
 C   0.16765031   0.41147517  -0.39075926
 H   0.24408031   3.61903005  -1.64363654
 H  -0.84947738   2.27235532   2.32403900
 H  -0.46543060   4.10483690   0.68651327
 H  -0.45747343  -0.11564393   1.62834242
 H   0.67226839   1.25380842  -2.34214102
 H   0.90795172  -0.42502522  -0.45579214
Br  -1.38344496  -0.87462912  -1.21649309
Al   0.03107406  -3.88500167   0.11349212
Br  -1.79775478  -3.88687643  -1.49002292
Br   1.80755316  -2.60903642  -0.79228285
Br  -0.75123075  -2.93502531   2.08964159
Br   0.75554076  -6.06128003   0.35509224
 18
 Energy -13343.55141385 Gradient 0.00058625
 C   0.13761014   2.79159105  -0.92582049
 C  -0.49360767   2.02647325   1.32098602
 C  -0.25983183   3.06169838   0.39606151
 C  -0.31062116   0.71332031   0.93984970
 C   0.33756222   1.48510171  -1.32843566
 C   0.15475545   0.40028814  -0.39351775
 H   0.29368984   3.61511776  -1.62607970
 H  -0.82294701   2.26535468   2.33464493
 H  -0.40713844   4.09978641   0.70724134
 H  -0.48121426  -0.12599839   1.62289075
 H   0.67359883   1.24630011  -2.34030304
 H   0.89856354  -0.43731859  -0.45355082
Br  -1.39333736  -0.85370842  -1.22375376
Al   0.02089778  -3.88938128   0.10892508
Br  -1.79828387  -3.90992527  -1.49086544
Br   1.79833166  -2.60233253  -0.79181555
Br  -0.75418412  -2.93428093   2.08713385
Br   0.76792422  -6.05759762   0.36060272
 18
 Energy -13343.55091272 Gradient 0.00048916
 C   0.17233307   2.78608596  -0.91302515
 C  -0.47221015   2.01879695   1.32996001
 C  -0.22002558   3.05506787   0.41090583
 C  -0.31697542   0.70490917   0.94001754
 C   0.34592965   1.47911167  -1.32444690
 C   0.14215009   0.39001868  -0.39641247
 H   0.34216949   3.61116743  -1.60833322
 H  -0.79748753   2.25785746   2.34487289
 H  -0.35025896   4.09375974   0.72764183
 H  -0.50553137  -0.13577628   1.61689060
 H   0.67420789   1.24014342  -2.33882007
 H   0.88864151  -0.44939663  -0.45224774
Br  -1.40375559  -0.83358955  -1.23151583
Al   0.01079965  -3.89384880   0.10456774
Br  -1.79891370  -3.93255650  -1.49162407
Br   1.78908290  -2.59554619  -0.79123988
Br  -0.75728210  -2.93359600   2.08471734
Br   0.78055470  -6.05368439   0.36611808
 18
 Energy -13343.55051397 Gradient 0.00042670
 C   0.20785841   2.78013047  -0.89977968
 C  -0.44985930   2.01049629   1.33916491
 C  -0.17899398   3.04766540   0.42641488
 C  -0.32316707   0.69654570   0.93975092
 C   0.35442889   1.47323657  -1.32046693
 C   0.12948246   0.38069317  -0.39966629
 H   0.39399097   3.60649310  -1.58928197
 H  -0.76859465   2.24908461   2.35627481
 H  -0.28884736   4.08653581   0.75031668
 H  -0.52851911  -0.14524471   1.61052669
 H   0.67617369   1.23435251  -2.33697901
 H   0.87772454  -0.46154835  -0.45164063
Br  -1.41494757  -0.81493686  -1.24006115
Al   0.00113433  -3.89849478   0.10083422
Br  -1.79959232  -3.95399255  -1.49214747
Br   1.77963680  -2.58845874  -0.79059861
Br  -0.76065162  -2.93295159   2.08236143
Br   0.79367410  -6.04955406   0.37170756
 18
 Energy -13343.55011547 Gradient 0.00035014
 C   0.24426794   2.77353690  -0.88626344
 C  -0.42641216   2.00175878   1.34857979
 C  -0.13679424   3.03941740   0.44217748
 C  -0.32871706   0.68841193   0.93953911
 C   0.36333634   1.46734737  -1.31638349
 C   0.11684351   0.37183741  -0.40291726
 H   0.44471525   3.60099547  -1.57049562
 H  -0.74034500   2.23995480   2.36726561
 H  -0.22854541   4.07810648   0.77223183
 H  -0.55229429  -0.15385518   1.60402579
 H   0.67681094   1.22896286  -2.33559663
 H   0.86564135  -0.47432122  -0.45216905
Br  -1.42671199  -0.79721061  -1.24912663
Al  -0.00765238  -3.90313501   0.09782835
Br  -1.80032033  -3.97464393  -1.49263858
Br   1.76992229  -2.58113908  -0.78984047
Br  -0.76420248  -2.93243726   2.07999099
Br   0.80700018  -6.04517594   0.37733815
 18
 Energy -13343.54980507 Gradient 0.00027831
 C   0.28068713   2.76664073  -0.87263059
 C  -0.40288719   1.99273628   1.35799325
 C  -0.09453111   3.03065274   0.45814674
 C  -0.33410725   0.68069823   0.93914102
 C   0.37196132   1.46174278  -1.31232410
 C   0.10421706   0.36401497  -0.40631448
 H   0.49761544   3.59475570  -1.55095636
 H  -0.71000439   2.22994314   2.37898891
 H  -0.16557260   4.06863615   0.79556631
 H  -0.57464047  -0.16179046   1.59752246
 H   0.67851587   1.22406542  -2.33382338
 H   0.85363601  -0.48628125  -0.45282979
Br  -1.43839431  -0.77992894  -1.25834762
Al  -0.01659709  -3.90785170   0.09473358
Br  -1.80110288  -3.99521199  -1.49315397
Br   1.76020466  -2.57358469  -0.78889499
Br  -0.76777728  -2.93208666   2.07776135
Br   0.82025220  -6.04056905   0.38281564
 18
 Energy -13343.54955678 Gradient 0.00020844
 C   0.31788760   2.75922747  -0.85844350
 C  -0.37880592   1.98271665   1.36759702
 C  -0.05166057   3.02074151   0.47464349
 C  -0.33913325   0.67279995   0.93847501
 C   0.38089898   1.45646603  -1.30824071
 C   0.09142816   0.35687003  -0.41010422
 H   0.54968278   3.58802805  -1.53104418
 H  -0.68072621   2.21873773   2.39041121
 H  -0.10416962   4.05758521   0.81887370
 H  -0.59743138  -0.16955821   1.59040031
 H   0.67890548   1.22013227  -2.33258882
 H   0.84082879  -0.49840479  -0.45460004
Br  -1.45017387  -0.76342987  -1.26793004
Al  -0.02547891  -3.91259268   0.09185461
Br  -1.80199523  -4.01517047  -1.49357767
Br   1.75040983  -2.56576568  -0.78775365
Br  -0.77142813  -2.93182190   2.07563105
Br   0.83354579  -6.03565047   0.38812571
 18
 Energy -13343.5493696 Gradient 0.00014029
 C   0.35497037   2.75098529  -0.84414287
 C  -0.35405171   1.97179172   1.37731558
 C  -0.00814762   3.00970090   0.49150715
 C  -0.34382997   0.66479316   0.93749791
 C   0.38951702   1.45107791  -1.30435081
 C   0.07866327   0.35018961  -0.41421821
 H   0.60314921   3.58006081  -1.51049672
 H  -0.64877613   2.20588276   2.40268086
 H  -0.03961417   4.04477866   0.84361297
 H  -0.61895244  -0.17725779   1.58301361
 H   0.67984033   1.21647593  -2.33131716
 H   0.82794897  -0.51048580  -0.45677557
Br  -1.46201734  -0.74777400  -1.27779629
Al  -0.03426409  -3.91729096   0.08927585
Br  -1.80290158  -4.03449004  -1.49397871
Br   1.74046998  -2.55757671  -0.78639348
Br  -0.77517521  -2.93156637   2.07360937
Br   0.84682368  -6.03045029   0.39327329
 18
 Energy -13343.54923041 Gradient 0.00006950
 C   0.39282907   2.74179006  -0.82979569
 C  -0.32849328   1.96002233   1.38698591
 C   0.03626390   2.99743560   0.50840169
 C  -0.34842849   0.65675072   0.93627384
 C   0.39815122   1.44550893  -1.30060510
 C   0.06556632   0.34395948  -0.41857648
 H   0.65645594   3.57090002  -1.49017532
 H  -0.61698077   2.19215266   2.41456923
 H   0.02463194   4.03037646   0.86795168
 H  -0.64124738  -0.18438191   1.57525758
 H   0.67977375   1.21308217  -2.33049538
 H   0.81485363  -0.52243388  -0.45976218
Br  -1.47388320  -0.73304298  -1.28787188
Al  -0.04290201  -3.92203062   0.08693894
Br  -1.80385766  -4.05315632  -1.49438050
Br   1.73041912  -2.54891154  -0.78479120
Br  -0.77904086  -2.93127207   2.07166806
Br   0.86004297  -6.02502112   0.39835153
 18
 Energy -13343.5491479 Gradient 0.00000667
 C   0.43093845   2.73151283  -0.81532474
 C  -0.30239316   1.94711962   1.39665228
 C   0.08132013   2.98373976   0.52553086
 C  -0.35278794   0.64842503   0.93478243
 C   0.40655383   1.43966113  -1.29701635
 C   0.05206545   0.33807698  -0.42330670
 H   0.71106593   3.56023156  -1.46937183
 H  -0.58345247   2.17668800   2.42687232
 H   0.09105367   4.01385942   0.89316443
 H  -0.66274135  -0.19145397   1.56737549
 H   0.67955764   1.20977150  -2.32980410
 H   0.80103005  -0.53484981  -0.46344081
Br  -1.48587912  -0.71938668  -1.29836121
Al  -0.05135794  -3.92663458   0.08493695
Br  -1.80484017  -4.07106333  -1.49457709
Br   1.72034915  -2.53992854  -0.78305167
Br  -0.78286812  -2.93068894   2.06986839
Br   0.87311321  -6.01926990   0.40330144
 18
 Energy -13343.54912027  ZPE 0.101583  G(298.15) 32.28
 C   0.46704465   2.72093195  -0.80130157
 C  -0.27702467   1.93343729   1.40597527
 C   0.12485846   2.96917919   0.54235441
 C  -0.35777612   0.64019544   0.93269214
 C   0.41313343   1.43434042  -1.29408351
 C   0.03747891   0.33307319  -0.42874811
 H   0.76259706   3.54915162  -1.44917294
 H  -0.55073243   2.15997118   2.43884742
 H   0.15521288   3.99599092   0.91805909
 H  -0.68471087  -0.19816580   1.55877952
 H   0.67672152   1.20765953  -2.33003135
 H   0.78709915  -0.54619035  -0.46792685
Br  -1.49806887  -0.70643250  -1.30932177
Al  -0.05994300  -3.93122976   0.08321868
Br  -1.80570348  -4.08889703  -1.49469653
Br   1.70982811  -2.52994667  -0.78093866
Br  -0.78688247  -2.93019848   2.06820265
Br   0.88686775  -6.01287015   0.40809211
 18
 Energy -13343.54914848 Gradient 0.00000667
 C   0.50408328   2.70892261  -0.78819927
 C  -0.25148723   1.91978393   1.41442442
 C   0.16913641   2.95373830   0.55802622
 C  -0.36289163   0.63254700   0.93036716
 C   0.41986533   1.42820578  -1.29156424
 C   0.02237664   0.32846318  -0.43424071
 H   0.81572447   3.53582783  -1.43020393
 H  -0.51781792   2.14352518   2.44983361
 H   0.22057202   3.97688624   0.94139848
 H  -0.70682392  -0.20342111   1.55053139
 H   0.67371052   1.20454511  -2.33060981
 H   0.77270458  -0.55797729  -0.47200282
Br  -1.51018663  -0.69469996  -1.31985729
Al  -0.06833556  -3.93594375   0.08184050
Br  -1.80649154  -4.10605232  -1.49487501
Br   1.69891582  -2.51877523  -0.77847758
Br  -0.79111198  -2.93013225   2.06681543
Br   0.90078205  -6.00628912   0.41237105
 18
 Energy -13343.54923392 Gradient 0.00007177
 C   0.54387376   2.69498862  -0.77503166
 C  -0.22442545   1.90539230   1.42272127
 C   0.21605451   2.93665387   0.57359974
 C  -0.36758881   0.62504348   0.92799190
 C   0.42747755   1.42114489  -1.28906071
 C   0.00691923   0.32411187  -0.43979034
 H   0.87326787   3.51963437  -1.41102958
 H  -0.48271160   2.12619142   2.46081533
 H   0.29027197   3.95540076   0.96480115
 H  -0.72881448  -0.20782051   1.54247252
 H   0.67165325   1.20061089  -2.33109444
 H   0.75858152  -0.57015133  -0.47581942
Br  -1.52163231  -0.68471701  -1.32989213
Al  -0.07674453  -3.94062912   0.08072816
Br  -1.80734557  -4.12150627  -1.49498577
Br   1.68823411  -2.50742658  -0.77569645
Br  -0.79508252  -2.93005643   2.06561859
Br   0.91363082  -5.99989508   0.41597899
 18
 Energy -13343.54937738 Gradient 0.00015573
 C   0.58221983   2.68004492  -0.76205332
 C  -0.19618345   1.88909232   1.43118894
 C   0.26307487   2.91773772   0.58937758
 C  -0.37128902   0.61665551   0.92541819
 C   0.43439470   1.41386583  -1.28684997
 C  -0.00788708   0.31980457  -0.44551744
 H   0.92724475   3.50259047  -1.39253221
 H  -0.44677029   2.10642249   2.47188921
 H   0.35888791   3.93174892   0.98825574
 H  -0.75015731  -0.21266430   1.53399676
 H   0.66741500   1.19761660  -2.33233782
 H   0.74535569  -0.58311031  -0.48026604
Br  -1.53257321  -0.67519811  -1.34013753
Al  -0.08541279  -3.94534486   0.07978186
Br  -1.80831907  -4.13651681  -1.49516515
Br   1.67742436  -2.49551442  -0.77253961
Br  -0.79900597  -2.92987976   2.06447193
Br   0.92620044  -5.99317789   0.41948674
 18
 Energy -13343.54958401 Gradient 0.00022564
 C   0.61981215   2.66398312  -0.74982687
 C  -0.16715217   1.87175190   1.43930325
 C   0.30968759   2.89750429   0.60443696
 C  -0.37409460   0.60799378   0.92282450
 C   0.44050445   1.40624379  -1.28506888
 C  -0.02339843   0.31595511  -0.45158530
 H   0.98136397   3.48367051  -1.37467191
 H  -0.40772123   2.08478384   2.48328457
 H   0.42868642   3.90571594   1.01147797
 H  -0.76879584  -0.21766790   1.52624764
 H   0.66287646   1.19417424  -2.33373425
 H   0.73268116  -0.59643299  -0.48531610
Br  -1.54316314  -0.66645862  -1.35032386
Al  -0.09414509  -3.95019906   0.07931612
Br  -1.80919340  -4.15110986  -1.49530222
Br   1.66637807  -2.48272037  -0.76923665
Br  -0.80305137  -2.92972774   2.06355571
Br   0.93875649  -5.98626539   0.42275718
 18
 Energy -13343.54985991 Gradient 0.00031388
 C   0.65825923   2.64651048  -0.73774815
 C  -0.13777495   1.85348466   1.44691454
 C   0.35722522   2.87588425   0.61913050
 C  -0.37725637   0.59938237   0.91974287
 C   0.44624998   1.39829940  -1.28366197
 C  -0.03978478   0.31274383  -0.45799272
 H   1.03516689   3.46314410  -1.35762054
 H  -0.37023181   2.06238725   2.49354235
 H   0.49755052   3.87846952   1.03343925
 H  -0.78926134  -0.22159557   1.51783493
 H   0.65614602   1.19156183  -2.33595239
 H   0.72035988  -0.61009783  -0.49053280
Br  -1.55342273  -0.65896596  -1.36036206
Al  -0.10289360  -3.95497955   0.07920181
Br  -1.80987991  -4.16480399  -1.49538961
Br   1.65521768  -2.46899364  -0.76576672
Br  -0.80697527  -2.92969292   2.06292862
Br   0.95079460  -5.97930932   0.42565288
 18
 Energy -13343.55021457 Gradient 0.00040339
 C   0.69610541   2.62771742  -0.72627783
 C  -0.10813042   1.83397298   1.45399720
 C   0.40466145   2.85261513   0.63331737
 C  -0.37985225   0.59037783   0.91631083
 C   0.45139776   1.38996084  -1.28272298
 C  -0.05652219   0.31002650  -0.46480415
 H   1.09022195   3.44026077  -1.34068973
 H  -0.32997321   2.03752468   2.50404062
 H   0.56941668   3.84784843   1.05589372
 H  -0.80737662  -0.22597901   1.50970606
 H   0.64967689   1.18863095  -2.33829236
 H   0.70908593  -0.62532049  -0.49602636
Br  -1.56325501  -0.65264502  -1.37025151
Al  -0.11161948  -3.95974805   0.07975009
Br  -1.81041293  -4.17771542  -1.49547860
Br   1.64387793  -2.45408943  -0.76211547
Br  -0.81087233  -2.92974903   2.06255247
Br   0.96238463  -5.97223504   0.42817210
 18
 Energy -13343.55065142 Gradient 0.00050451
 C   0.73412678   2.60736132  -0.71529590
 C  -0.07806697   1.81341333   1.46044320
 C   0.45224249   2.82801197   0.64668745
 C  -0.38237225   0.58115016   0.91250584
 C   0.45625305   1.38088285  -1.28203707
 C  -0.07407285   0.30776267  -0.47173855
 H   1.14311152   3.41587979  -1.32545689
 H  -0.29143299   2.01199341   2.51315938
 H   0.63805728   3.81671481   1.07611169
 H  -0.82690715  -0.22931941   1.50118956
 H   0.64085899   1.18625667  -2.34134044
 H   0.69890093  -0.64243025  -0.50153197
Br  -1.57250903  -0.64761155  -1.37989640
Al  -0.12043351  -3.96469235   0.08107380
Br  -1.81069553  -4.18966214  -1.49556340
Br   1.63237467  -2.43793404  -0.75830514
Br  -0.81479111  -2.92992953   2.06246867
Br   0.97353056  -5.96518953   0.43021720
 18
 Energy -13343.5511928 Gradient 0.00062046
 C   0.77177640   2.58537190  -0.70519772
 C  -0.04822382   1.79232566   1.46594110
 C   0.49943515   2.80221177   0.65897428
 C  -0.38480506   0.57203777   0.90832979
 C   0.46072874   1.37082630  -1.28168632
 C  -0.09245020   0.30625996  -0.47879525
 H   1.19822034   3.38819901  -1.31076588
 H  -0.25077201   1.98482064   2.52201790
 H   0.70978248   3.78238322   1.09601740
 H  -0.84489265  -0.23221076   1.49324155
 H   0.63265611   1.18273572  -2.34425494
 H   0.69125424  -0.66370352  -0.50677888
Br  -1.58104292  -0.64400179  -1.38922707
Al  -0.12933620  -3.97004272   0.08337774
Br  -1.81069433  -4.20063762  -1.49574250
Br   1.62070236  -2.42026365  -0.75434053
Br  -0.81859102  -2.93032515   2.06270302
Br   0.98391752  -5.95816038   0.43180601
 18
 Energy -13343.55183921 Gradient 0.00075389
 C   0.80922180   2.56197956  -0.69590715
 C  -0.01816647   1.77064360   1.47031763
 C   0.54644011   2.77562157   0.66995815
 C  -0.38688853   0.56294980   0.90325917
 C   0.46482566   1.35993772  -1.28179805
 C  -0.11187203   0.30602722  -0.48612637
 H   1.25037771   3.35926556  -1.29850613
 H  -0.21253263   1.95752938   2.52886839
 H   0.77730442   3.74866365   1.11287856
 H  -0.86436539  -0.23382511   1.48392131
 H   0.62196393   1.18003343  -2.34805802
 H   0.68736593  -0.69188448  -0.51233033
Br  -1.58852177  -0.64206065  -1.39813020
Al  -0.13841427  -3.97494838   0.08671946
Br  -1.81046983  -4.21040623  -1.49597414
Br   1.60890707  -2.40088067  -0.75027136
Br  -0.82247550  -2.93133531   2.06356909
Br   0.99360900  -5.95149490   0.43279656
 18
 Energy -13343.55291774 Gradient 0.00093170
 C   0.83548153   2.54411418  -0.68732417
 C   0.00507988   1.75629953   1.47048195
 C   0.57571380   2.75973133   0.67628334
 C  -0.38552595   0.55493781   0.89485264
 C   0.46595865   1.34745399  -1.28009620
 C  -0.14366713   0.32159202  -0.49315067
 H   1.28961498   3.33385184  -1.28991083
 H  -0.18224401   1.93499589   2.53219465
 H   0.81975787   3.72663292   1.12334595
 H  -0.88505977  -0.22735623   1.47446539
 H   0.60064373   1.18176162  -2.35158432
 H   0.75920530  -0.85408920  -0.52948030
Br  -1.59079247  -0.64229795  -1.40309178
Al  -0.15158021  -3.98282026   0.09347357
Br  -1.80978066  -4.21596871  -1.49615406
Br   1.60180107  -2.38469756  -0.74795937
Br  -0.82452275  -2.93253784   2.06391345
Br   0.99951043  -5.94706035   0.43286714
 18
 Energy -13343.55842777 Gradient 0.00466670
 C   0.85238889   2.53442529  -0.67871636
 C   0.02262172   1.75052444   1.46901285
 C   0.59138893   2.75606426   0.67982933
 C  -0.38734064   0.55417033   0.88626398
 C   0.45986518   1.34212837  -1.27836196
 C  -0.20078143   0.36733354  -0.49945998
 H   1.31547842   3.31736866  -1.28495195
 H  -0.15979977   1.92083048   2.53255317
 H   0.83487868   3.72432770   1.12611059
 H  -0.91142221  -0.21168289   1.46337691
 H   0.56891268   1.19143895  -2.35497553
 H   0.85846966  -1.04803895  -0.53289743
Br  -1.58806619  -0.64479196  -1.40437305
Al  -0.17158050  -3.99634793   0.10501908
Br  -1.80864507  -4.21784127  -1.49643394
Br   1.60315778  -2.37777214  -0.74841618
Br  -0.82432052  -2.93356643   2.06314698
Br   1.00185714  -5.94451146   0.43220654
 18
 Energy -13343.56251055 Gradient 0.00625713
 C   0.87154266   2.53093301  -0.67114704
 C   0.04101253   1.74971200   1.47192951
 C   0.61561675   2.75341037   0.68697354
 C  -0.40466591   0.56896641   0.88189852
 C   0.44230693   1.35504052  -1.28029265
 C  -0.26638268   0.42142688  -0.50711188
 H   1.35884852   3.30181629  -1.27277198
 H  -0.11961390   1.90835162   2.54139373
 H   0.88092250   3.71179789   1.13876271
 H  -0.93818467  -0.19146660   1.45625620
 H   0.54164846   1.20734156  -2.35785131
 H   0.88653223  -1.08824323  -0.50578756
Br  -1.58587932  -0.64941835  -1.40658946
Al  -0.19477096  -4.01301855   0.11907062
Br  -1.80777980  -4.21979172  -1.49739802
Br   1.60948567  -2.37771777  -0.75000449
Br  -0.82399671  -2.93463802   2.06276882
Br   1.00464489  -5.94202802   0.43134094
 18
 Energy -13343.56583347 Gradient 0.00474912
 C   0.89064956   2.53312018  -0.66368508
 C   0.05817795   1.75340884   1.47759982
 C   0.65364722   2.74893634   0.69835778
 C  -0.43266072   0.59474616   0.87798629
 C   0.41535472   1.37966636  -1.28304755
 C  -0.31929857   0.46604142  -0.51338568
 H   1.40466196   3.29140416  -1.25997615
 H  -0.07741078   1.89984585   2.55184648
 H   0.95871357   3.69176461   1.15951336
 H  -0.97353020  -0.16105490   1.45128989
 H   0.50983504   1.23530654  -2.36150574
 H   0.89884055  -1.10167653  -0.48925709
Br  -1.58558759  -0.65562906  -1.41036152
Al  -0.21648726  -4.02988602   0.13268621
Br  -1.80772097  -4.22233170  -1.49935627
Br   1.61674887  -2.37937468  -0.75136387
Br  -0.82413558  -2.93536837   2.06363388
Br   1.00828066  -5.93986252   0.43048747
 18
 Energy -13343.56870865 Gradient 0.00396469
 C   0.90758572   2.53757991  -0.65637762
 C   0.07311586   1.75934871   1.48270561
 C   0.69976153   2.74169072   0.71176904
 C  -0.46313645   0.62501500   0.87383887
 C   0.38558412   1.40850994  -1.28496938
 C  -0.36389755   0.50713435  -0.51822901
 H   1.44251274   3.28365614  -1.24904976
 H  -0.04385404   1.89450928   2.56098787
 H   1.05206885   3.66178663   1.18346649
 H  -1.01666448  -0.12222291   1.44592948
 H   0.46965583   1.27172325  -2.36510373
 H   0.90831856  -1.11892293  -0.48251964
Br  -1.58650434  -0.66188830  -1.41487135
Al  -0.23465436  -4.04521689   0.14421220
Br  -1.80846317  -4.22542888  -1.50209282
Br   1.62381111  -2.38190523  -0.75220428
Br  -0.82480937  -2.93563661   2.06569759
Br   1.01268493  -5.93837300   0.42976864
 18
 Energy -13343.57107996 Gradient 0.00332631
 C   0.92366482   2.54219838  -0.64972505
 C   0.08696623   1.76528838   1.48741688
 C   0.74827479   2.73099907   0.72473514
 C  -0.49466339   0.65745085   0.86981338
 C   0.35481354   1.43996145  -1.28697466
 C  -0.40623483   0.54689777  -0.52303975
 H   1.47746300   3.27683403  -1.23997500
 H  -0.01326177   1.88913528   2.56849816
 H   1.14887393   3.62637822   1.20651346
 H  -1.06157449  -0.08030590   1.44098298
 H   0.42748376   1.31241903  -2.36907451
 H   0.90714498  -1.13234418  -0.48287030
Br  -1.58790912  -0.66683134  -1.41939409
Al  -0.24993891  -4.05911813   0.15407824
Br  -1.80974419  -4.22911258  -1.50531724
Br   1.63066454  -2.38533424  -0.75249959
Br  -0.82597077  -2.93564469   2.06849874
Br   1.01794084  -5.93757256   0.42919809
 18
 Energy -13343.5729583 Gradient 0.00269716
 C   0.93891743   2.54601753  -0.64411331
 C   0.10007110   1.77020765   1.49111870
 C   0.79650690   2.71698672   0.73616142
 C  -0.52662224   0.69102948   0.86551986
 C   0.32355439   1.47269654  -1.28928645
 C  -0.44708857   0.58703799  -0.52778000
 H   1.51076305   3.26839240  -1.23194249
 H   0.01565524   1.88234047   2.57507605
 H   1.24568658   3.58345539   1.22700809
 H  -1.10731954  -0.03652303   1.43574643
 H   0.38429505   1.35536316  -2.37318669
 H   0.89746838  -1.15045161  -0.49982090
Br  -1.58977641  -0.66923835  -1.42359804
Al  -0.26333044  -4.07192803   0.16281497
Br  -1.81132534  -4.23350932  -1.50881357
Br   1.63752324  -2.38996019  -0.75213993
Br  -0.82763722  -2.93563113   2.07172748
Br   1.02418272  -5.93729541   0.42878204
 18
 Energy -13343.57436637 Gradient 0.00208125
 C   0.95317115   2.54906761  -0.63983738
 C   0.11228134   1.77396741   1.49367356
 C   0.84255668   2.70024992   0.74527880
 C  -0.55807161   0.72506384   0.86108960
 C   0.29302949   1.50602269  -1.29205055
 C  -0.48656353   0.62755929  -0.53248687
 H   1.54194670   3.25953371  -1.22580191
 H   0.04321072   1.87402441   2.57975301
 H   1.33786337   3.53693693   1.24398936
 H  -1.15181023   0.00738752   1.43035825
 H   0.34192935   1.39924291  -2.37763526
 H   0.86957379  -1.17324335  -0.54504583
Br  -1.59247544  -0.66762888  -1.42732710
Al  -0.27471408  -4.08423676   0.17072111
Br  -1.81287531  -4.23870952  -1.51223734
Br   1.64446838  -2.39661417  -0.75098600
Br  -0.82990724  -2.93598475   2.07493499
Br   1.03158664  -5.93740019   0.42860316
 18
 Energy -13343.57546396 Gradient 0.00153740
 C   0.96481220   2.55249366  -0.63724062
 C   0.12193594   1.77778319   1.49505140
 C   0.88043010   2.68506425   0.75123102
 C  -0.58552507   0.75646626   0.85741077
 C   0.26627848   1.53727993  -1.29482644
 C  -0.52070483   0.66733962  -0.53566139
 H   1.56836234   3.25173465  -1.22142990
 H   0.06636755   1.86687249   2.58300441
 H   1.41481414   3.49345625   1.25572240
 H  -1.18937832   0.04659436   1.42561306
 H   0.30497818   1.43959962  -2.38162036
 H   0.78484406  -1.23177563  -0.67319734
Br  -1.59526341  -0.66177376  -1.43001080
Al  -0.28154559  -4.09539289   0.17701133
Br  -1.81376999  -4.24377613  -1.51479092
Br   1.65026235  -2.40551414  -0.74911625
Br  -0.83269504  -2.93713355   2.07719668
Br   1.03945309  -5.93821693   0.42901404
 18
 Energy -13343.57702266 Gradient 0.00143106
 C   0.97122279   2.55660541  -0.63584463
 C   0.12707874   1.78208639   1.49590698
 C   0.90219864   2.67685749   0.75417194
 C  -0.60375374   0.77879822   0.85552324
 C   0.24819304   1.56001256  -1.29665887
 C  -0.54325529   0.69978389  -0.53563562
 H   1.58471375   3.24816095  -1.21912626
 H   0.08124359   1.86315263   2.58470550
 H   1.46012961   3.46752125   1.26189345
 H  -1.21143956   0.07172275   1.42294943
 H   0.28141180   1.46701816  -2.38398779
 H   0.62876070  -1.37042444  -0.89851468
Br  -1.59465654  -0.65617906  -1.43078679
Al  -0.28131247  -4.10325550   0.18083769
Br  -1.81368433  -4.24664909  -1.51584662
Br   1.65169181  -2.41263974  -0.74775550
Br  -0.83504884  -2.93857050   2.07788851
Br   1.04508754  -5.93998139   0.43006882
 18
 Energy -13343.57916191 Gradient 0.00281766
 C   0.97386183   2.56319235  -0.63454758
 C   0.12955052   1.78802383   1.49717156
 C   0.91512882   2.67428507   0.75662990
 C  -0.61705693   0.79695879   0.85498921
 C   0.23417132   1.57987701  -1.29722427
 C  -0.56005729   0.72688934  -0.53459625
 H   1.59504429   3.24842545  -1.21668964
 H   0.09143971   1.86255894   2.58692106
 H   1.49000859   3.45097754   1.26626282
 H  -1.22512207   0.08991272   1.42180644
 H   0.26469090   1.48919878  -2.38468449
 H   0.48338990  -1.57014974  -1.13862921
Br  -1.58647096  -0.65306583  -1.43026215
Al  -0.27464995  -4.10972140   0.18439189
Br  -1.81229302  -4.24764979  -1.51552658
Br   1.64340352  -2.41568214  -0.74950781
Br  -0.83739779  -2.94039161   2.07758520
Br   1.04943747  -5.94418599   0.43228516
 18
 Energy -13343.58010067 Gradient 0.00192313
 C   0.97451224   2.57640075  -0.63211861
 C   0.13103717   1.79819991   1.49910309
 C   0.92793269   2.67576691   0.76040166
 C  -0.62972479   0.81909859   0.85467307
 C   0.21983240   1.60615460  -1.29709715
 C  -0.57360057   0.75257146  -0.53485603
 H   1.60123404   3.25773500  -1.21313414
 H   0.09943809   1.86630312   2.58931854
 H   1.51972099   3.43825599   1.27260711
 H  -1.23953238   0.11273830   1.42058347
 H   0.24665923   1.51950717  -2.38498125
 H   0.42698669  -1.64201774  -1.21833334
Br  -1.57040705  -0.64960897  -1.43020182
Al  -0.26553850  -4.11735984   0.18864296
Br  -1.80837336  -4.24865076  -1.51329021
Br   1.62192828  -2.41810568  -0.75735766
Br  -0.84120499  -2.94405427   2.07689991
Br   1.05608928  -5.95275746   0.43678212
 18
 Energy -13343.58089826 Gradient 0.00113876
 C   0.97300548   2.59608902  -0.62869460
 C   0.13150141   1.81192104   1.50129686
 C   0.93470686   2.68555553   0.76476921
 C  -0.63611483   0.83969158   0.85442536
 C   0.21124034   1.63315605  -1.29631329
 C  -0.57877582   0.77580912  -0.53508464
 H   1.60110662   3.27729533  -1.20815439
 H   0.10281908   1.87535318   2.59195539
 H   1.53620800   3.43863634   1.27928250
 H  -1.24650012   0.13265732   1.41893956
 H   0.23568240   1.55064788  -2.38451639
 H   0.38942502  -1.63491968  -1.20441685
Br  -1.55161055  -0.64391963  -1.43091231
Al  -0.25652541  -4.12570652   0.19203399
Br  -1.80259144  -4.25021427  -1.50939032
Br   1.59356534  -2.42148073  -0.76908693
Br  -0.84601889  -2.94989720   2.07612704
Br   1.06425644  -5.96326353   0.44302521
 18
 Energy -13343.5815564 Gradient 0.00092819
 C   0.96954797   2.61990430  -0.62482087
 C   0.13125825   1.82765216   1.50365751
 C   0.93351261   2.70373731   0.76902504
 C  -0.63492621   0.85562840   0.85456533
 C   0.20917267   1.65749190  -1.29489921
 C  -0.57637116   0.79515814  -0.53492818
 H   1.59596115   3.30408233  -1.20272824
 H   0.10352967   1.88763223   2.59442789
 H   1.53568157   3.45511434   1.28546210
 H  -1.24242916   0.14480247   1.41755129
 H   0.23372853   1.57759225  -2.38328147
 H   0.34685438  -1.64323020  -1.20837529
Br  -1.53403966  -0.63530586  -1.43214589
Al  -0.24781416  -4.13400412   0.19497286
Br  -1.79693918  -4.25263441  -1.50513845
Br   1.56521109  -2.42612506  -0.78176757
Br  -0.85111223  -2.95755499   2.07568911
Br   1.07259487  -5.97326431   0.45013833
 18
 Energy -13343.58210602 Gradient 0.00077357
 C   0.96392053   2.64725401  -0.62087165
 C   0.13078180   1.84513874   1.50609592
 C   0.92752133   2.72768653   0.77319464
 C  -0.62884463   0.86918533   0.85513061
 C   0.20982078   1.68124846  -1.29307340
 C  -0.56893265   0.81189805  -0.53435378
 H   1.58574235   3.33671626  -1.19730675
 H   0.10249761   1.90286141   2.59703049
 H   1.52503425   3.48157806   1.29120127
 H  -1.23151431   0.15306590   1.41667449
 H   0.23495073   1.60373986  -2.38157437
 H   0.31543958  -1.64242263  -1.20800242
Br  -1.51819922  -0.62349353  -1.43418652
Al  -0.24054326  -4.14269221   0.19778457
Br  -1.79217337  -4.25639383  -1.50091666
Br   1.53922011  -2.43265840  -0.79531735
Br  -0.85646290  -2.96702477   2.07592063
Br   1.08105505  -5.98242105   0.45806679
 18
 Energy -13343.58256557 Gradient 0.00063719
 C   0.95596562   2.67800138  -0.61685335
 C   0.13079474   1.86367332   1.50866481
 C   0.91879228   2.75532437   0.77733535
 C  -0.61991377   0.88195080   0.85587288
 C   0.21063136   1.70655713  -1.29108710
 C  -0.55991102   0.82884656  -0.53373363
 H   1.57134003   3.37439062  -1.19195915
 H   0.10228077   1.91877865   2.59965952
 H   1.50905738   3.51401214   1.29678540
 H  -1.21604886   0.15921596   1.41603058
 H   0.23598511   1.63183502  -2.37976064
 H   0.28962948  -1.64567483  -1.21245336
Br  -1.50442362  -0.60826508  -1.43708153
Al  -0.23532667  -4.15224990   0.20046354
Br  -1.78887328  -4.26205374  -1.49687263
Br   1.51768771  -2.44148707  -0.80918316
Br  -0.86198340  -2.97826811   2.07686158
Br   1.08944033  -5.99020693   0.46665498
 18
 Energy -13343.58295108 Gradient 0.00052964
 C   0.94566254   2.71151955  -0.61259842
 C   0.13153011   1.88214597   1.51136125
 C   0.90877706   2.78464610   0.78182189
 C  -0.60969060   0.89454864   0.85647023
 C   0.20979897   1.73432544  -1.28901579
 C  -0.55104072   0.84674832  -0.53338297
 H   1.55300186   3.41599487  -1.18628764
 H   0.10353603   1.93375619   2.60257690
 H   1.49100029   3.54835591   1.30286396
 H  -1.19831143   0.16445222   1.41512685
 H   0.23430845   1.66352517  -2.37794749
 H   0.27508569  -1.64584723  -1.21530888
Br  -1.49254909  -0.59007110  -1.44090970
Al  -0.23295520  -4.16282188   0.20308705
Br  -1.78740809  -4.26963327  -1.49313538
Br   1.50129904  -2.45239696  -0.82276645
Br  -0.86734813  -2.99064681   2.07832901
Br   1.09767386  -5.99677298   0.47560400
 18
 Energy -13343.58328171 Gradient 0.00044940
 C   0.93315049   2.74685533  -0.60833897
 C   0.13347964   1.89988286   1.51418539
 C   0.89852407   2.81417703   0.78642696
 C  -0.59865902   0.90692328   0.85709836
 C   0.20616279   1.76458995  -1.28703450
 C  -0.54335187   0.86598636  -0.53312425
 H   1.53135530   3.46028112  -1.18063301
 H   0.10758675   1.94673573   2.60562637
 H   1.47308540   3.58256603   1.30919193
 H  -1.17871341   0.16872370   1.41417971
 H   0.22831086   1.69887564  -2.37633037
 H   0.26628697  -1.64749756  -1.21866959
Br  -1.48193094  -0.56999499  -1.44544665
Al  -0.23265349  -4.17396437   0.20541467
Br  -1.78784441  -4.27892305  -1.48961132
Br   1.48940187  -2.46476191  -0.83542789
Br  -0.87230333  -3.00339196   2.07997005
Br   1.10550501  -6.00226200   0.48447035
 18
 Energy -13343.58356965 Gradient 0.00038945
 C   0.91823629   2.78388424  -0.60387111
 C   0.13679371   1.91627251   1.51706717
 C   0.88803218   2.84356185   0.79134551
 C  -0.58650978   0.91847855   0.85745576
 C   0.19997187   1.79689421  -1.28509734
 C  -0.53638306   0.88577103  -0.53321940
 H   1.50576888   3.50730175  -1.17459981
 H   0.11442009   1.95712739   2.60884937
 H   1.45519486   3.61607797   1.31602976
 H  -1.15666964   0.17129232   1.41285811
 H   0.21826002   1.73762980  -2.37481702
 H   0.26368733  -1.64764258  -1.22110917
Br  -1.47167727  -0.54915913  -1.45051531
Al  -0.23356069  -4.18477061   0.20716159
Br  -1.78981213  -4.28972077  -1.48612076
Br   1.48047644  -2.47774862  -0.84685759
Br  -0.87683124  -3.01604948   2.08159532
Br   1.11272412  -6.00691659   0.49287893
 18
 Energy -13343.5838186 Gradient 0.00033924
 C   0.90111020   2.82213243  -0.59894623
 C   0.14129895   1.93116163   1.52015677
 C   0.87699647   2.87262415   0.79674906
 C  -0.57317387   0.92885548   0.85765743
 C   0.19161005   1.83080052  -1.28305852
 C  -0.52994266   0.90603747  -0.53347723
 H   1.47674493   3.55645920  -1.16791812
 H   0.12388599   1.96467884   2.61225255
 H   1.43683249   3.64904621   1.32359327
 H  -1.13223844   0.17171268   1.41099122
 H   0.20477544   1.77907988  -2.37322709
 H   0.26283816  -1.64832633  -1.22343393
Br  -1.46096939  -0.52833415  -1.45609433
Al  -0.23551055  -4.19556528   0.20886745
Br  -1.79298266  -4.30176843  -1.48251054
Br   1.47331457  -2.49077007  -0.85704041
Br  -0.88089670  -3.02800938   2.08301836
Br   1.11929785  -6.01100738   0.50049032
 18
 Energy -13343.58403924 Gradient 0.00029634
 C   0.88171231   2.86137525  -0.59356341
 C   0.14735907   1.94442156   1.52337311
 C   0.86568064   2.90120643   0.80259320
 C  -0.55833160   0.93790371   0.85779906
 C   0.18107207   1.86583106  -1.28073073
 C  -0.52387068   0.92620267  -0.53376626
 H   1.44386587   3.60754745  -1.16055934
 H   0.13629186   1.96956285   2.61580656
 H   1.41815323   3.68123310   1.33181899
 H  -1.10485477   0.17002937   1.40896360
 H   0.18785809   1.82260093  -2.37131631
 H   0.26402858  -1.64829098  -1.22478880
Br  -1.44957358  -0.50783720  -1.46218010
Al  -0.23778778  -4.20596750   0.21029636
Br  -1.79709625  -4.31494425  -1.47847600
Br   1.46707340  -2.50346615  -0.86611763
Br  -0.88459000  -3.03892747   2.08416909
Br   1.12525093  -6.01491673   0.50722616
 18
 Energy -13343.58422995 Gradient 0.00025678
 C   0.85965676   2.90150310  -0.58760010
 C   0.15490089   1.95568941   1.52668440
 C   0.85367877   2.92908997   0.80892267
 C  -0.54163624   0.94499697   0.85768887
 C   0.16806545   1.90199002  -1.27817328
 C  -0.51752543   0.94581029  -0.53416040
 H   1.40660266   3.66062291  -1.15231257
 H   0.15167201   1.97132495   2.61931973
 H   1.39867649   3.71260994   1.34078420
 H  -1.07401407   0.16532991   1.40627114
 H   0.16679478   1.86846967  -2.36910647
 H   0.26584753  -1.64841798  -1.22667623
Br  -1.43748418  -0.48793263  -1.46878125
Al  -0.24037270  -4.21582580   0.21162156
Br  -1.80180271  -4.32892831  -1.47411819
Br   1.46150832  -2.51572537  -0.87407155
Br  -0.88789441  -3.04875135   2.08511011
Br   1.13050775  -6.01862204   0.51311004
 18
 Energy -13343.58439661 Gradient 0.00022497
 C   0.83426134   2.94244180  -0.58093361
 C   0.16440406   1.96426326   1.52992963
 C   0.84082679   2.95596250   0.81580691
 C  -0.52260183   0.94957116   0.85709871
 C   0.15219371   1.93901576  -1.27532795
 C  -0.51141067   0.96470968  -0.53487302
 H   1.36362197   3.71593156  -1.14287324
 H   0.17088661   1.96893798   2.62268100
 H   1.37796603   3.74284717   1.35063636
 H  -1.03856698   0.15684074   1.40272118
 H   0.14116302   1.91658469  -2.36646655
 H   0.26735887  -1.64979920  -1.22891876
Br  -1.42486804  -0.46892600  -1.47604049
Al  -0.24306949  -4.22531715   0.21310258
Br  -1.80696904  -4.34335426  -1.46945429
Br   1.45647937  -2.52727898  -0.88088636
Br  -0.89075564  -3.05728382   2.08588525
Br   1.13525335  -6.02223609   0.51820115
 18
 Energy -13343.58454291 Gradient 0.00019462
 C   0.80594407   2.98351053  -0.57324114
 C   0.17602814   1.96986958   1.53317027
 C   0.82751737   2.98120589   0.82340233
 C  -0.50145393   0.95155883   0.85606591
 C   0.13334106   1.97665415  -1.27189080
 C  -0.50579885   0.98294060  -0.53569390
 H   1.31596450   3.77225032  -1.13187067
 H   0.19427408   1.96219451   2.62575104
 H   1.35687604   3.77113328   1.36156016
 H  -0.99910384   0.14467985   1.39809067
 H   0.11062213   1.96659077  -2.36302646
 H   0.27153393  -1.64813549  -1.22959357
Br  -1.41178799  -0.45083999  -1.48398722
Al  -0.24575884  -4.23417561   0.21446245
Br  -1.81235385  -4.35772402  -1.46436878
Br   1.45191312  -2.53846348  -0.88676830
Br  -0.89331870  -3.06457068   2.08635226
Br   1.13937860  -6.02568435   0.52265887
 18
 Energy -13343.58466585 Gradient 0.00017217
 C   0.77475127   3.02441013  -0.56407611
 C   0.18953472   1.97253662   1.53642806
 C   0.81378903   3.00461710   0.83205329
 C  -0.47836298   0.95108566   0.85450585
 C   0.11178217   2.01447724  -1.26753380
 C  -0.50035609   1.00008437  -0.53659839
 H   1.26334305   3.82945432  -1.11857303
 H   0.22127947   1.95131482   2.62853559
 H   1.33534056   3.79712510   1.37396013
 H  -0.95601396   0.12922325   1.39217550
 H   0.07566494   2.01801762  -2.35833633
 H   0.27574854  -1.64761973  -1.23090643
Br  -1.39823288  -0.43367935  -1.49260799
Al  -0.24867787  -4.24237648   0.21585672
Br  -1.81805756  -4.37141883  -1.45915684
Br   1.44792880  -2.54942725  -0.89200023
Br  -0.89527991  -3.07081553   2.08686763
Br   1.14263148  -6.02899770   0.52648411
 18
 Energy -13343.58477837 Gradient 0.00014849
 C   0.74083943   3.06457295  -0.55328918
 C   0.20464185   1.97234345   1.53966759
 C   0.79932830   3.02606420   0.84176442
 C  -0.45344240   0.94805680   0.85238182
 C   0.08776820   2.05194777  -1.26209538
 C  -0.49523730   1.01604485  -0.53748863
 H   1.20633061   3.88652732  -1.10283486
 H   0.25155263   1.93651337   2.63083855
 H   1.31287089   3.82094414   1.38789229
 H  -0.90939931   0.11059607   1.38496832
 H   0.03672364   2.07001068  -2.35214797
 H   0.27977583  -1.64776792  -1.23298344
Br  -1.38441832  -0.41745142  -1.50209981
Al  -0.25142310  -4.24994599   0.21734997
Br  -1.82379758  -4.38472247  -1.45378764
Br   1.44442946  -2.55977595  -0.89678534
Br  -0.89680429  -3.07569956   2.08720951
Br   1.14514024  -6.03237232   0.53019256
 18
 Energy -13343.58486787 Gradient 0.00012864
 C   0.70456414   3.10340913  -0.54038795
 C   0.22137531   1.96874595   1.54283544
 C   0.78464369   3.04474311   0.85288930
 C  -0.42700793   0.94233730   0.84946269
 C   0.06128505   2.08878454  -1.25528364
 C  -0.49049261   1.03059710  -0.53845046
 H   1.14532892   3.94288123  -1.08379987
 H   0.28497158   1.91730643   2.63255070
 H   1.29030187   3.84133960   1.40380095
 H  -0.85985238   0.08873956   1.37591609
 H  -0.00625671   2.12245920  -2.34405774
 H   0.28434537  -1.64784714  -1.23549966
Br  -1.37057505  -0.40223491  -1.51248086
Al  -0.25417975  -4.25680737   0.21893363
Br  -1.82949801  -4.39736033  -1.44824274
Br   1.44138848  -2.56960471  -0.90137063
Br  -0.89766030  -3.07913747   2.08739305
Br   1.14682534  -6.03560576   0.53388468
 18
 Energy -13343.5849593 Gradient 0.00010971
 C   0.66610294   3.14036231  -0.52497721
 C   0.23914332   1.96187378   1.54613441
 C   0.76930821   3.06052932   0.86572480
 C  -0.39938998   0.93392546   0.84586018
 C   0.03272855   2.12441317  -1.24677834
 C  -0.48613412   1.04351883  -0.53928392
 H   1.08089978   3.99761566  -1.06104623
 H   0.32064042   1.89395186   2.63375370
 H   1.26701048   3.85838092   1.42207213
 H  -0.80791525   0.06391723   1.36502081
 H  -0.05244458   2.17443831  -2.33368397
 H   0.28895605  -1.64828426  -1.23888638
Br  -1.35669269  -0.38808405  -1.52378097
Al  -0.25676314  -4.26254869   0.22070355
Br  -1.83526646  -4.40911793  -1.44232705
Br   1.43874103  -2.57907386  -0.90607544
Br  -0.89770996  -3.08126588   2.08727231
Br   1.14778241  -6.03847572   0.53758480
 18
 Energy -13343.5850183 Gradient 0.00009316
 C   0.62607609   3.17478113  -0.50685286
 C   0.25769031   1.95171720   1.54953105
 C   0.75376388   3.07297452   0.88036497
 C  -0.37124374   0.92303409   0.84161933
 C   0.00244617   2.15826012  -1.23631660
 C  -0.48237068   1.05463941  -0.53985567
 H   1.01389631   4.04984961  -1.03422439
 H   0.35800661   1.86676933   2.63437993
 H   1.24368707   3.87138577   1.44275826
 H  -0.75486726   0.03672798   1.35237205
 H  -0.10134449   2.22533416  -2.32067421
 H   0.29376600  -1.64866803  -1.24342007
Br  -1.34306264  -0.37505299  -1.53590958
Al  -0.25894087  -4.26754036   0.22209870
Br  -1.84099559  -4.42058225  -1.43635753
Br   1.43647661  -2.58801873  -0.91138075
Br  -0.89753655  -3.08151656   2.08714797
Br   1.14866159  -6.04068734   0.54177755
 18
 Energy -13343.58507382 Gradient 0.00007777
 C   0.58536959   3.20612982  -0.48507151
 C   0.27560421   1.93818184   1.55369669
 C   0.73748258   3.08168237   0.89784064
 C  -0.34359702   0.90974763   0.83685405
 C  -0.02838710   2.19009547  -1.22350013
 C  -0.47915899   1.06407423  -0.54009196
 H   0.94632500   4.09868812  -1.00212774
 H   0.39473053   1.83563592   2.63512416
 H   1.21956204   3.87988800   1.46727272
 H  -0.70238622   0.00737434   1.33763687
 H  -0.15072157   2.27467167  -2.30469479
 H   0.29885107  -1.64963903  -1.24937089
Br  -1.32960555  -0.36270415  -1.54923203
Al  -0.26157891  -4.27194471   0.22387876
Br  -1.84663641  -4.43022427  -1.43054555
Br   1.43447140  -2.59700774  -0.91738127
Br  -0.89627676  -3.08081871   2.08729542
Br   1.14902764  -6.04246243   0.54606918
 18
 Energy -13343.58511622 Gradient 0.00006019
 C   0.54510805   3.23365870  -0.45935933
 C   0.29034601   1.92220318   1.55928187
 C   0.71976182   3.08677757   0.91866583
 C  -0.31883341   0.89491567   0.83219222
 C  -0.05841538   2.21901495  -1.20807069
 C  -0.47671098   1.07164544  -0.53966465
 H   0.88030220   4.14287954  -0.96458844
 H   0.42666529   1.80222793   2.63688385
 H   1.19378200   3.88400212   1.49618061
 H  -0.65406433  -0.02250512   1.32198688
 H  -0.19778592   2.32102384  -2.28568918
 H   0.30447522  -1.65084019  -1.25665246
Br  -1.31581408  -0.35123402  -1.56389160
Al  -0.26379488  -4.27506352   0.22546934
Br  -1.85278691  -4.43931082  -1.42394136
Br   1.43304551  -2.60611720  -0.92455076
Br  -0.89339282  -3.07783354   2.08683187
Br   1.14836621  -6.04386505   0.55076508
 18
 Energy -13343.58514685 Gradient 0.00004601
 C   0.50865697   3.25548410  -0.42965469
 C   0.29891544   1.90374802   1.56743744
 C   0.70065371   3.08715237   0.94360267
 C  -0.29991678   0.87890387   0.82840578
 C  -0.08435971   2.24355171  -1.19034148
 C  -0.47505302   1.07714457  -0.53837893
 H   0.82203626   4.17951469  -0.92184786
 H   0.44854484   1.76704451   2.64128255
 H   1.16639557   3.88238498   1.53051272
 H  -0.61507972  -0.05231214   1.30554409
 H  -0.23678273   2.36220225  -2.26447555
 H   0.30950274  -1.65235915  -1.26597833
Br  -1.30215158  -0.34049711  -1.57982086
Al  -0.26549384  -4.27713031   0.22715343
Br  -1.85942841  -4.44903474  -1.41611882
Br   1.43146028  -2.61518702  -0.93428548
Br  -0.88872877  -3.07125527   2.08532808
Br   1.14755855  -6.04450551   0.55668764
 18
 Energy -13343.58516978 Gradient 0.00003305
 C   0.47745323   3.27113399  -0.39694911
 C   0.30159306   1.88283692   1.57813355
 C   0.68125213   3.08258858   0.97197379
 C  -0.28698545   0.86172328   0.82577950
 C  -0.10508025   2.26319979  -1.17094735
 C  -0.47381907   1.08020337  -0.53633882
 H   0.77333933   4.20807691  -0.87537141
 H   0.46015008   1.73030252   2.64856223
 H   1.13873568   3.87485011   1.56930922
 H  -0.58630034  -0.08135286   1.28981715
 H  -0.26639666   2.39770367  -2.24191474
 H   0.31386881  -1.65441732  -1.27749744
Br  -1.28941395  -0.33042711  -1.59640941
Al  -0.26664312  -4.27802056   0.22861658
Br  -1.86687908  -4.45819996  -1.40701270
Br   1.42952634  -2.62456824  -0.94678397
Br  -0.88222014  -3.06233288   2.08317232
Br   1.14715609  -6.04384912   0.56342862
 18
 Energy -13343.58518981 Gradient 0.00002410
 C   0.45640044   3.27945062  -0.36438736
 C   0.29251988   1.86282774   1.59145725
 C   0.66124679   3.07422629   1.00197302
 C  -0.28623420   0.84660812   0.82497178
 C  -0.11596255   2.27662890  -1.15247882
 C  -0.47395652   1.08174211  -0.53418929
 H   0.74363631   4.22557126  -0.82984700
 H   0.45171611   1.69721236   2.65984925
 H   1.11090365   3.86255683   1.61035353
 H  -0.57761831  -0.10504619   1.27645891
 H  -0.27778045   2.42412739  -2.22165009
 H   0.31767542  -1.65646786  -1.28986782
Br  -1.27706097  -0.32098735  -1.61447020
Al  -0.26750224  -4.27803651   0.23046275
Br  -1.87496315  -4.46654065  -1.39662298
Br   1.42736380  -2.63354533  -0.96024514
Br  -0.87417376  -3.05259417   2.08176723
Br   1.14730990  -6.04228495   0.56960382
 18
 Energy -13343.58520118 Gradient 0.00001724
 C   0.44504195   3.28228677  -0.33394287
 C   0.27240289   1.84475403   1.60577454
 C   0.64033018   3.06378864   1.03179116
 C  -0.29614165   0.83409151   0.82441865
 C  -0.11684006   2.28527000  -1.13676340
 C  -0.47437106   1.08253413  -0.53359914
 H   0.73163080   4.23443231  -0.78736897
 H   0.42409947   1.66860815   2.67357357
 H   1.08180123   3.84770906   1.65175157
 H  -0.58686992  -0.12328496   1.26415537
 H  -0.27112657   2.44322146  -2.20556071
 H   0.32042354  -1.65863221  -1.30259911
Br  -1.26483578  -0.31131325  -1.63477793
Al  -0.26806932  -4.27788027   0.23316178
Br  -1.88357750  -4.47423613  -1.38448009
Br   1.42437439  -2.64197701  -0.97326512
Br  -0.86515487  -3.04331795   2.08173690
Br   1.14840867  -6.04033015   0.57502836
 18
 Energy -13343.58520659 Gradient 0.00001074
 C   0.43920369   3.28237212  -0.31094442
 C   0.24648683   1.83038989   1.61602592
 C   0.61948183   3.05402690   1.05523771
 C  -0.31232389   0.82500665   0.82099795
 C  -0.11263524   2.29075518  -1.12731928
 C  -0.47563103   1.08329320  -0.53699701
 H   0.72981157   4.23810491  -0.75415551
 H   0.38650162   1.64637288   2.68410182
 H   1.05319191   3.83378124   1.68584025
 H  -0.60670876  -0.13574089   1.25084947
 H  -0.25521946   2.45648727  -2.19655804
 H   0.32219074  -1.66089686  -1.31519356
Br  -1.25353351  -0.30253419  -1.65729695
Al  -0.26827774  -4.27746630   0.23751007
Br  -1.89335843  -4.48013485  -1.36928495
Br   1.42081061  -2.64950009  -0.98479284
Br  -0.85411271  -3.03627168   2.08540405
Br   1.15038907  -6.03835572   0.57892713
