 20
 Energy -18491.19884314 Gradient 0.00001686
 C  -2.07090647  -1.36261665   2.09731268
 C  -2.22220061   0.47207273   0.50090069
 C  -2.62068981  -0.13956653   1.69899303
 C  -1.27631073  -0.14162568  -0.31010658
 C  -1.12210345  -1.98872200   1.29289628
 C  -0.71166045  -1.38043301   0.08022162
 H  -2.38733788  -1.82686281   3.03405623
 H  -2.65884351   1.42869891   0.20511746
 H  -3.36808157   0.34775176   2.33089724
 H  -0.96177875   0.30699654  -1.25542556
 H  -0.69489037  -2.95157655   1.58246334
 H  -0.08404103  -1.92730665  -0.62877258
Br   1.45984012  -0.47129460   1.14673299
Al   4.43190567   1.96291411   0.04916976
Br   4.95935762   0.59822076  -1.77581913
Br   2.33137453  -0.21454381  -2.92039683
Br   0.23726950  -0.97575523  -3.86767151
Br   3.70172041   0.40539231   1.89828623
Br   2.74267611   3.45117573  -0.29880815
Br   6.31233870   2.60873110   1.21153126
 20
 Energy -18491.19884447 Gradient 0.00001718
 C  -2.07893135  -1.34989149   2.10225431
 C  -2.22551953   0.48681722   0.50769097
 C  -2.62349616  -0.12359584   1.70652099
 C  -1.28543008  -0.13140061  -0.30671455
 C  -1.13596572  -1.98039952   1.29449589
 C  -0.72612914  -1.37347228   0.08097116
 H  -2.39493370  -1.81309398   3.03967485
 H  -2.65791928   1.44601338   0.21401492
 H  -3.36629436   0.36719771   2.34115757
 H  -0.97122835   0.31622908  -1.25263796
 H  -0.71281187  -2.94562303   1.58217062
 H  -0.10375195  -1.92305703  -0.63058589
Br   1.45363108  -0.47260352   1.13809332
Al   4.43155311   1.96526700   0.04779850
Br   4.96484225   0.61752593  -1.78812345
Br   2.33799585  -0.21430014  -2.91919469
Br   0.24316840  -0.99110301  -3.85246803
Br   3.70143443   0.39338957   1.88440454
Br   2.74202576   3.45437010  -0.29074787
Br   6.31010961   2.60246534   1.21823317
 20
 Energy -18491.19882326 Gradient 0.00001914
 C  -2.08768275  -1.34041278   2.10617520
 C  -2.22969479   0.50130166   0.51697116
 C  -2.62730092  -0.11029213   1.71521345
 C  -1.29500468  -0.11960906  -0.30168335
 C  -1.15019160  -1.97347333   1.29420981
 C  -0.74081717  -1.36549871   0.08111326
 H  -2.40336716  -1.80444886   3.04328715
 H  -2.65799910   1.46346966   0.22704858
 H  -3.36583339   0.38247679   2.35327985
 H  -0.98102463   0.32895748  -1.24722330
 H  -0.73091731  -2.94144920   1.57828824
 H  -0.12363715  -1.91632084  -0.63403312
Br   1.44698589  -0.47329241   1.12881382
Al   4.43191338   1.96766323   0.04604901
Br   4.97078473   0.63716806  -1.80083361
Br   2.34496458  -0.21429377  -2.91787017
Br   0.24911391  -1.00703421  -3.83574636
Br   3.70101259   0.38110689   1.86975615
Br   2.74129807   3.45864238  -0.28303642
Br   6.30803480   2.59607270   1.22529617
 20
 Energy -18491.19880235 Gradient 0.00002159
 C  -2.09594152  -1.33516856   2.10909060
 C  -2.23595588   0.51415388   0.52852530
 C  -2.63209990  -0.10118659   1.72524371
 C  -1.30627607  -0.10690802  -0.29582804
 C  -1.16350821  -1.96822778   1.29145786
 C  -0.75567013  -1.35661479   0.07972434
 H  -2.41048815  -1.80204465   3.04518662
 H  -2.66136284   1.47927500   0.24422270
 H  -3.36666973   0.39157910   2.36787944
 H  -0.99333710   0.34459369  -1.24032594
 H  -0.74689829  -2.93893396   1.57009584
 H  -0.14326825  -1.90661461  -0.64020753
Br   1.43947628  -0.47231749   1.11874963
Al   4.43236733   1.97002974   0.04412752
Br   4.97654870   0.65546601  -1.81265988
Br   2.35190647  -0.21457354  -2.91538447
Br   0.25542192  -1.02256855  -3.81875230
Br   3.69948093   0.37036871   1.85536195
Br   2.74248708   3.46367853  -0.27658672
Br   6.30640946   2.58858634   1.23198759
 20
 Energy -18491.19879547 Gradient 0.00002328
 C  -2.10348411  -1.33444186   2.11194535
 C  -2.24390055   0.52561134   0.54403639
 C  -2.63744777  -0.09633638   1.73808278
 C  -1.31907785  -0.09298260  -0.28770126
 C  -1.17596194  -1.96490397   1.28691509
 C  -0.77080820  -1.34674495   0.07766766
 H  -2.41601306  -1.80639603   3.04616339
 H  -2.66737179   1.49386221   0.26759351
 H  -3.36818415   0.39436937   2.38662497
 H  -1.00798553   0.36378393  -1.23026311
 H  -0.76105657  -2.93852419   1.55784118
 H  -0.16308880  -1.89381621  -0.64848463
Br   1.43120638  -0.47066709   1.10853336
Al   4.43312463   1.97221317   0.04200079
Br   4.98271723   0.67293731  -1.82408025
Br   2.35937699  -0.21490659  -2.91280540
Br   0.26188041  -1.03736008  -3.80122696
Br   3.69653896   0.36135887   1.84112122
Br   2.74436078   3.46859938  -0.27154654
Br   6.30548906   2.58063786   1.23805364
 20
 Energy -18491.19877754 Gradient 0.00002659
 C  -2.10824066  -1.33719088   2.11396935
 C  -2.25441506   0.53708436   0.56361161
 C  -2.64249899  -0.09506496   1.75408962
 C  -1.33484848  -0.07533894  -0.27849827
 C  -1.18595616  -1.96143785   1.27839334
 C  -0.78638283  -1.33306884   0.07260315
 H  -2.41647379  -1.81708867   3.04557673
 H  -2.67798532   1.50836602   0.29816770
 H  -3.36910680   0.39075839   2.41090235
 H  -1.02783965   0.38961534  -1.21839643
 H  -0.77090221  -2.93796691   1.53839475
 H  -0.18338635  -1.87408409  -0.66205482
Br   1.42277434  -0.46831933   1.09862290
Al   4.43381607   1.97455875   0.03916721
Br   4.98908247   0.69047120  -1.83564620
Br   2.36707167  -0.21565994  -2.91017313
Br   0.26862310  -1.05256509  -3.78313022
Br   3.69370419   0.35216767   1.82668227
Br   2.74630652   3.47382309  -0.26702753
Br   6.30393875   2.57247915   1.24421526
 20
 Energy -18491.19876078 Gradient 0.00003026
 C  -2.11410219  -1.34371772   2.11455188
 C  -2.26322458   0.55101173   0.58955380
 C  -2.64727687  -0.09576314   1.77334437
 C  -1.34889230  -0.05254903  -0.26466073
 C  -1.19692513  -1.95892393   1.26689407
 C  -0.80146502  -1.31590711   0.06756317
 H  -2.41925976  -1.83503355   3.04120378
 H  -2.68577831   1.52661121   0.33874982
 H  -3.36982339   0.38298622   2.43975085
 H  -1.04513478   0.42412788  -1.19971734
 H  -0.78263148  -2.93951974   1.51241814
 H  -0.20335514  -1.84849481  -0.67727126
Br   1.41452269  -0.46305317   1.08852614
Al   4.43472536   1.97632070   0.03740754
Br   4.99352659   0.70626069  -1.84591954
Br   2.37333558  -0.21773219  -2.90860618
Br   0.27498124  -1.06874147  -3.76802789
Br   3.69134360   0.34378676   1.81386304
Br   2.74897927   3.47909792  -0.26124248
Br   6.30432522   2.56404726   1.24845833
 20
 Energy -18491.19873901 Gradient 0.00003508
 C  -2.12069620  -1.35380789   2.11495310
 C  -2.27130147   0.56625498   0.62205111
 C  -2.65219191  -0.09896732   1.79645187
 C  -1.36191714  -0.02570475  -0.24568061
 C  -1.20865622  -1.95727011   1.25364706
 C  -0.81645963  -1.29583444   0.06335923
 H  -2.42335913  -1.85941481   3.03472364
 H  -2.69213647   1.54700696   0.38910387
 H  -3.37075599   0.37051782   2.47367548
 H  -1.06031163   0.46619692  -1.17349463
 H  -0.79559986  -2.94265420   1.48146479
 H  -0.22339936  -1.81776059  -0.69305926
Br   1.40590980  -0.45621635   1.07889404
Al   4.43628707   1.97820131   0.03618444
Br   4.99668922   0.72090710  -1.85535696
Br   2.37900478  -0.22069686  -2.90843026
Br   0.28163668  -1.08597583  -3.75650771
Br   3.68870557   0.33573423   1.80172638
Br   2.75270797   3.48504324  -0.25490729
Br   6.30560960   2.55586590   1.25257130
 20
 Energy -18491.19871149 Gradient 0.00003933
 C  -2.12463868  -1.36614221   2.11524542
 C  -2.28122513   0.58036718   0.65766724
 C  -2.65633288  -0.10512762   1.82211800
 C  -1.37751526   0.00260581  -0.22554743
 C  -1.21826504  -1.95527783   1.23830892
 C  -0.83196076  -1.27349731   0.05769243
 H  -2.42279026  -1.88760059   3.02761256
 H  -2.70193280   1.56568293   0.44461493
 H  -3.37042773   0.35312119   2.51165240
 H  -1.08026578   0.51112233  -1.14576187
 H  -0.80509755  -2.94498397   1.44633870
 H  -0.24419429  -1.78271566  -0.71152587
Br   1.39751136  -0.44900146   1.06981862
Al   4.43757860   1.98007286   0.03446354
Br   5.00012328   0.73438035  -1.86405887
Br   2.38545093  -0.22380807  -2.90847753
Br   0.28991971  -1.10238508  -3.74730665
Br   3.68591235   0.32858070   1.79008359
Br   2.75539926   3.48987775  -0.24943005
Br   6.30518849   2.54839157   1.25794569
 20
 Energy -18491.1986809 Gradient 0.00004346
 C  -2.12806234  -1.38039733   2.11452920
 C  -2.29075617   0.59491937   0.69691627
 C  -2.66005746  -0.11319959   1.84953973
 C  -1.39270045   0.03373351  -0.20272660
 C  -1.22737785  -1.95288582   1.22098396
 C  -0.84697088  -1.24836773   0.05187853
 H  -2.42166788  -1.91953142   3.01806435
 H  -2.71142462   1.58475759   0.50589549
 H  -3.36969945   0.33195455   2.55211966
 H  -1.09992201   0.56070675  -1.11392876
 H  -0.81396316  -2.94685176   1.40706506
 H  -0.26470952  -1.74307043  -0.73101174
Br   1.38921157  -0.44077250   1.06119512
Al   4.43818390   1.98133133   0.03362408
Br   5.00338768   0.74659123  -1.87125292
Br   2.39226449  -0.22730256  -2.90893030
Br   0.29899981  -1.11827835  -3.74032753
Br   3.68354440   0.32097259   1.77962037
Br   2.75653292   3.49302832  -0.24407432
Br   6.30459473   2.54294991   1.26181742
 20
 Energy -18491.19864586 Gradient 0.00004639
 C  -2.13084117  -1.39524335   2.11294810
 C  -2.29998167   0.60950091   0.73804162
 C  -2.66309754  -0.12219817   1.87772082
 C  -1.40788348   0.06623373  -0.17845392
 C  -1.23616018  -1.94974583   1.20233121
 C  -0.86196235  -1.22148768   0.04588670
 H  -2.41962179  -1.95282388   3.00679591
 H  -2.72059486   1.60357503   0.57034553
 H  -3.36800014   0.30884639   2.59373656
 H  -1.11983778   0.61248122  -1.07975292
 H  -0.82261118  -2.94772714   1.36514782
 H  -0.28540550  -1.70054200  -0.75097161
Br   1.38080336  -0.43207011   1.05311460
Al   4.43861804   1.98236935   0.03325437
Br   5.00638909   0.75744566  -1.87732509
Br   2.39900290  -0.23106844  -2.90961851
Br   0.30835216  -1.13358576  -3.73515487
Br   3.68084343   0.31372249   1.77025334
Br   2.75721068   3.49556722  -0.23880941
Br   6.30469508   2.53801148   1.26461585
 20
 Energy -18491.19861663 Gradient 0.00004627
 C  -2.13268635  -1.41024495   2.11038804
 C  -2.30876400   0.62394099   0.78034624
 C  -2.66542924  -0.13202989   1.90610673
 C  -1.42278802   0.09994630  -0.15321177
 C  -1.24416615  -1.94549783   1.18243157
 C  -0.87652518  -1.19277949   0.03961566
 H  -2.41637655  -1.98684273   2.99374470
 H  -2.72953131   1.62173475   0.63685105
 H  -3.36552779   0.28386723   2.63566964
 H  -1.13973178   0.66595356  -1.04380753
 H  -0.83030016  -2.94701217   1.32105548
 H  -0.30588989  -1.65526352  -0.77134657
Br   1.37276778  -0.42327267   1.04576687
Al   4.43900571   1.98314587   0.03288352
Br   5.00903148   0.76768424  -1.88310645
Br   2.40556263  -0.23493390  -2.91052711
Br   0.31781275  -1.14856264  -3.73129312
Br   3.67818015   0.30719410   1.76145696
Br   2.75747763   3.49731617  -0.23349938
Br   6.30465526   2.53302599   1.26733256
 20
 Energy -18491.19858166 Gradient 0.00004608
 C  -2.13427139  -1.42465067   2.10710491
 C  -2.31713856   0.63834046   0.82319080
 C  -2.66733837  -0.14190528   1.93425096
 C  -1.43733712   0.13430668  -0.12705261
 C  -1.25202116  -1.93998445   1.16211247
 C  -0.89087918  -1.16276582   0.03374116
 H  -2.41284963  -2.02024593   2.97941384
 H  -2.73791598   1.63935288   0.70431435
 H  -3.36250675   0.25834636   2.67714709
 H  -1.15918618   0.72020314  -1.00624543
 H  -0.83807954  -2.94455538   1.27610185
 H  -0.32613981  -1.60806880  -0.79101913
Br   1.36514357  -0.41446900   1.03903825
Al   4.43907433   1.98383536   0.03255638
Br   5.01139876   0.77762520  -1.88866931
Br   2.41194565  -0.23873705  -2.91165119
Br   0.32742789  -1.16354293  -3.72822076
Br   3.67617117   0.30018643   1.75282636
Br   2.75702598   3.49862276  -0.22798832
Br   6.30437498   2.52860656   1.26975477
 20
 Energy -18491.19854648 Gradient 0.00004226
 C  -2.13609849  -1.43778779   2.10321796
 C  -2.32482073   0.65268149   0.86546915
 C  -2.66902575  -0.15116071   1.96148093
 C  -1.45132286   0.16853340  -0.10081766
 C  -1.26022198  -1.93329101   1.14184218
 C  -0.90520106  -1.13228165   0.02823037
 H  -2.40990227  -2.05192248   2.96411641
 H  -2.74525652   1.65644121   0.77088793
 H  -3.35925002   0.23348512   2.71713108
 H  -1.17786287   0.77373490  -0.96829700
 H  -0.84651580  -2.94043997   1.23149712
 H  -0.34655054  -1.56064356  -0.80972714
Br   1.35763961  -0.40611463   1.03241236
Al   4.43918981   1.98450359   0.03239268
Br   5.01352439   0.78771604  -1.89423071
Br   2.41806643  -0.24242746  -2.91261656
Br   0.33693175  -1.17844430  -3.72519463
Br   3.67434410   0.29276011   1.74394264
Br   2.75679439   3.50002917  -0.22240633
Br   6.30402305   2.52407339   1.27235033
 20
 Energy -18491.19851519 Gradient 0.00004054
 C  -2.13806123  -1.44906408   2.09891935
 C  -2.33179613   0.66732260   0.90687875
 C  -2.67025944  -0.15910732   1.98771418
 C  -1.46479203   0.20267864  -0.07469573
 C  -1.26884789  -1.92515455   1.12185066
 C  -0.91959082  -1.10130233   0.02316724
 H  -2.40725863  -2.08088210   2.94839253
 H  -2.75140301   1.67338126   0.83620733
 H  -3.35527887   0.21028922   2.75560340
 H  -1.19568470   0.82646480  -0.93028191
 H  -0.85595723  -2.93447733   1.18755157
 H  -0.36712582  -1.51301594  -0.82734661
Br   1.35020056  -0.39798989   1.02566955
Al   4.43918095   1.98492561   0.03228564
Br   5.01547288   0.79825604  -1.90012118
Br   2.42429950  -0.24613803  -2.91337056
Br   0.34654331  -1.19358519  -3.72152305
Br   3.67269548   0.28450391   1.73456011
Br   2.75647123   3.50123973  -0.21674013
Br   6.30334323   2.51981026   1.27520078
 20
 Energy -18491.1984845 Gradient 0.00003831
 C  -2.14018803  -1.45818829   2.09404895
 C  -2.33791654   0.68243082   0.94682278
 C  -2.67118937  -0.16554855   2.01250902
 C  -1.47746872   0.23682312  -0.04921245
 C  -1.27761931  -1.91534148   1.10214937
 C  -0.93370787  -1.06974636   0.01834840
 H  -2.40519126  -2.10693990   2.93201531
 H  -2.75638514   1.69033215   0.89934948
 H  -3.35105627   0.18895207   2.79191290
 H  -1.21239281   0.87824551  -0.89289310
 H  -0.86581056  -2.92635723   1.14460334
 H  -0.38747999  -1.46535192  -0.84394439
Br   1.34303794  -0.39039502   1.01915987
Al   4.43887754   1.98538268   0.03198269
Br   5.01756077   0.80927579  -1.90632475
Br   2.43081213  -0.24965941  -2.91376063
Br   0.35637911  -1.20887845  -3.71688404
Br   3.67144712   0.27572768   1.72472313
Br   2.75493545   3.50153489  -0.21064138
Br   6.30234319   2.51593745   1.27747913
 20
 Energy -18491.19845503 Gradient 0.00003705
 C  -2.14302112  -1.46471300   2.08889506
 C  -2.34275760   0.69824098   0.98476837
 C  -2.67175353  -0.16966238   2.03560570
 C  -1.48889376   0.27037570  -0.02459579
 C  -1.28718092  -1.90420800   1.08328987
 C  -0.94759189  -1.03844353   0.01410673
 H  -2.40453775  -2.12908304   2.91563145
 H  -2.75922901   1.70776061   0.95940194
 H  -3.34636685   0.17098894   2.82567858
 H  -1.22707134   0.92815869  -0.85661873
 H  -0.87738246  -2.91672237   1.10359046
 H  -0.40754358  -1.41890519  -0.85901603
Br   1.33606546  -0.38327201   1.01257651
Al   4.43824867   1.98566409   0.03163489
Br   5.01974743   0.82140486  -1.91315550
Br   2.43765897  -0.25295365  -2.91386865
Br   0.36638709  -1.22418771  -3.71109702
Br   3.67060187   0.26589793   1.71419851
Br   2.75226524   3.50088263  -0.20381513
Br   6.30111915   2.51226974   1.27956703
 20
 Energy -18491.19843281 Gradient 0.00003655
 C  -2.14705263  -1.46858625   2.08362805
 C  -2.34653465   0.71495215   1.02075382
 C  -2.67244691  -0.17135001   2.05711093
 C  -1.49924263   0.30347783  -0.00087504
 C  -1.29788718  -1.89176139   1.06546185
 C  -0.96151639  -1.00742074   0.01049396
 H  -2.40602623  -2.14741645   2.89935916
 H  -2.76020427   1.72593859   1.01631667
 H  -3.34187594   0.15646922   2.85696100
 H  -1.23985543   0.97626407  -0.82155244
 H  -0.89080619  -2.90558335   1.06480345
 H  -0.42774275  -1.37390663  -0.87258946
Br   1.32911475  -0.37648821   1.00547632
Al   4.43729544   1.98571012   0.03138698
Br   5.02211051   0.83424128  -1.92023433
Br   2.44498433  -0.25600177  -2.91338070
Br   0.37668109  -1.23929257  -3.70406820
Br   3.67012748   0.25476259   1.70286747
Br   2.74862147   3.49924072  -0.19654094
Br   6.29970982   2.50908158   1.28138562
 20
 Energy -18491.19839933 Gradient 0.00003694
 C  -2.15305839  -1.46994509   2.07759453
 C  -2.34810838   0.73268361   1.05397333
 C  -2.67318004  -0.17025500   2.07606046
 C  -1.50697086   0.33559360   0.02161848
 C  -1.31020138  -1.87877503   1.04845281
 C  -0.97468438  -0.97760143   0.00749920
 H  -2.41126282  -2.16179348   2.88254965
 H  -2.75741649   1.74533357   1.06907514
 H  -3.33769300   0.14627710   2.88450827
 H  -1.24815076   1.02195738  -0.78793064
 H  -0.90738711  -2.89409977   1.02822799
 H  -0.44686257  -1.33151963  -0.88440819
Br   1.32221958  -0.37037567   0.99875631
Al   4.43630634   1.98550826   0.03110948
Br   5.02482182   0.84743661  -1.92758068
Br   2.45252002  -0.25862868  -2.91241842
Br   0.38681219  -1.25388173  -3.69564644
Br   3.66995797   0.24282221   1.69079269
Br   2.74432852   3.49673595  -0.18905137
Br   6.29788111   2.50625019   1.28273208
 20
 Energy -18491.19837291 Gradient 0.00003893
 C  -2.15939824  -1.46973375   2.07165117
 C  -2.34935085   0.74990780   1.08447314
 C  -2.67419076  -0.16806655   2.09313206
 C  -1.51392045   0.36607042   0.04250621
 C  -1.32243154  -1.86535337   1.03265029
 C  -0.98721585  -0.94902886   0.00483984
 H  -2.41727392  -2.17340629   2.86641304
 H  -2.75429435   1.76388541   1.11756495
 H  -3.33418010   0.13809364   2.90924618
 H  -1.25526705   1.06467697  -0.75651953
 H  -0.92386099  -2.88183876   0.99440309
 H  -0.46513725  -1.29156995  -0.89500846
Br   1.31560865  -0.36483628   0.99163751
Al   4.43513345   1.98513231   0.03045709
Br   5.02779359   0.86112489  -1.93541357
Br   2.46033560  -0.26070860  -2.91065419
Br   0.39663069  -1.26762849  -3.68509528
Br   3.67010863   0.23012722   1.67795865
Br   2.73932008   3.49339168  -0.18178558
Br   6.29580029   2.50381710   1.28389804
 20
 Energy -18491.198346 Gradient 0.00004639
 C  -2.16888843  -1.46903644   2.06243544
 C  -2.35095109   0.76693765   1.11108912
 C  -2.67787569  -0.16551083   2.10559509
 C  -1.51939598   0.39588610   0.06139474
 C  -1.33585706  -1.85186244   1.01564410
 C  -0.99877077  -0.92092578   0.00159831
 H  -2.42834555  -2.18399323   2.84653015
 H  -2.75113545   1.78209947   1.16118696
 H  -3.33486382   0.13054292   2.92783903
 H  -1.25917086   1.10616804  -0.72676802
 H  -0.94191583  -2.86936905   0.96035773
 H  -0.48127947  -1.25237275  -0.90520645
Br   1.30934503  -0.35885970   0.98380539
Al   4.43404804   1.98438943   0.02989031
Br   5.03122222   0.87473206  -1.94328981
Br   2.46865428  -0.26230505  -2.90707425
Br   0.40593894  -1.27997562  -3.67137945
Br   3.67100722   0.21626402   1.66449528
Br   2.73296249   3.48805557  -0.17414830
Br   6.29431241   2.50249721   1.28364077
 20
 Energy -18491.19831226 Gradient 0.00006292
 C  -2.18544518  -1.47002534   2.04476272
 C  -2.35286676   0.78229540   1.12961430
 C  -2.68791469  -0.16454310   2.10751454
 C  -1.52005904   0.42383816   0.07645758
 C  -1.35125943  -1.84017082   0.99461004
 C  -1.00639816  -0.89484112  -0.00348162
 H  -2.45126697  -2.19617605   2.81635479
 H  -2.74773973   1.79865823   1.19508068
 H  -3.34606129   0.12142315   2.93240299
 H  -1.25373661   1.14550632  -0.69920863
 H  -0.96238723  -2.85867787   0.92390031
 H  -0.49062075  -1.21566470  -0.91522384
Br   1.30341639  -0.35205053   0.97728777
Al   4.43335899   1.98244441   0.02938887
Br   5.03498468   0.88662079  -1.95084375
Br   2.47707282  -0.26300799  -2.90097962
Br   0.41370748  -1.28942648  -3.65394439
Br   3.67299234   0.20201275   1.65228044
Br   2.72536247   3.47980065  -0.16544515
Br   6.29478356   2.50375073   1.27926060
 20
 Energy -18491.19827301 Gradient 0.00009295
 C  -2.20892403  -1.47451044   2.01884612
 C  -2.35871781   0.79238799   1.13665546
 C  -2.70681030  -0.16774960   2.09658802
 C  -1.51790280   0.44607202   0.08569696
 C  -1.36682322  -1.83239899   0.97116459
 C  -1.00940031  -0.87383046  -0.00982945
 H  -2.48508481  -2.21090597   2.77697876
 H  -2.74981306   1.80936954   1.21394925
 H  -3.37159963   0.10834323   2.91952527
 H  -1.24168332   1.17806541  -0.67673478
 H  -0.98161304  -2.85139261   0.88845659
 H  -0.49116960  -1.18461923  -0.92382383
Br   1.29825239  -0.34467543   0.97299956
Al   4.43341923   1.97961817   0.02913383
Br   5.03863682   0.89589640  -1.95767041
Br   2.48478771  -0.26247450  -2.89215782
Br   0.41906405  -1.29494841  -3.63338629
Br   3.67611097   0.18895196   1.64255018
Br   2.71790417   3.46981330  -0.15652980
Br   6.29825437   2.50729348   1.27025637
 20
 Energy -18491.19820955 Gradient 0.00012774
 C  -2.23674418  -1.48191621   1.98789136
 C  -2.36951366   0.79694899   1.13345931
 C  -2.73311211  -0.17484815   2.07552702
 C  -1.51533588   0.46202841   0.08948108
 C  -1.38129211  -1.82823997   0.94758750
 C  -1.00911024  -0.85819597  -0.01660463
 H  -2.52528630  -2.22727194   2.73255840
 H  -2.75933997   1.81378628   1.21860235
 H  -3.40891260   0.09189411   2.89255074
 H  -1.22761043   1.20282842  -0.66007650
 H  -0.99731696  -2.84702557   0.85671051
 H  -0.48509588  -1.16041274  -0.93029392
Br   1.29413934  -0.33768217   0.97140395
Al   4.43455404   1.97683093   0.02882751
Br   5.04166831   0.90247928  -1.96343981
Br   2.49144466  -0.26100700  -2.88170568
Br   0.42221844  -1.29679671  -3.61195892
Br   3.68009951   0.17772404   1.63518868
Br   2.71145551   3.45963079  -0.14780881
Br   6.30428826   2.51221902   1.25804990
 20
 Energy -18491.19811928 Gradient 0.00016562
 C  -2.26585467  -1.49104609   1.95498829
 C  -2.38427193   0.79752258   1.12389788
 C  -2.76356114  -0.18458827   2.04872282
 C  -1.51371594   0.47353393   0.09000310
 C  -1.39402746  -1.82632351   0.92511398
 C  -1.00690367  -0.84613024  -0.02290926
 H  -2.56695064  -2.24426959   2.68665046
 H  -2.77514883   1.81352150   1.21401092
 H  -3.45292793   0.07319112   2.85728513
 H  -1.21434524   1.22203679  -0.64725880
 H  -1.00926161  -2.84429884   0.82879527
 H  -0.47511538  -1.14050414  -0.93481004
Br   1.29079664  -0.33195382   0.97189137
Al   4.43601550   1.97401372   0.02874258
Br   5.04441770   0.90704868  -1.96815105
Br   2.49715044  -0.25897501  -2.87076035
Br   0.42382125  -1.29618921  -3.59110277
Br   3.68455176   0.16805145   1.62964408
Br   2.70603964   3.44998544  -0.13919260
Br   6.31184373   2.51839436   1.24360461
 20
 Energy -18491.19800045 Gradient 0.00020550
 C  -2.29563843  -1.50078425   1.92127544
 C  -2.40183076   0.79602226   1.11058302
 C  -2.79651356  -0.19553573   2.01866715
 C  -1.51343302   0.48254457   0.08868248
 C  -1.40584170  -1.82539001   0.90375860
 C  -1.00428500  -0.83602351  -0.02870970
 H  -2.60911921  -2.26121001   2.64021075
 H  -2.79526398   1.81075935   1.20373100
 H  -3.50049528   0.05360709   2.81725818
 H  -1.20264829   1.23797827  -0.63669740
 H  -1.01878788  -2.84217550   0.80389451
 H  -0.46363236  -1.12313496  -0.93782777
Br   1.28805157  -0.32747587   0.97363515
Al   4.43803294   1.97140462   0.02866134
Br   5.04707321   0.91002829  -1.97216102
Br   2.50211950  -0.25665405  -2.85969871
Br   0.42453076  -1.29426476  -3.57090159
Br   3.68905795   0.15948931   1.62511114
Br   2.70171998   3.44096602  -0.13081919
Br   6.32017151   2.52553884   1.22830342
 20
 Energy -18491.19786106 Gradient 0.00024850
 C  -2.32577883  -1.51058680   1.88732779
 C  -2.42168463   0.79320767   1.09456786
 C  -2.83116853  -0.20694388   1.98636153
 C  -1.51431744   0.48979007   0.08586666
 C  -1.41725799  -1.82505331   0.88359262
 C  -1.00164185  -0.82747902  -0.03396156
 H  -2.65110317  -2.27749882   2.59398124
 H  -2.81866420   1.80642262   1.18911347
 H  -3.55066594   0.03386455   2.77363713
 H  -1.19250287   1.25138062  -0.62816018
 H  -1.02707022  -2.84042607   0.78166903
 H  -0.45155153  -1.10806800  -0.93959355
Br   1.28586700  -0.32418199   0.97619695
Al   4.44054591   1.96891789   0.02839556
Br   5.04965449   0.91213461  -1.97584469
Br   2.50656929  -0.25413328  -2.84861067
Br   0.42467442  -1.29150214  -3.55108958
Br   3.69369926   0.15166596   1.62121767
Br   2.69843973   3.43260124  -0.12266884
Br   6.32859867   2.53322419   1.21269320
 20
 Energy -18491.19766576 Gradient 0.00029048
 C  -2.35585967  -1.52063458   1.85331766
 C  -2.44296342   0.78924603   1.07636552
 C  -2.86687416  -0.21899499   1.95233440
 C  -1.51658328   0.49577078   0.08274964
 C  -1.42793031  -1.82500106   0.86453947
 C  -0.99920866  -0.81953247  -0.03825879
 H  -2.69275884  -2.29374565   2.54773064
 H  -2.84463832   1.80058648   1.17124970
 H  -3.60217501   0.01379196   2.72732302
 H  -1.18422797   1.26334870  -0.61998337
 H  -1.03355698  -2.83866960   0.76158211
 H  -0.43939923  -1.09375709  -0.93996646
Br   1.28422110  -0.32172251   0.97920444
Al   4.44302362   1.96647352   0.02816882
Br   5.05225067   0.91381576  -1.97922600
Br   2.51061646  -0.25147775  -2.83758327
Br   0.42439218  -1.28822914  -3.53165866
Br   3.69856439   0.14438598   1.61759583
Br   2.69566269   3.42499994  -0.11454715
Br   6.33712783   2.54088932   1.19689124
 20
 Energy -18491.19746156 Gradient 0.00033460
 C  -2.38588056  -1.53085912   1.81897714
 C  -2.46527257   0.78471027   1.05743140
 C  -2.90299139  -0.23140665   1.91739958
 C  -1.51955714   0.50115855   0.07932076
 C  -1.43848664  -1.82518561   0.84598151
 C  -0.99681585  -0.81211391  -0.04203900
 H  -2.73382110  -2.30993249   2.50114341
 H  -2.87196235   1.79407422   1.15205678
 H  -3.65428609  -0.00671865   2.67936999
 H  -1.17701012   1.27445707  -0.61216444
 H  -1.03963114  -2.83704618   0.74249467
 H  -0.42707007  -1.08021410  -0.93953095
Br   1.28301645  -0.31993855   0.98229239
Al   4.44561525   1.96443507   0.02782921
Br   5.05467698   0.91501602  -1.98212161
Br   2.51430757  -0.24871961  -2.82666440
Br   0.42375554  -1.28462291  -3.51246263
Br   3.70349132   0.13760710   1.61419671
Br   2.69348190   3.41774024  -0.10644345
Br   6.34572869   2.54870493   1.18091710
 20
 Energy -18491.19722173 Gradient 0.00037716
 C  -2.41588574  -1.54094394   1.78440278
 C  -2.48785154   0.78000214   1.03765824
 C  -2.93920985  -0.24370952   1.88151838
 C  -1.52286007   0.50604849   0.07585927
 C  -1.44905911  -1.82552469   0.82797002
 C  -0.99475769  -0.80517207  -0.04523547
 H  -2.77495355  -2.32584743   2.45405419
 H  -2.89968307   1.78736415   1.13143333
 H  -3.70617803  -0.02682603   2.62999172
 H  -1.17019759   1.28481670  -0.60432503
 H  -1.04556846  -2.83556390   0.72453144
 H  -0.41519330  -1.06739559  -0.93828966
Br   1.28214838  -0.31887603   0.98522833
Al   4.44815656   1.96270043   0.02773409
Br   5.05700944   0.91578709  -1.98460781
Br   2.51771637  -0.24589648  -2.81583069
Br   0.42280134  -1.28080218  -3.49338194
Br   3.70838963   0.13108514   1.61117436
Br   2.69170541   3.41091081  -0.09846655
Br   6.35449801   2.55677525   1.16471062
 20
 Energy -18491.19693144 Gradient 0.00042138
 C  -2.44557942  -1.55092570   1.74963499
 C  -2.51067515   0.77509356   1.01727510
 C  -2.97525596  -0.25598647   1.84492450
 C  -1.52662078   0.51063298   0.07240117
 C  -1.45948648  -1.82589399   0.81039275
 C  -0.99293211  -0.79846291  -0.04794546
 H  -2.81521381  -2.34138802   2.40684586
 H  -2.92776152   1.78041044   1.10982694
 H  -3.75800080  -0.04685477   2.57918882
 H  -1.16403861   1.29476371  -0.59633270
 H  -1.05115378  -2.83404189   0.70736695
 H  -0.40345122  -1.05495870  -0.93637968
Br   1.28158197  -0.31850448   0.98786387
Al   4.45117127   1.96057884   0.02778797
Br   5.05917978   0.91607718  -1.98691824
Br   2.52086485  -0.24299284  -2.80506040
Br   0.42162926  -1.27677916  -3.47429085
Br   3.71323430   0.12470708   1.60849655
Br   2.69012973   3.40467045  -0.09052301
Br   6.36334161   2.56523832   1.14842128
 20
 Energy -18491.19661274 Gradient 0.00046378
 C  -2.47480685  -1.56080888   1.71467088
 C  -2.53360279   0.77006881   0.99628425
 C  -3.01093140  -0.26821382   1.80766862
 C  -1.53069477   0.51496778   0.06892984
 C  -1.46980096  -1.82631301   0.79311659
 C  -0.99134541  -0.79195922  -0.05021479
 H  -2.85489130  -2.35677384   2.35921676
 H  -2.95609592   1.77327418   1.08723025
 H  -3.80887686  -0.06663143   2.52752629
 H  -1.15853734   1.30424623  -0.58837650
 H  -1.05660556  -2.83255118   0.69080193
 H  -0.39237661  -1.04291846  -0.93402879
Br   1.28127413  -0.31879749   0.99016288
Al   4.45405892   1.95860704   0.02792658
Br   5.06101792   0.91606210  -1.98889378
Br   2.52388483  -0.23992204  -2.79433167
Br   0.42027017  -1.27258092  -3.45505493
Br   3.71802815   0.11856937   1.60608501
Br   2.68908957   3.39866352  -0.08266630
Br   6.37208738   2.57388419   1.13195020
 20
 Energy -18491.19625786 Gradient 0.00050636
 C  -2.50341410  -1.57059811   1.67946552
 C  -2.55640760   0.76491273   0.97479067
 C  -3.04608354  -0.28041880   1.76975839
 C  -1.53499136   0.51909666   0.06546860
 C  -1.47976620  -1.82671522   0.77612417
 C  -0.98983384  -0.78558429  -0.05216800
 H  -2.89344817  -2.37189312   2.31130019
 H  -2.98438819   1.76597715   1.06379544
 H  -3.85921759  -0.08637009   2.47456121
 H  -1.15338562   1.31351889  -0.58018029
 H  -1.06149509  -2.83097451   0.67479949
 H  -0.38139438  -1.03111630  -0.93132474
Br   1.28111916  -0.31969930   0.99204411
Al   4.45680611   1.95663342   0.02853313
Br   5.06266079   0.91589476  -1.99064389
Br   2.52683974  -0.23667896  -2.78364663
Br   0.41873790  -1.26824158  -3.43558453
Br   3.72270945   0.11265032   1.60397027
Br   2.68830414   3.39293195  -0.07496564
Br   6.38079605   2.58253771   1.11531607
 20
 Energy -18491.19587345 Gradient 0.00055024
 C  -2.53126065  -1.58026777   1.64392237
 C  -2.57894602   0.75973047   0.95277975
 C  -3.08057728  -0.29257334   1.73112560
 C  -1.53923026   0.52315884   0.06208560
 C  -1.48919249  -1.82703337   0.75940406
 C  -0.98815389  -0.77922336  -0.05368401
 H  -2.93103124  -2.38685005   2.26285625
 H  -3.01247570   1.75859097   1.03957839
 H  -3.90852709  -0.10599159   2.42054136
 H  -1.14854778   1.32257083  -0.57182844
 H  -1.06573059  -2.82925320   0.65944418
 H  -0.37069057  -1.01940589  -0.92821482
Br   1.28101633  -0.32119806   0.99337404
Al   4.45964162   1.95473764   0.02921854
Br   5.06393879   0.91560464  -1.99213458
Br   2.52973475  -0.23328138  -2.77303633
Br   0.41709805  -1.26372250  -3.41571750
Br   3.72720355   0.10681266   1.60217210
Br   2.68772247   3.38744898  -0.06752431
Br   6.38953656   2.59119746   1.09870262
 20
 Energy -18491.19534873 Gradient 0.00059630
 C  -2.55815494  -1.58975397   1.60811091
 C  -2.60101920   0.75456115   0.93019279
 C  -3.11413085  -0.30457361   1.69180422
 C  -1.54327681   0.52720732   0.05874468
 C  -1.49798495  -1.82725712   0.74295410
 C  -0.98612218  -0.77284595  -0.05475185
 H  -2.96732881  -2.40149864   2.21398517
 H  -3.04025164   1.75117241   1.01439186
 H  -3.95665936  -0.12537145   2.36533859
 H  -1.14354952   1.33159087  -0.56321330
 H  -1.06923603  -2.82739600   0.64450927
 H  -0.36009325  -1.00791464  -0.92501063
Br   1.28084147  -0.32320707   0.99413478
Al   4.46217354   1.95282295   0.03063702
Br   5.06463037   0.91516565  -1.99322661
Br   2.53297754  -0.22962202  -2.76247558
Br   0.41507452  -1.25915746  -3.39549708
Br   3.73171953   0.10105507   1.60064234
Br   2.68743273   3.38225237  -0.06042585
Br   6.39817838   2.59977539   1.08192015
 20
 Energy -18491.19500614 Gradient 0.00063701
 C  -2.58362064  -1.59911187   1.57184478
 C  -2.62226095   0.74945826   0.90716642
 C  -3.14626605  -0.31650287   1.65191701
 C  -1.54703137   0.53133682   0.05518957
 C  -1.50588382  -1.82734008   0.72633096
 C  -0.98378570  -0.76633984  -0.05585771
 H  -3.00178805  -2.41598774   2.16456738
 H  -3.06718297   1.74374848   0.98874035
 H  -4.00292299  -0.14470259   2.30940298
 H  -1.13878350   1.34057333  -0.55476679
 H  -1.07173607  -2.82531112   0.62957716
 H  -0.34971357  -0.99653825  -0.92176989
Br   1.28047288  -0.32568936   0.99417662
Al   4.46455053   1.95035009   0.03239716
Br   5.06533074   0.91478162  -1.99431272
Br   2.53551651  -0.22585189  -2.75091811
Br   0.41299867  -1.25452330  -3.37520042
Br   3.73626524   0.09546210   1.59942125
Br   2.68750704   3.37727141  -0.05362065
Br   6.40656928   2.60830507   1.06495608
 20
 Energy -18491.19450522 Gradient 0.00068274
 C  -2.60771542  -1.60831615   1.53528788
 C  -2.64260593   0.74438622   0.88371161
 C  -3.17710941  -0.32834931   1.61133118
 C  -1.55020071   0.53553214   0.05180168
 C  -1.51269908  -1.82727262   0.70993662
 C  -0.98074367  -0.75975977  -0.05676594
 H  -3.03441647  -2.43022684   2.11478408
 H  -3.09324685   1.73634433   0.96238983
 H  -4.04757155  -0.16390414   2.25234363
 H  -1.13347416   1.34970264  -0.54582378
 H  -1.07299749  -2.82301424   0.61512010
 H  -0.33933504  -0.98498841  -0.91927527
Br   1.27968096  -0.32877925   0.99340887
Al   4.46693295   1.94749338   0.03432793
Br   5.06574637   0.91448127  -1.99526390
Br   2.53770411  -0.22199682  -2.73916422
Br   0.41095252  -1.24966233  -3.35443355
Br   3.74066505   0.08990896   1.59869303
Br   2.68784600   3.37246853  -0.04715794
Br   6.41488924   2.61686358   1.04794168
 20
 Energy -18491.19398038 Gradient 0.00073126
 C  -2.63040144  -1.61737020   1.49857918
 C  -2.66197248   0.73935014   0.85978611
 C  -3.20660590  -0.34009618   1.57011520
 C  -1.55259526   0.53981725   0.04863350
 C  -1.51839387  -1.82707971   0.69407214
 C  -0.97681552  -0.75308720  -0.05691324
 H  -3.06547616  -2.44428230   2.06462993
 H  -3.11847726   1.72886462   0.93526319
 H  -4.09072493  -0.18300924   2.19410534
 H  -1.12770703   1.35875171  -0.53655432
 H  -1.07296844  -2.82050754   0.60170768
 H  -0.32910762  -0.97377650  -0.91640361
Br   1.27820516  -0.33250216   0.99191402
Al   4.46903911   1.94440739   0.03748141
Br   5.06526609   0.91415615  -1.99583616
Br   2.54066008  -0.21789287  -2.72820555
Br   0.40847640  -1.24465890  -3.33291167
Br   3.74512964   0.08438954   1.59838331
Br   2.68840713   3.36790696  -0.04117590
Br   6.42319717   2.62540170   1.03092802
 20
 Energy -18491.19341684 Gradient 0.00077885
 C  -2.65140780  -1.62620368   1.46170422
 C  -2.68017427   0.73444839   0.83542916
 C  -3.23453516  -0.35167362   1.52816338
 C  -1.55408551   0.54415467   0.04578184
 C  -1.52267636  -1.82675279   0.67871627
 C  -0.97177023  -0.74633894  -0.05646518
 H  -3.09449984  -2.45796609   2.01418015
 H  -3.14261074   1.72149222   0.90721263
 H  -4.13207691  -0.20192718   2.13452735
 H  -1.12101298   1.36783980  -0.52669604
 H  -1.07142850  -2.81780436   0.58895584
 H  -0.31914250  -0.96265400  -0.91428649
Br   1.27588923  -0.33676949   0.98962169
Al   4.47090684   1.94102215   0.04148899
Br   5.06414950   0.91384767  -1.99624891
Br   2.54378918  -0.21364570  -2.71737059
Br   0.40572375  -1.23955639  -3.31092407
Br   3.74985396   0.07896575   1.59850745
Br   2.68921817   3.36358189  -0.03571576
Br   6.43137307   2.63386551   1.01401946
 20
 Energy -18491.19281559 Gradient 0.00082982
 C  -2.67066508  -1.63477011   1.42484901
 C  -2.69713552   0.72964324   0.81047328
 C  -3.26079382  -0.36306174   1.48557560
 C  -1.55450981   0.54864924   0.04317716
 C  -1.52552072  -1.82618197   0.66412280
 C  -0.96547472  -0.73940298  -0.05521501
 H  -3.12152772  -2.47128675   1.96376657
 H  -3.16560856   1.71410235   0.87822325
 H  -4.17152602  -0.22063056   2.07382703
 H  -1.11352764   1.37702063  -0.51631942
 H  -1.06825170  -2.81474645   0.57757008
 H  -0.30931993  -0.95185621  -0.91220962
Br   1.27249569  -0.34159720   0.98647322
Al   4.47248308   1.93704819   0.04644383
Br   5.06233947   0.91365395  -1.99647127
Br   2.54712667  -0.20930264  -2.70675379
Br   0.40266782  -1.23438464  -3.28854277
Br   3.75505990   0.07376059   1.59907789
Br   2.69038577   3.35942798  -0.03079473
Br   6.43930347   2.64223900   0.99728172
 20
 Energy -18491.19218095 Gradient 0.00088332
 C  -2.68817494  -1.64310718   1.38814211
 C  -2.71270910   0.72500473   0.78525143
 C  -3.28527120  -0.37421600   1.44251383
 C  -1.55395129   0.55332274   0.04097502
 C  -1.52682810  -1.82545861   0.65051208
 C  -0.95794093  -0.73235845  -0.05292713
 H  -3.14644193  -2.48425359   1.91329689
 H  -3.18727397   1.70685246   0.84840812
 H  -4.20892443  -0.23899038   2.01197633
 H  -1.10504778   1.38618451  -0.50549739
 H  -1.06312723  -2.81140032   0.56771632
 H  -0.29983742  -0.94155284  -0.91072660
Br   1.26769347  -0.34699618   0.98237081
Al   4.47395451   1.93249861   0.05248230
Br   5.05985241   0.91358786  -1.99656676
Br   2.55068983  -0.20488586  -2.69637424
Br   0.39928025  -1.22916019  -3.26589605
Br   3.76107396   0.06887952   1.60007231
Br   2.69185454   3.35541026  -0.02644444
Br   6.44692966   2.65049570   0.98084897
 20
 Energy -18491.19148968 Gradient 0.00093347
 C  -2.70394644  -1.65118410   1.35158127
 C  -2.72682445   0.72055858   0.75993502
 C  -3.30804357  -0.38516146   1.39900106
 C  -1.55220556   0.55810789   0.03954658
 C  -1.52679144  -1.82456575   0.63782462
 C  -0.94911882  -0.72527790  -0.04977963
 H  -3.16961260  -2.49686258   1.86286170
 H  -3.20750540   1.69970904   0.81829068
 H  -4.24446047  -0.25722733   1.94907313
 H  -1.09569206   1.39549187  -0.49350429
 H  -1.05710984  -2.80794041   0.55894679
 H  -0.29261113  -0.93148556  -0.91113065
Br   1.26131273  -0.35292176   0.97739570
Al   4.47515942   1.92741773   0.05963179
Br   5.05674338   0.91359564  -1.99656883
Br   2.55451613  -0.20042429  -2.68630941
Br   0.39548456  -1.22395914  -3.24316931
Br   3.76820756   0.06443049   1.60148534
Br   2.69353135   3.35159700  -0.02268971
Br   6.45428060   2.65857236   0.96491143
 20
 Energy -18491.19076426 Gradient 0.00097616
 C  -2.71829065  -1.65898347   1.31529025
 C  -2.73973741   0.71624419   0.73430070
 C  -3.32907324  -0.39573679   1.35536572
 C  -1.54961850   0.56296205   0.03859370
 C  -1.52573556  -1.82363846   0.62603388
 C  -0.93915783  -0.71818652  -0.04550976
 H  -3.19094247  -2.50902740   1.81259302
 H  -3.22645534   1.69271286   0.78714144
 H  -4.27774414  -0.27481362   1.88562975
 H  -1.08535836   1.40472111  -0.48084344
 H  -1.04967611  -2.80435406   0.55178837
 H  -0.28588789  -0.92204739  -0.91227587
Br   1.25336954  -0.35929246   0.97165210
Al   4.47605830   1.92189516   0.06780102
Br   5.05308736   0.91362827  -1.99654019
Br   2.55856536  -0.19596179  -2.67663922
Br   0.39125079  -1.21884679  -3.22050578
Br   3.77663891   0.06051357   1.60328388
Br   2.69538720   3.34802088  -0.01948185
Br   6.46137027   2.66639443   0.94962720
 20
 Energy -18491.18998858 Gradient 0.00101445
 C  -2.73129343  -1.66642067   1.27953910
 C  -2.75135333   0.71216450   0.70851182
 C  -3.34857232  -0.40587116   1.31159387
 C  -1.54627782   0.56773204   0.03808035
 C  -1.52388020  -1.82269186   0.61548613
 C  -0.92834974  -0.71123119  -0.04000629
 H  -3.21085260  -2.52056266   1.76309185
 H  -3.24393119   1.68596858   0.75568708
 H  -4.30901457  -0.29172757   1.82188557
 H  -1.07449207   1.41366081  -0.46755025
 H  -1.04171673  -2.80074694   0.54631120
 H  -0.28099531  -0.91353094  -0.91416877
Br   1.24385496  -0.36604952   0.96511347
Al   4.47690076   1.91616525   0.07682437
Br   5.04901004   0.91365423  -1.99652993
Br   2.56280351  -0.19153792  -2.66737622
Br   0.38657098  -1.21385312  -3.19803367
Br   3.78653859   0.05716929   1.60547577
Br   2.69738873   3.34464519  -0.01675394
Br   6.46806328   2.67393277   0.93504620
 20
 Energy -18491.18920589 Gradient 0.00103242
 C  -2.74325781  -1.67360203   1.24424447
 C  -2.76199057   0.70819928   0.68286792
 C  -3.36677449  -0.41571596   1.26788254
 C  -1.54238967   0.57253786   0.03841477
 C  -1.52140437  -1.82161730   0.60604309
 C  -0.91694128  -0.70442563  -0.03377446
 H  -3.22933748  -2.53179711   1.71377500
 H  -3.26020527   1.67939973   0.72368234
 H  -4.33874494  -0.30822981   1.75734248
 H  -1.06310817   1.42254166  -0.45336296
 H  -1.03288261  -2.79698183   0.54283427
 H  -0.27837679  -0.90573168  -0.91818512
Br   1.23304326  -0.37310513   0.95791599
Al   4.47773923   1.91035280   0.08649964
Br   5.04460601   0.91367511  -1.99653474
Br   2.56716913  -0.18717265  -2.65850708
Br   0.38143082  -1.20902304  -3.17591056
Br   3.79790232   0.05439991   1.60805430
Br   2.69943398   3.34147315  -0.01444389
Br   6.47439189   2.68114073   0.92118708
 20
 Energy -18491.18839166 Gradient 0.00103106
 C  -2.75438054  -1.68060518   1.20917777
 C  -2.77201390   0.70426693   0.65704710
 C  -3.38391542  -0.42533582   1.22412725
 C  -1.53833074   0.57726324   0.03928501
 C  -1.51869776  -1.82056132   0.59736870
 C  -0.90503459  -0.69762249  -0.02631076
 H  -3.24665587  -2.54261929   1.66512663
 H  -3.27567214   1.67289309   0.69172935
 H  -4.36658546  -0.32427894   1.69326306
 H  -1.05177085   1.43153382  -0.43765710
 H  -1.02412044  -2.79323652   0.54066967
 H  -0.27808805  -0.89845644  -0.92302441
Br   1.22138752  -0.38035029   0.95021184
Al   4.47846594   1.90458938   0.09683888
Br   5.03997016   0.91365893  -1.99657844
Br   2.57159279  -0.18287729  -2.65001610
Br   0.37582425  -1.20436573  -3.15417967
Br   3.81051583   0.05215691   1.61093769
Br   2.70145652   3.33848922  -0.01252625
Br   6.48047829   2.68802950   0.90807692
 20
 Energy -18491.18756657 Gradient 0.00100892
 C  -2.76501328  -1.68738802   1.17436336
 C  -2.78152902   0.70035709   0.63097373
 C  -3.40021743  -0.43464605   1.18031717
 C  -1.53430626   0.58177842   0.04052016
 C  -1.51594592  -1.81955870   0.58960500
 C  -0.89298719  -0.69107373  -0.01789429
 H  -3.26339493  -2.55323375   1.61607951
 H  -3.29050855   1.66641795   0.65822825
 H  -4.39345989  -0.33986638   1.62799341
 H  -1.04049404   1.44002883  -0.42189406
 H  -1.01538881  -2.78962567   0.53991658
 H  -0.27976343  -0.89167071  -0.92914388
Br   1.20929380  -0.38768599   0.94210956
Al   4.47924332   1.89911912   0.10761184
Br   5.03523295   0.91356396  -1.99672785
Br   2.57601181  -0.17866666  -2.64182058
Br   0.36975715  -1.19985744  -3.13276928
Br   3.82417981   0.05035379   1.61410707
Br   2.70344237   3.33567164  -0.01086104
Br   6.48623416   2.69461500   0.89561195
 20
 Energy -18491.18675158 Gradient 0.00096298
 C  -2.77534680  -1.69407958   1.13938907
 C  -2.79064767   0.69639081   0.60448169
 C  -3.41585814  -0.44379283   1.13612028
 C  -1.53034411   0.58608788   0.04213149
 C  -1.51336725  -1.81859943   0.58248246
 C  -0.88096588  -0.68468957  -0.00852765
 H  -3.27937144  -2.56342606   1.56771083
 H  -3.30445379   1.66005975   0.62517156
 H  -4.41863931  -0.35490620   1.56336485
 H  -1.02957000   1.44849139  -0.40475954
 H  -1.00677247  -2.78591425   0.54114311
 H  -0.28326649  -0.88576512  -0.93530536
Br   1.19710293  -0.39505746   0.93367312
Al   4.48004162   1.89386201   0.11847305
Br   5.03044713   0.91340619  -1.99695175
Br   2.58038146  -0.17453082  -2.63383981
Br   0.36322045  -1.19547565  -3.11163139
Br   3.83863810   0.04891071   1.61752619
Br   2.70535064   3.33301539  -0.00934460
Br   6.49175086   2.70093536   0.88369459
 20
 Energy -18491.18596497 Gradient 0.00089983
 C  -2.78542671  -1.70056308   1.10434702
 C  -2.79950046   0.69236204   0.57764502
 C  -3.43101032  -0.45270491   1.09161710
 C  -1.52652368   0.59014850   0.04419679
 C  -1.51104339  -1.81772285   0.57588527
 C  -0.86909910  -0.67859414   0.00155868
 H  -3.29508728  -2.57357178   1.51820590
 H  -3.31804542   1.65361967   0.59006408
 H  -4.44341618  -0.36972215   1.49673618
 H  -1.01876084   1.45657908  -0.38709154
 H  -0.99881747  -2.78245925   0.54323820
 H  -0.28870449  -0.87989878  -0.94275352
Br   1.18514888  -0.40242605   0.92499114
Al   4.48098418   1.88898128   0.12941543
Br   5.02565021   0.91314983  -1.99726427
Br   2.58465203  -0.17046637  -2.62601362
Br   0.35622503  -1.19118706  -3.09066942
Br   3.85363741   0.04774464   1.62114773
Br   2.70719495   3.33052667  -0.00794769
Br   6.49702542   2.70698544   0.87224694
 20
 Energy -18491.18522937 Gradient 0.00081863
 C  -2.79539389  -1.70708543   1.06872491
 C  -2.80823631   0.68818162   0.55000848
 C  -3.44567158  -0.46159237   1.04643038
 C  -1.52305254   0.59405723   0.04639524
 C  -1.50907724  -1.81683512   0.56965507
 C  -0.85765253  -0.67255050   0.01253416
 H  -3.31006120  -2.58338279   1.46931835
 H  -3.33100474   1.64722728   0.55549992
 H  -4.46650856  -0.38406968   1.43103944
 H  -1.00850688   1.46475676  -0.36788619
 H  -0.99116068  -2.77882410   0.54682800
 H  -0.29559401  -0.87449703  -0.94979009
Br   1.17371954  -0.40970401   0.91615149
Al   4.48187373   1.88437119   0.14031380
Br   5.02089073   0.91280333  -1.99762031
Br   2.58879419  -0.16645908  -2.61828386
Br   0.34874526  -1.18696002  -3.06977503
Br   3.86897045   0.04677686   1.62492879
Br   2.70906695   3.32812404  -0.00667776
Br   6.50205947   2.71282295   0.86117883
 20
 Energy -18491.18453991 Gradient 0.00072564
 C  -2.80511444  -1.71348918   1.03271913
 C  -2.81669569   0.68383644   0.52202114
 C  -3.45994548  -0.47040769   1.00068458
 C  -1.51987711   0.59764989   0.04875756
 C  -1.50739428  -1.81601910   0.56361814
 C  -0.84668434  -0.66675373   0.02392862
 H  -3.32495006  -2.59345650   1.41824724
 H  -3.34368576   1.64057569   0.51847952
 H  -4.48948465  -0.39854092   1.36245655
 H  -0.99913914   1.47249050  -0.34910503
 H  -0.98428700  -2.77543413   0.55046226
 H  -0.30381990  -0.86959184  -0.95758012
Br   1.16303833  -0.41687105   0.90728290
Al   4.48288841   1.88013420   0.15122086
Br   5.01612752   0.91239370  -1.99797349
Br   2.59279836  -0.16249353  -2.61060539
Br   0.34077698  -1.18278101  -3.04890522
Br   3.88444778   0.04596366   1.62881689
Br   2.71085833   3.32576911  -0.00552889
Br   6.50692379   2.71848856   0.85041292
 20
 Energy -18491.18392526 Gradient 0.00062368
 C  -2.81482863  -1.71997497   0.99572541
 C  -2.82479562   0.67932286   0.49292433
 C  -3.47358915  -0.47910475   0.95399022
 C  -1.51686389   0.60081017   0.05099773
 C  -1.50622219  -1.81551164   0.55752975
 C  -0.83641451  -0.66140700   0.03584809
 H  -3.33915807  -2.60301483   1.36801551
 H  -3.35517336   1.63415612   0.48222680
 H  -4.51046672  -0.41216650   1.29522303
 H  -0.98967496   1.47985873  -0.32869658
 H  -0.97791060  -2.77217644   0.55583213
 H  -0.31293246  -0.86482739  -0.96511756
Br   1.15322594  -0.42390043   0.89848844
Al   4.48409412   1.87644746   0.16201506
Br   5.01136041   0.91193219  -1.99837084
Br   2.59665424  -0.15856681  -2.60295141
Br   0.33236212  -1.17861845  -3.02798445
Br   3.89991711   0.04521182   1.63276660
Br   2.71249726   3.32352391  -0.00439805
Br   6.51163735   2.72395333   0.83991149
 20
 Energy -18491.18339021 Gradient 0.00052251
 C  -2.82432692  -1.72634881   0.95811603
 C  -2.83220636   0.67469344   0.46361908
 C  -3.48663880  -0.48763045   0.90665814
 C  -1.51394742   0.60337194   0.05296419
 C  -1.50549712  -1.81532416   0.55113556
 C  -0.82702350  -0.65673647   0.04752551
 H  -3.35353173  -2.61286946   1.31488816
 H  -3.36582198   1.62757737   0.44360405
 H  -4.53115480  -0.42577501   1.22466875
 H  -0.98084925   1.48616745  -0.30970739
 H  -0.97277898  -2.76954397   0.56011808
 H  -0.32198725  -0.86080100  -0.97310669
Br   1.14432617  -0.43065928   0.88985457
Al   4.48525923   1.87312536   0.17269234
Br   5.00661749   0.91142396  -1.99879602
Br   2.60039316  -0.15465401  -2.59528279
Br   0.32342360  -1.17445582  -3.00689627
Br   3.91529837   0.04446336   1.63676007
Br   2.71412683   3.32138899  -0.00330100
Br   6.51616534   2.72922348   0.82961977
 20
 Energy -18491.1829266 Gradient 0.00039549
 C  -2.83292286  -1.73260990   0.92058621
 C  -2.83966705   0.66942762   0.43225821
 C  -3.49916821  -0.49642569   0.85783013
 C  -1.51141131   0.60534900   0.05417512
 C  -1.50441453  -1.81497858   0.54579482
 C  -0.81813935  -0.65224622   0.05975816
 H  -3.36567906  -2.62196536   1.26489700
 H  -3.37602965   1.62059039   0.40396453
 H  -4.55014516  -0.43930124   1.15475502
 H  -0.97276934   1.49230282  -0.28969966
 H  -0.96683428  -2.76624194   0.56870369
 H  -0.33072724  -0.85673352  -0.98069558
Br   1.13634045  -0.43712223   0.88141464
Al   4.48641169   1.87007255   0.18328866
Br   5.00195034   0.91085848  -1.99924651
Br   2.60402545  -0.15077309  -2.58764578
Br   0.31395867  -1.17033988  -2.98580416
Br   3.93042635   0.04378341   1.64070686
Br   2.71567495   3.31936822  -0.00224707
Br   6.52048671   2.73425915   0.81959464
 20
 Energy -18491.18257844 Gradient 0.00027628
 C  -2.84080648  -1.73892011   0.88295151
 C  -2.84636704   0.66394522   0.39984902
 C  -3.51039138  -0.50526872   0.80885120
 C  -1.50887054   0.60726631   0.05517283
 C  -1.50328218  -1.81471167   0.54064976
 C  -0.80981895  -0.64794285   0.07243200
 H  -3.37740329  -2.63152336   1.21260735
 H  -3.38580060   1.61299637   0.36084605
 H  -4.56802830  -0.45301038   1.08193214
 H  -0.96522995   1.49774359  -0.27151578
 H  -0.96165479  -2.76331135   0.57607972
 H  -0.34059111  -0.85362706  -0.98932861
Br   1.12906608  -0.44339762   0.87313185
Al   4.48756241   1.86745061   0.19380760
Br   4.99731296   0.91019877  -1.99975167
Br   2.60764099  -0.14687790  -2.57999523
Br   0.30393317  -1.16623682  -2.96463213
Br   3.94529884   0.04310460   1.64460538
Br   2.71708443   3.31743579  -0.00123302
Br   6.52469987   2.73910250   0.80978495
 20
 Energy -18491.18231804 Gradient 0.00014414
 C  -2.84785712  -1.74532046   0.84378250
 C  -2.85213406   0.65841608   0.36825281
 C  -3.52060120  -0.51416397   0.75946272
 C  -1.50625231   0.60892378   0.05643123
 C  -1.50208256  -1.81454861   0.53417188
 C  -0.80217598  -0.64375222   0.08450400
 H  -3.38737479  -2.64100157   1.16013163
 H  -3.39359904   1.60598127   0.32141281
 H  -4.58363818  -0.46642514   1.01146450
 H  -0.95802054   1.50351425  -0.25080318
 H  -0.95661650  -2.76033249   0.58343651
 H  -0.34969096  -0.84990817  -0.99929344
Br   1.12242531  -0.44955868   0.86502925
Al   4.48860275   1.86514216   0.20438592
Br   4.99261918   0.90949473  -2.00021406
Br   2.61138765  -0.14291288  -2.57233745
Br   0.29329327  -1.16216059  -2.94330475
Br   3.95988976   0.04234655   1.64847349
Br   2.71851015   3.31560019  -0.00021069
Br   6.52869995   2.74378445   0.79992840
 20
 Energy -18491.1821475 Gradient 0.00002803
 C  -2.85400247  -1.75170306   0.80357367
 C  -2.85674470   0.65291582   0.33688469
 C  -3.52945758  -0.52288014   0.70990382
 C  -1.50328237   0.61038586   0.05770135
 C  -1.50077067  -1.81454386   0.52631441
 C  -0.79510651  -0.63967672   0.09640510
 H  -3.39649227  -2.65084668   1.10472050
 H  -3.40006239   1.59896461   0.28118909
 H  -4.59774786  -0.47974700   0.93935155
 H  -0.95105388   1.50884435  -0.23062033
 H  -0.95216231  -2.75775875   0.58796868
 H  -0.35814289  -0.84619322  -1.01121023
Br   1.11654321  -0.45562623   0.85743821
Al   4.48946426   1.86307571   0.21504529
Br   4.98793535   0.90876502  -2.00069064
Br   2.61524750  -0.13889974  -2.56465517
Br   0.28199214  -1.15820024  -2.92183061
Br   3.97399399   0.04159568   1.65224125
Br   2.71990779   3.31393957   0.00068257
Br   6.53250804   2.74825275   0.79012451
 20
 Energy -18491.18209333  ZPE 0.101279  G(298.15) 26.43
 C  -2.85908878  -1.75738650   0.76489892
 C  -2.85994684   0.64754934   0.30620837
 C  -3.53674759  -0.53082143   0.66201283
 C  -1.49971572   0.61121160   0.05911313
 C  -1.49928912  -1.81456795   0.51911302
 C  -0.78854697  -0.63624969   0.10864852
 H  -3.40394324  -2.65954998   1.05252844
 H  -3.40428305   1.59253148   0.24250499
 H  -4.60938224  -0.49158100   0.87073104
 H  -0.94378173   1.51337773  -0.20984085
 H  -0.94824378  -2.75537493   0.59419190
 H  -0.36610145  -0.84361016  -1.02611115
Br   1.11100276  -0.46155722   0.84984538
Al   4.49029046   1.86137563   0.22606529
Br   4.98307129   0.90793483  -2.00136613
Br   2.61961520  -0.13458025  -2.55682470
Br   0.26948755  -1.15433937  -2.89944283
Br   3.98803201   0.04079654   1.65596963
Br   2.72127089   3.31241071   0.00145089
Br   6.53630036   2.75243063   0.78030330
 20
 Energy -18491.18215782 Gradient 0.00002803
 C  -2.86242745  -1.76270428   0.72766797
 C  -2.86243753   0.64150749   0.27410462
 C  -3.54252421  -0.53882503   0.61495381
 C  -1.49617621   0.61122522   0.05811660
 C  -1.49661518  -1.81415121   0.51305614
 C  -0.78238840  -0.63281884   0.12131731
 H  -3.40879111  -2.66777560   1.00315519
 H  -3.40760803   1.58541280   0.20169121
 H  -4.61883900  -0.50329687   0.80418059
 H  -0.93747508   1.51699026  -0.19228314
 H  -0.94317074  -2.75215269   0.60335773
 H  -0.37228155  -0.84289782  -1.04669551
Br   1.10572664  -0.46697179   0.84193182
Al   4.49070910   1.85974271   0.23787908
Br   4.97810202   0.90700428  -2.00205996
Br   2.62483736  -0.12980300  -2.54942913
Br   0.25599135  -1.15073663  -2.87667498
Br   4.00157722   0.03990130   1.65962005
Br   2.72264994   3.31099233   0.00222005
Br   6.53986964   2.75609413   0.77072128
 20
 Energy -18491.18238734 Gradient 0.00017830
 C  -2.86370684  -1.76764306   0.69059483
 C  -2.86337648   0.63459663   0.24083241
 C  -3.54628268  -0.54675059   0.56923636
 C  -1.49142210   0.61009334   0.05533345
 C  -1.49231312  -1.81337616   0.50573792
 C  -0.77608283  -0.62923464   0.13535977
 H  -3.41074019  -2.67599093   0.95384928
 H  -3.40895848   1.57746344   0.15818793
 H  -4.62569737  -0.51475271   0.74000420
 H  -0.93092502   1.51962989  -0.17644583
 H  -0.93701737  -2.74849520   0.61247670
 H  -0.37414270  -0.84473552  -1.08401152
Br   1.10041444  -0.47187968   0.83319363
Al   4.49017625   1.85853912   0.25089991
Br   4.97309672   0.90584318  -2.00299972
Br   2.63205325  -0.12457537  -2.54269691
Br   0.24133470  -1.14780263  -2.85420835
Br   4.01393402   0.03920253   1.66288582
Br   2.72386986   3.31002587   0.00255098
Br   6.54279783   2.75889015   0.76236318
 20
 Energy -18491.1834941 Gradient 0.00047338
 C  -2.86358194  -1.76859897   0.66413644
 C  -2.86308723   0.62688461   0.21761027
 C  -3.54845322  -0.55141999   0.54284704
 C  -1.48376824   0.60536334   0.05326955
 C  -1.48488722  -1.80953641   0.49942293
 C  -0.77305476  -0.62217047   0.17056008
 H  -3.40722614  -2.67997964   0.92482780
 H  -3.40549664   1.57170358   0.13273924
 H  -4.62760043  -0.51947296   0.71446585
 H  -0.92331004   1.52202469  -0.14831951
 H  -0.92929072  -2.74062808   0.63582548
 H  -0.33098303  -0.86723739  -1.25545143
Br   1.09491769  -0.47528903   0.82539446
Al   4.48796819   1.85747007   0.26354520
Br   4.96902079   0.90441593  -2.00443494
Br   2.64040409  -0.12000640  -2.53843771
Br   0.22982110  -1.14689541  -2.83989450
Br   4.02183529   0.03944620   1.66433232
Br   2.72465143   3.30965066   0.00228889
Br   6.54430715   2.76017795   0.75755906
 20
 Energy -18491.18731438 Gradient 0.00459157
 C  -2.86389181  -1.76722105   0.64727856
 C  -2.86344763   0.61969395   0.20329726
 C  -3.55151277  -0.55374616   0.53083970
 C  -1.47749763   0.60215368   0.06135371
 C  -1.47833785  -1.80368552   0.50561553
 C  -0.77698692  -0.60869956   0.24296082
 H  -3.40578161  -2.68468217   0.89056331
 H  -3.40384493   1.56403065   0.10061944
 H  -4.63146889  -0.52306794   0.69481785
 H  -0.91808852   1.52325376  -0.12026563
 H  -0.92305978  -2.73146730   0.66227667
 H  -0.28302629  -0.88209277  -1.41509447
Br   1.08899611  -0.47766313   0.81893133
Al   4.48398390   1.85674705   0.27790836
Br   4.96503018   0.90246767  -2.00637317
Br   2.65128611  -0.11510035  -2.53609343
Br   0.22239380  -1.14926940  -2.83958060
Br   4.02694794   0.04045450   1.66432325
Br   2.72526578   3.30948323   0.00165708
Br   6.54486668   2.76042316   0.75485948
 20
 Energy -18491.19033052 Gradient 0.00447504
 C  -2.86825982  -1.76882039   0.63103148
 C  -2.86795056   0.61529749   0.18855988
 C  -3.55844939  -0.55850444   0.50595385
 C  -1.47759067   0.60642621   0.08834872
 C  -1.47832225  -1.79818147   0.53197588
 C  -0.78411699  -0.59484942   0.31818145
 H  -3.41181499  -2.69157230   0.84943860
 H  -3.41017830   1.55572739   0.06164320
 H  -4.64197216  -0.53269315   0.64515751
 H  -0.91708027   1.52841814  -0.08454402
 H  -0.92160253  -2.72357084   0.69689612
 H  -0.27556495  -0.87472000  -1.44687652
Br   1.08341981  -0.48056312   0.81305127
Al   4.47999316   1.85804680   0.29529823
Br   4.95965850   0.90010962  -2.00840619
Br   2.66677327  -0.10827710  -2.53324163
Br   0.21399482  -1.15382725  -2.84595937
Br   4.03435356   0.04096792   1.66481099
Br   2.72602043   3.30936752   0.00074108
Br   6.54559549   2.76067235   0.75089171
 20
 Energy -18491.19274928 Gradient 0.00337989
 C  -2.87724543  -1.77103491   0.61921265
 C  -2.87688578   0.61290292   0.17770274
 C  -3.57030291  -0.56557153   0.46891144
 C  -1.48352096   0.61284739   0.12459178
 C  -1.48429746  -1.79175528   0.56760339
 C  -0.79433976  -0.58499424   0.37300109
 H  -3.42263468  -2.69799504   0.81401849
 H  -3.42079688   1.54895913   0.02802114
 H  -4.65869324  -0.54799225   0.56335109
 H  -0.92259895   1.53636192  -0.03746081
 H  -0.92694237  -2.71469805   0.74252812
 H  -0.27266270  -0.87136956  -1.46916179
Br   1.07941109  -0.48363132   0.80958318
Al   4.47733836   1.86166442   0.31187062
Br   4.95423990   0.89818623  -2.00968223
Br   2.68399499  -0.10080371  -2.53040886
Br   0.20436715  -1.15903990  -2.85407359
Br   4.04374778   0.04031193   1.66626039
Br   2.72666663   3.30946196  -0.00030611
Br   6.54677701   2.76115758   0.74569263
 20
 Energy -18491.19471168 Gradient 0.00274591
 C  -2.88916251  -1.77284373   0.60869599
 C  -2.88825236   0.61042400   0.16843945
 C  -3.58478144  -0.57351449   0.42705935
 C  -1.49345515   0.61842544   0.16034802
 C  -1.49474717  -1.78537853   0.60243155
 C  -0.80710416  -0.57700797   0.42040250
 H  -3.43467831  -2.70321574   0.78619260
 H  -3.43208691   1.54377746   0.00207355
 H  -4.67634004  -0.56432954   0.47524201
 H  -0.93282761   1.54463466   0.01361973
 H  -0.93783087  -2.70562997   0.79218626
 H  -0.26591390  -0.87068146  -1.48302196
Br   1.07530152  -0.48682306   0.80867039
Al   4.47562576   1.86621632   0.32684004
Br   4.95001782   0.89731956  -2.00973782
Br   2.70093198  -0.09361272  -2.52808496
Br   0.19417575  -1.16441341  -2.86325632
Br   4.05493664   0.03857825   1.66859142
Br   2.72711438   3.30983461  -0.00137555
Br   6.54880117   2.76214213   0.73927383
 20
 Energy -18491.19626653 Gradient 0.00219572
 C  -2.90294683  -1.77491351   0.59755621
 C  -2.90087767   0.60776231   0.15856845
 C  -3.59938788  -0.58134438   0.38545223
 C  -1.50608963   0.62309969   0.19414884
 C  -1.50848350  -1.77984260   0.63531166
 C  -0.82183941  -0.57045356   0.46348117
 H  -3.44834072  -2.70849113   0.75792877
 H  -3.44379045   1.53857967  -0.02419406
 H  -4.69200596  -0.57988912   0.38871130
 H  -0.94642799   1.55183866   0.06109981
 H  -0.95313993  -2.69803499   0.83853265
 H  -0.25324333  -0.87425281  -1.49429056
Br   1.06904503  -0.49023149   0.81064097
Al   4.47455509   1.87089910   0.34058337
Br   4.94777738   0.89797205  -2.00818734
Br   2.71677143  -0.08716879  -2.52668192
Br   0.18366906  -1.16977951  -2.87345580
Br   4.06819628   0.03599623   1.67162159
Br   2.72753848   3.31033070  -0.00225726
Br   6.55186620   2.76385509   0.73128096
 20
 Energy -18491.19746726 Gradient 0.00170980
 C  -2.91792170  -1.77720122   0.58598836
 C  -2.91407579   0.60479893   0.14822241
 C  -3.61365496  -0.58872462   0.34621125
 C  -1.52060334   0.62641550   0.22359392
 C  -1.52464166  -1.77567100   0.66398753
 C  -0.83870353  -0.56551617   0.50181231
 H  -3.46290252  -2.71352782   0.73112213
 H  -3.45536602   1.53362294  -0.04920952
 H  -4.70566002  -0.59395497   0.30884624
 H  -0.96164600   1.55722832   0.10306055
 H  -0.97126875  -2.69210813   0.88016100
 H  -0.23561463  -0.88303572  -1.50134940
Br   1.05922570  -0.49390042   0.81613630
Al   4.47441599   1.87509570   0.35332238
Br   4.94789416   0.90041604  -2.00472236
Br   2.73108966  -0.08178809  -2.52655664
Br   0.17332421  -1.17493514  -2.88470983
Br   4.08357506   0.03278813   1.67518112
Br   2.72809640   3.31078714  -0.00263840
Br   6.55609649   2.76647815   0.72125288
 20
 Energy -18491.1984016 Gradient 0.00132837
 C  -2.93403177  -1.77990703   0.57432290
 C  -2.92784194   0.60174205   0.13775266
 C  -3.62776737  -0.59528732   0.31173983
 C  -1.53645522   0.62827284   0.24714180
 C  -1.54271599  -1.77330385   0.68661509
 C  -0.85725692  -0.56245426   0.53355502
 H  -3.47871166  -2.71839600   0.70612391
 H  -3.46716403   1.52892098  -0.07237181
 H  -4.71801889  -0.60563547   0.24045796
 H  -0.97815454   1.56069146   0.13714630
 H  -0.99159803  -2.68843200   0.91347663
 H  -0.20999644  -0.89691089  -1.50596608
Br   1.04549992  -0.49781111   0.82548589
Al   4.47577765   1.87847103   0.36470338
Br   4.95009820   0.90444757  -1.99942439
Br   2.74374144  -0.07764653  -2.52789523
Br   0.16405157  -1.17950917  -2.89664117
Br   4.10045413   0.02921666   1.67912800
Br   2.72886722   3.31098787  -0.00213887
Br   6.56144586   2.77013016   0.70898378
 20
 Energy -18491.19917563 Gradient 0.00106413
 C  -2.95141290  -1.78274775   0.56311804
 C  -2.94239727   0.59863585   0.12783138
 C  -3.64254988  -0.60078787   0.28317018
 C  -1.55333695   0.62853127   0.26452120
 C  -1.56230405  -1.77270440   0.70294048
 C  -0.87726313  -0.56131983   0.55853486
 H  -3.49593465  -2.72278759   0.68406163
 H  -3.47951627   1.52475956  -0.09243210
 H  -4.73073936  -0.61464925   0.18560657
 H  -0.99520769   1.56196836   0.16321237
 H  -1.01341326  -2.68700408   0.93839129
 H  -0.17686377  -0.91473642  -1.50747943
Br   1.02857223  -0.50192601   0.83801505
Al   4.47821485   1.88103019   0.37429385
Br   4.95352202   0.90946317  -1.99284191
Br   2.75505523  -0.07463142  -2.53067987
Br   0.15697655  -1.18312346  -2.90855003
Br   4.11770131   0.02578233   1.68315880
Br   2.73019338   3.31052409  -0.00024579
Br   6.56760916   2.77470694   0.69460272
 20
 Energy -18491.19983439 Gradient 0.00088638
 C  -2.97022485  -1.78563655   0.55305969
 C  -2.95792525   0.59567166   0.11899814
 C  -3.65846727  -0.60530862   0.26008966
 C  -1.57110429   0.62771396   0.27739131
 C  -1.58325657  -1.77337828   0.71487242
 C  -0.89855668  -0.56161167   0.57833685
 H  -3.51489533  -2.72670935   0.66504464
 H  -3.49281200   1.52108679  -0.10951368
 H  -4.74459992  -0.62133094   0.14221672
 H  -1.01281357   1.56168883   0.18280024
 H  -1.03671613  -2.68723081   0.95718098
 H  -0.12930381  -0.93910384  -1.50537588
Br   1.00938262  -0.50635423   0.85209024
Al   4.48159831   1.88278480   0.38202702
Br   4.95742504   0.91476814  -1.98580280
Br   2.76561054  -0.07242842  -2.53483003
Br   0.15299116  -1.18550608  -2.91947128
Br   4.13413545   0.02293699   1.68703946
Br   2.73209496   3.30925306   0.00340781
Br   6.57410465   2.77987476   0.67847962
 20
 Energy -18491.2004163 Gradient 0.00077141
 C  -2.99040567  -1.78828584   0.54518604
 C  -2.97480477   0.59297967   0.11241818
 C  -3.67574548  -0.60906135   0.24192191
 C  -1.59014958   0.62651864   0.28897406
 C  -1.60544034  -1.77455027   0.72538938
 C  -0.92195292  -0.56228708   0.59684205
 H  -3.53522350  -2.73016531   0.64930017
 H  -3.50743646   1.51789971  -0.12328741
 H  -4.75993328  -0.62655923   0.10744918
 H  -1.03152096   1.56069790   0.19953968
 H  -1.06098955  -2.68824767   0.97294329
 H  -0.04624341  -0.97322420  -1.49523362
Br   0.98871608  -0.51134065   0.86470982
Al   4.48570770   1.88391606   0.38805326
Br   4.96161526   0.91983562  -1.97905064
Br   2.77594428  -0.07070459  -2.54074648
Br   0.15289717  -1.18655361  -2.92778164
Br   4.14864959   0.02083183   1.69058974
Br   2.73417111   3.30739422   0.00868914
Br   6.58056549   2.78515307   0.66150518
 20
 Energy -18491.20100638 Gradient 0.00071954
 C  -3.01149207  -1.79022217   0.54145457
 C  -2.99284845   0.59100546   0.10967306
 C  -3.69394918  -0.61186184   0.22925518
 C  -1.61011747   0.62574749   0.30188084
 C  -1.62849424  -1.77522614   0.73792280
 C  -0.94725932  -0.56255425   0.61638707
 H  -3.55640881  -2.73282003   0.63829865
 H  -3.52328515   1.51541605  -0.13285354
 H  -4.77616967  -0.63060802   0.08008331
 H  -1.05080578   1.55968198   0.21536227
 H  -1.08595725  -2.68891249   0.98930626
 H   0.09972589  -1.02415112  -1.47720374
Br   0.96773884  -0.51727328   0.87112287
Al   4.48989292   1.88467359   0.39207133
Br   4.96614085   0.92432679  -1.97313201
Br   2.78631811  -0.06894053  -2.54920329
Br   0.15704872  -1.18629297  -2.93013074
Br   4.15998055   0.01950715   1.69340513
Br   2.73598930   3.30536795   0.01478814
Br   6.58640069   2.78973203   0.64573272
 20
 Energy -18491.20164052 Gradient 0.00079389
 C  -3.03400751  -1.79086570   0.54305341
 C  -3.01208294   0.59019140   0.11091577
 C  -3.71350054  -0.61311021   0.22278365
 C  -1.63087094   0.62536613   0.31502190
 C  -1.65266810  -1.77542230   0.75192358
 C  -0.97297505  -0.56292475   0.63404688
 H  -3.57924485  -2.73381430   0.63442687
 H  -3.54038764   1.51427038  -0.13737925
 H  -4.79395142  -0.63263251   0.06134344
 H  -1.07061253   1.55872337   0.22946065
 H  -1.11163778  -2.68934129   1.00564342
 H   0.24184927  -1.06667737  -1.46306623
Br   0.94645999  -0.52487058   0.86932729
Al   4.49383339   1.88500045   0.39454226
Br   4.97167917   0.92847717  -1.96824907
Br   2.79727145  -0.06636403  -2.56023901
Br   0.16524383  -1.18541153  -2.92388903
Br   4.16825268   0.01880575   1.69543827
Br   2.73742615   3.30336192   0.02114488
Br   6.59150254   2.79348628   0.63172164
 20
 Energy -18491.20226229 Gradient 0.00079555
 C  -3.05839702  -1.79056816   0.54871271
 C  -3.03278278   0.59029210   0.11525331
 C  -3.73514161  -0.61272718   0.22295483
 C  -1.65223492   0.62466284   0.32523151
 C  -1.67792978  -1.77605309   0.76344445
 C  -0.99774066  -0.56450590   0.64529143
 H  -3.60470593  -2.73307677   0.63789681
 H  -3.55920436   1.51454960  -0.13627372
 H  -4.81452058  -0.63194542   0.05446306
 H  -1.09043981   1.55701415   0.23942479
 H  -1.13838897  -2.69051908   1.01798446
 H   0.31735493  -1.07820115  -1.45030441
Br   0.92473004  -0.53389072   0.86221677
Al   4.49770117   1.88486142   0.39600572
Br   4.97885023   0.93288576  -1.96454765
Br   2.80881699  -0.06294535  -2.57200539
Br   0.17612779  -1.18463071  -2.91112015
Br   4.17452858   0.01845267   1.69700828
Br   2.73866738   3.30125893   0.02779379
Br   6.59625336   2.79688871   0.61843044
 20
 Energy -18491.20286159 Gradient 0.00077425
 C  -3.08372582  -1.78954942   0.55657454
 C  -3.05395081   0.59107557   0.12192070
 C  -3.75810073  -0.61087492   0.22908900
 C  -1.67324047   0.62318752   0.33185977
 C  -1.70315827  -1.77751321   0.77123842
 C  -1.02163209  -0.56739458   0.65084481
 H  -3.63160377  -2.73109899   0.64605766
 H  -3.57867658   1.51611063  -0.13022999
 H  -4.83724825  -0.62857491   0.05900670
 H  -1.10974409   1.55432554   0.24455393
 H  -1.16494664  -2.69300290   1.02495288
 H   0.36091601  -1.07370184  -1.43420193
Br   0.90336679  -0.54334401   0.85258683
Al   4.50150975   1.88448542   0.39622546
Br   4.98726723   0.93772694  -1.96222956
Br   2.82013499  -0.05940277  -2.58238793
Br   0.18820818  -1.18398814  -2.89557954
Br   4.17924139   0.01830240   1.69808549
Br   2.73976368   3.29913455   0.03463888
Br   6.60082597   2.79996913   0.60580785
 20
 Energy -18491.20345598 Gradient 0.00075358
 C  -3.10923623  -1.78817838   0.56575451
 C  -3.07523486   0.59234565   0.13043815
 C  -3.78158919  -0.60809824   0.23920019
 C  -1.69382511   0.62143073   0.33686568
 C  -1.72801465  -1.77936812   0.77664782
 C  -1.04473499  -0.57084104   0.65338823
 H  -3.65899201  -2.72847421   0.65665777
 H  -3.59839108   1.51848928  -0.12079417
 H  -4.86109793  -0.62355896   0.07119042
 H  -1.12836247   1.55111141   0.24709373
 H  -1.19116560  -2.69617960   1.02809703
 H   0.39783083  -1.06748020  -1.41721614
Br   0.88239233  -0.55289708   0.84131876
Al   4.50552959   1.88375398   0.39517410
Br   4.99639608   0.94296772  -1.96111573
Br   2.83102415  -0.05608637  -2.59089058
Br   0.20101537  -1.18339121  -2.87896404
Br   4.18269797   0.01849301   1.69847617
Br   2.74076447   3.29693292   0.04149040
Br   6.60526025   2.80275283   0.59406661
 20
 Energy -18491.2040184 Gradient 0.00072576
 C  -3.13480799  -1.78652157   0.57625228
 C  -3.09654534   0.59389243   0.14034422
 C  -3.80535722  -0.60478087   0.25212438
 C  -1.71407860   0.61962435   0.34061711
 C  -1.75260511  -1.78128102   0.78128363
 C  -1.06755819  -0.57450429   0.65423444
 H  -3.68647095  -2.72544235   0.66951115
 H  -3.61838459   1.52129384  -0.10892035
 H  -4.88553144  -0.61754448   0.08824401
 H  -1.14665188   1.54774858   0.24774432
 H  -1.21691037  -2.69953366   1.02991883
 H   0.42654185  -1.06091420  -1.39836140
Br   0.86162765  -0.56249924   0.82893583
Al   4.50992662   1.88303280   0.39337024
Br   5.00592687   0.94862383  -1.96115886
Br   2.84153280  -0.05310064  -2.59748308
Br   0.21452172  -1.18288952  -2.86209230
Br   4.18512701   0.01888668   1.69811027
Br   2.74183904   3.29459258   0.04826883
Br   6.60961818   2.80538627   0.58313998
 20
 Energy -18491.20453988 Gradient 0.00068898
 C  -3.16057175  -1.78452184   0.58824416
 C  -3.11799175   0.59572365   0.15126370
 C  -3.82942050  -0.60094359   0.26738535
 C  -1.73427368   0.61766862   0.34374258
 C  -1.77716252  -1.78333143   0.78549751
 C  -1.09013818  -0.57834077   0.65420510
 H  -3.71439691  -2.72184216   0.68459773
 H  -3.63850827   1.52447469  -0.09564901
 H  -4.91048240  -0.61075612   0.10932930
 H  -1.16465014   1.54402354   0.24695753
 H  -1.24268791  -2.70304859   1.03098827
 H   0.45101342  -1.05498433  -1.37991529
Br   0.84084489  -0.57209113   0.81609536
Al   4.51445430   1.88260494   0.39123876
Br   5.01566287   0.95476808  -1.96216631
Br   2.85178389  -0.05053734  -2.60229850
Br   0.22865720  -1.18258308  -2.84574482
Br   4.18677564   0.01925862   1.69693436
Br   2.74300376   3.29224113   0.05495759
Br   6.61417161   2.80795985   0.57288531
 20
 Energy -18491.20503113 Gradient 0.00064158
 C  -3.18670316  -1.78226704   0.60126096
 C  -3.13979036   0.59783583   0.16365551
 C  -3.85397967  -0.59666258   0.28472792
 C  -1.75474083   0.61570913   0.34723619
 C  -1.80195693  -1.78544238   0.78939728
 C  -1.11287947  -0.58235630   0.65362287
 H  -3.74263429  -2.71792523   0.70123704
 H  -3.65902480   1.52810992  -0.08012801
 H  -4.93608963  -0.60321127   0.13374179
 H  -1.18302453   1.54033234   0.24665112
 H  -1.26870721  -2.70685561   1.03117200
 H   0.46974274  -1.04954325  -1.36146635
Br   0.81978817  -0.58163219   0.80354353
Al   4.51935819   1.88209394   0.38827900
Br   5.02563433   0.96141424  -1.96391742
Br   2.86177089  -0.04841395  -2.60533748
Br   0.24345688  -1.18264417  -2.83076655
Br   4.18789838   0.01970476   1.69484932
Br   2.74434949   3.28993348   0.06152571
Br   6.61896516   2.81057671   0.56328505
 20
 Energy -18491.20547282 Gradient 0.00058399
 C  -3.21339717  -1.77980056   0.61562153
 C  -3.16206002   0.60020013   0.17750560
 C  -3.87907325  -0.59201350   0.30401681
 C  -1.77559132   0.61377191   0.35102082
 C  -1.82726690  -1.78747424   0.79371475
 C  -1.13590539  -0.58641608   0.65303150
 H  -3.77157660  -2.71368847   0.71952667
 H  -3.68003491   1.53208610  -0.06269962
 H  -4.96226158  -0.59510869   0.16099469
 H  -1.20177624   1.53662461   0.24629558
 H  -1.29534171  -2.71057851   1.03165425
 H   0.48414950  -1.04553753  -1.34535921
Br   0.79814796  -0.59105773   0.79208176
Al   4.52475257   1.88182295   0.38460207
Br   5.03575623   0.96857571  -1.96643356
Br   2.87154642  -0.04674227  -2.60652168
Br   0.25891479  -1.18327194  -2.81809491
Br   4.18874265   0.02013256   1.69165104
Br   2.74601868   3.28769062   0.06799056
Br   6.62404115   2.81331930   0.55439003
 20
 Energy -18491.20586279 Gradient 0.00052296
 C  -3.24056945  -1.77714101   0.63129087
 C  -3.18488880   0.60270054   0.19262859
 C  -3.90475588  -0.58712122   0.32508034
 C  -1.79706544   0.61185913   0.35558301
 C  -1.85308331  -1.78946975   0.79874350
 C  -1.15946426  -0.59045167   0.65299839
 H  -3.80091455  -2.70921145   0.73945880
 H  -3.70160385   1.53627547  -0.04367194
 H  -4.98907212  -0.58664492   0.19077696
 H  -1.22123539   1.53293220   0.24674517
 H  -1.32239717  -2.71431025   1.03270182
 H   0.49335655  -1.04264056  -1.33156650
Br   0.77582401  -0.60021599   0.78247705
Al   4.53061154   1.88186863   0.38079269
Br   5.04580427   0.97632681  -1.96951327
Br   2.88134350  -0.04554583  -2.60614136
Br   0.27483042  -1.18472575  -2.80858827
Br   4.18952471   0.02033645   1.68718533
Br   2.74809285   3.28563777   0.07429810
Br   6.62949516   2.81633560   0.54623658
 20
 Energy -18491.2062014 Gradient 0.00046275
 C  -3.26812313  -1.77443872   0.64804287
 C  -3.20818747   0.60522002   0.20899981
 C  -3.93082060  -0.58222310   0.34733698
 C  -1.81902370   0.61014178   0.36118154
 C  -1.87939571  -1.79122385   0.80488576
 C  -1.18340362  -0.59427846   0.65410696
 H  -3.83055522  -2.70474944   0.76049913
 H  -3.72374723   1.54040083  -0.02332957
 H  -5.01616138  -0.57815394   0.22173730
 H  -1.24124075   1.52951611   0.24829690
 H  -1.35001661  -2.71769413   1.03511689
 H   0.49922816  -1.04144835  -1.32208361
Br   0.75277442  -0.60894158   0.77521892
Al   4.53680233   1.88248643   0.37717819
Br   5.05554001   0.98448476  -1.97308123
Br   2.89135022  -0.04475207  -2.60448937
Br   0.29094215  -1.18727586  -2.80268033
Br   4.19044103   0.02025007   1.68148294
Br   2.75065658   3.28399100   0.08033922
Br   6.63531005   2.81960600   0.53892950
 20
 Energy -18491.20651671 Gradient 0.00040905
 C  -3.29582820  -1.77166317   0.66596727
 C  -3.23187687   0.60776180   0.22617054
 C  -3.95712742  -0.57737282   0.37044429
 C  -1.84161208   0.60833372   0.36800804
 C  -1.90594275  -1.79282494   0.81231561
 C  -1.20761009  -0.59795500   0.65638979
 H  -3.86023293  -2.70020507   0.78283420
 H  -3.74615885   1.54458744  -0.00228391
 H  -5.04343634  -0.56988529   0.25359725
 H  -1.26205467   1.52605335   0.25117595
 H  -1.37782345  -2.72090176   1.03898654
 H   0.50100699  -1.04131169  -1.31594980
Br   0.72925621  -0.61711673   0.77025306
Al   4.54323901   1.88360977   0.37388364
Br   5.06488480   0.99293986  -1.97693720
Br   2.90157886  -0.04431568  -2.60196528
Br   0.30689834  -1.19104397  -2.80028295
Br   4.19164548   0.01983905   1.67468876
Br   2.75374330   3.28296610   0.08583922
Br   6.64138556   2.82310726   0.53276013
 20
 Energy -18491.20678964 Gradient 0.00036340
 C  -3.32341689  -1.76887496   0.68447713
 C  -3.25557949   0.61033789   0.24420319
 C  -3.98333199  -0.57253721   0.39416194
 C  -1.86425111   0.60672131   0.37582006
 C  -1.93256350  -1.79431241   0.82071960
 C  -1.23192965  -0.60146658   0.65985470
 H  -3.88974314  -2.69571941   0.80557200
 H  -3.76866138   1.54876491   0.01965760
 H  -5.07046524  -0.56172713   0.28563330
 H  -1.28291989   1.52286555   0.25541931
 H  -1.40576583  -2.72393591   1.04395277
 H   0.50061890  -1.04288192  -1.31360062
Br   0.70545263  -0.62476610   0.76707749
Al   4.54971781   1.88503277   0.37090679
Br   5.07371756   1.00165807  -1.98070926
Br   2.91193407  -0.04418890  -2.59909070
Br   0.32243568  -1.19598371  -2.80065761
Br   4.19328651   0.01892576   1.66691104
Br   2.75748272   3.28270260   0.09077126
Br   6.64747784   2.82688072   0.52778846
 20
 Energy -18491.20703369 Gradient 0.00032458
 C  -3.35085533  -1.76594246   0.70344643
 C  -3.27909415   0.61292325   0.26199954
 C  -4.00929628  -0.56767482   0.41781926
 C  -1.88689997   0.60529294   0.38396040
 C  -1.95909204  -1.79548590   0.82996753
 C  -1.25631052  -0.60453185   0.66476882
 H  -3.91899859  -2.69110255   0.82859774
 H  -3.79091152   1.55279352   0.04064652
 H  -5.09718302  -0.55362609   0.31748680
 H  -1.30386547   1.51978796   0.25959192
 H  -1.43353652  -2.72657190   1.05002996
 H   0.49776378  -1.04500184  -1.31325283
Br   0.68148046  -0.63203399   0.76523981
Al   4.55605526   1.88685411   0.36832786
Br   5.08199882   1.01049326  -1.98438621
Br   2.92234084  -0.04431148  -2.59622709
Br   0.33754178  -1.20203988  -2.80291935
Br   4.19541547   0.01748738   1.65828411
Br   2.76187123   3.28346505   0.09530860
Br   6.65350994   2.83071489   0.52398946
 20
 Energy -18491.20725186 Gradient 0.00028814
 C  -3.37797127  -1.76298081   0.72308361
 C  -3.30271597   0.61547377   0.28024284
 C  -4.03511861  -0.56301585   0.44157337
 C  -1.90971611   0.60409249   0.39294124
 C  -1.98548527  -1.79632510   0.84024038
 C  -1.28048029  -0.60746276   0.66935068
 H  -3.94778597  -2.68650550   0.85275169
 H  -3.81341346   1.55674066   0.06228105
 H  -5.12363377  -0.54595328   0.34878663
 H  -1.32516748   1.51714443   0.26505740
 H  -1.46115110  -2.72870455   1.05764176
 H   0.49452216  -1.04866414  -1.31461349
Br   0.65756425  -0.63894615   0.76375863
Al   4.56240738   1.88894769   0.36602302
Br   5.08972354   1.01935327  -1.98803384
Br   2.93262333  -0.04461051  -2.59356948
Br   0.35226912  -1.20906145  -2.80617052
Br   4.19794279   0.01568444   1.64908473
Br   2.76683521   3.28516308   0.09942894
Br   6.65948663   2.83458659   0.52144860
 20
 Energy -18491.20744594 Gradient 0.00025810
 C  -3.40464202  -1.76012962   0.74316787
 C  -3.32626850   0.61800718   0.29946352
 C  -4.06062582  -0.55848972   0.46623947
 C  -1.93254660   0.60305483   0.40238609
 C  -2.01142216  -1.79707479   0.85062022
 C  -1.30452525  -0.61007928   0.67452743
 H  -3.97588165  -2.68215367   0.87706665
 H  -3.83600851   1.56060895   0.08513592
 H  -5.14973789  -0.53851637   0.38150599
 H  -1.34669794   1.51471899   0.27079695
 H  -1.48809838  -2.73072534   1.06494403
 H   0.49035397  -1.05247113  -1.31674759
Br   0.63380665  -0.64546104   0.76209303
Al   4.56852463   1.89117433   0.36412183
Br   5.09692009   1.02830746  -1.99167600
Br   2.94271612  -0.04498863  -2.59124775
Br   0.36670678  -1.21702539  -2.81000313
Br   4.20081910   0.01361943   1.63944997
Br   2.77234853   3.28771335   0.10323434
Br   6.66527574   2.83831115   0.52005800
 20
 Energy -18491.20761673 Gradient 0.00022953
 C  -3.43080325  -1.75727520   0.76387295
 C  -3.34972169   0.62048191   0.31878868
 C  -4.08582921  -0.55406816   0.49144934
 C  -1.95530483   0.60209592   0.41189630
 C  -2.03695898  -1.79769464   0.86147433
 C  -1.32835257  -0.61249501   0.68008976
 H  -4.00336165  -2.67781977   0.90229204
 H  -3.85859512   1.56431716   0.10784554
 H  -5.17549007  -0.53136245   0.41472415
 H  -1.36821381   1.51241163   0.27643015
 H  -1.51451205  -2.73252219   1.07278112
 H   0.48577262  -1.05651953  -1.31994150
Br   0.61022434  -0.65150619   0.76026056
Al   4.57471556   1.89369411   0.36237708
Br   5.10350950   1.03728088  -1.99536780
Br   2.95253127  -0.04540670  -2.58923349
Br   0.38096642  -1.22596855  -2.81420721
Br   4.20391988   0.01130267   1.62941533
Br   2.77832246   3.29102532   0.10695659
Br   6.67098420   2.84192228   0.51965074
 20
 Energy -18491.20776686 Gradient 0.00020262
 C  -3.45651868  -1.75442033   0.78506860
 C  -3.37293839   0.62288941   0.33825551
 C  -4.11062789  -0.54977577   0.51689245
 C  -1.97793397   0.60123817   0.42142158
 C  -2.06206259  -1.79813328   0.87269612
 C  -1.35195222  -0.61471791   0.68568055
 H  -4.03021959  -2.67353357   0.92810444
 H  -3.88103201   1.56788438   0.13067490
 H  -5.20077349  -0.52444745   0.44830879
 H  -1.38975915   1.51018515   0.28176687
 H  -1.54041002  -2.73403214   1.08111621
 H   0.48065327  -1.06321880  -1.32331270
Br   0.58683370  -0.65728533   0.75805324
Al   4.58097827   1.89641611   0.36114153
Br   5.10947016   1.04634658  -1.99905373
Br   2.96188280  -0.04579725  -2.58735326
Br   0.39515471  -1.23569179  -2.81870374
Br   4.20699526   0.00887182   1.61917966
Br   2.78475884   3.29489883   0.11052991
Br   6.67690281   2.84540314   0.52000690
 20
 Energy -18491.20789923 Gradient 0.00017799
 C  -3.48173876  -1.75155284   0.80661168
 C  -3.39595828   0.62525984   0.35781210
 C  -4.13506020  -0.54550997   0.54280012
 C  -2.00040964   0.60042008   0.43075701
 C  -2.08678934  -1.79849632   0.88400795
 C  -1.37530056  -0.61680269   0.69124387
 H  -4.05649070  -2.66923810   0.95453015
 H  -3.90333736   1.57134831   0.15349705
 H  -5.22562982  -0.51761295   0.48254715
 H  -1.41125158   1.50806530   0.28680481
 H  -1.56587611  -2.73546066   1.08948330
 H   0.47622212  -1.06697520  -1.32768512
Br   0.56370505  -0.66268927   0.75539827
Al   4.58703708   1.89903185   0.35965353
Br   5.11502027   1.05563913  -2.00284188
Br   2.97089168  -0.04613233  -2.58574088
Br   0.40920346  -1.24640634  -2.82324908
Br   4.21002567   0.00644097   1.60883558
Br   2.79163596   3.29953690   0.11425829
Br   6.68281667   2.84842107   0.52115155
 20
 Energy -18491.20801112 Gradient 0.00015426
 C  -3.50620913  -1.74891630   0.82841665
 C  -3.41891301   0.62741346   0.37754430
 C  -4.15904050  -0.54169052   0.56887882
 C  -2.02290722   0.59976440   0.44016403
 C  -2.11079234  -1.79869458   0.89546305
 C  -1.39833478  -0.61858005   0.69668575
 H  -4.08168302  -2.66533384   0.98126153
 H  -3.92581701   1.57447853   0.17660496
 H  -5.24998121  -0.51155756   0.51702253
 H  -1.43312384   1.50625353   0.29172342
 H  -1.59034661  -2.73656005   1.09799577
 H   0.47129418  -1.07260331  -1.33208069
Br   0.54083101  -0.66735108   0.75230505
Al   4.59294176   1.90174771   0.35835643
Br   5.11997792   1.06511222  -2.00679913
Br   2.97958808  -0.04644098  -2.58461512
Br   0.42328399  -1.25825336  -2.82772414
Br   4.21299980   0.00402986   1.59845833
Br   2.79888197   3.30496703   0.11824696
Br   6.68872258   2.85085085   0.52291033
 20
 Energy -18491.20810874 Gradient 0.00013251
 C  -3.52987453  -1.74660629   0.85034561
 C  -3.44182830   0.62924452   0.39730119
 C  -4.18256931  -0.53836910   0.59518775
 C  -2.04542121   0.59919400   0.44939487
 C  -2.13408335  -1.79881689   0.90688789
 C  -1.42103995  -0.62006394   0.70205479
 H  -4.10578384  -2.66189390   1.00824643
 H  -3.94855143   1.57710520   0.19970204
 H  -5.27382521  -0.50626935   0.55188312
 H  -1.45526420   1.50468239   0.29640005
 H  -1.61380782  -2.73738981   1.10645191
 H   0.46659282  -1.07931376  -1.33706923
Br   0.51827614  -0.67134630   0.74880783
Al   4.59862881   1.90461324   0.35743326
Br   5.12418259   1.07513910  -2.01078916
Br   2.98789716  -0.04664404  -2.58375909
Br   0.43745924  -1.27117889  -2.83234261
Br   4.21578119   0.00165106   1.58821201
Br   2.80647221   3.31107920   0.12253936
Br   6.69489544   2.85240233   0.52494455
 20
 Energy -18491.20818691 Gradient 0.00011139
 C  -3.55263706  -1.74506987   0.87155130
 C  -3.46491300   0.63041687   0.41673884
 C  -4.20568408  -0.53609593   0.62089698
 C  -2.06818866   0.59860348   0.45849939
 C  -2.15651744  -1.79905545   0.91771285
 C  -1.44343704  -0.62125689   0.70742474
 H  -4.12848393  -2.65956440   1.03416848
 H  -3.97183684   1.57886336   0.22248880
 H  -5.29719723  -0.50256551   0.58599654
 H  -1.47814246   1.50337929   0.30104446
 H  -1.63600829  -2.73816455   1.11414420
 H   0.46187183  -1.08533758  -1.34247859
Br   0.49597920  -0.67431807   0.74492389
Al   4.60435619   1.90755022   0.35658953
Br   5.12764695   1.08564682  -2.01468411
Br   2.99586065  -0.04673766  -2.58314298
Br   0.45180729  -1.28539035  -2.83688416
Br   4.21831938  -0.00040544   1.57823999
Br   2.81429676   3.31768679   0.12777699
Br   6.70138217   2.85317014   0.52658936
 20
 Energy -18491.2082559 Gradient 0.00009138
 C  -3.57442053  -1.74388253   0.89292523
 C  -3.48774918   0.63124321   0.43623568
 C  -4.22816883  -0.53436022   0.64671699
 C  -2.09076187   0.59802899   0.46733268
 C  -2.17804352  -1.79927840   0.92850170
 C  -1.46537345  -0.62240046   0.71173866
 H  -4.14993232  -2.65766995   1.06064169
 H  -3.99515117   1.58016231   0.24559718
 H  -5.31988802  -0.49966573   0.62037115
 H  -1.50105668   1.50222523   0.30538534
 H  -1.65705669  -2.73873528   1.12188938
 H   0.45734050  -1.09345501  -1.34827173
Br   0.47414591  -0.67650245   0.74021854
Al   4.60982168   1.91052790   0.35636610
Br   5.13030429   1.09634222  -2.01841846
Br   3.00334537  -0.04684959  -2.58275629
Br   0.46620364  -1.30077964  -2.84149118
Br   4.22031408  -0.00215571   1.56893574
Br   2.82258625   3.32517086   0.13365378
Br   6.70824973   2.85318141   0.52782034
 20
 Energy -18491.20830788 Gradient 0.00007446
 C  -3.59500909  -1.74277114   0.91503448
 C  -3.51003636   0.63175973   0.45507433
 C  -4.24972488  -0.53296234   0.67285562
 C  -2.11286233   0.59741608   0.47509617
 C  -2.19843133  -1.79927938   0.93964404
 C  -1.48649231  -0.62321712   0.71601220
 H  -4.16987796  -2.65590548   1.08840526
 H  -4.01813054   1.58092606   0.26753628
 H  -5.34159084  -0.49735667   0.65542383
 H  -1.52381054   1.50105520   0.30783882
 H  -1.67674526  -2.73890158   1.13031896
 H   0.45283624  -1.10147750  -1.35483515
Br   0.45307268  -0.67801028   0.73455957
Al   4.61501862   1.91375149   0.35634181
Br   5.13194447   1.10693768  -2.02186315
Br   3.01010790  -0.04718543  -2.58262976
Br   0.48030735  -1.31742728  -2.84642474
Br   4.22169770  -0.00341762   1.56017604
Br   2.83163032   3.33422114   0.14051033
Br   6.71550597   2.85200194   0.52877945
 20
 Energy -18491.20834638 Gradient 0.00005767
 C  -3.61378346  -1.74284197   0.93640246
 C  -3.53218031   0.63088435   0.47196162
 C  -4.27030427  -0.53337176   0.69738487
 C  -2.13488379   0.59646086   0.48145153
 C  -2.21705447  -1.79941985   0.95051047
 C  -1.50670321  -0.62379317   0.71960534
 H  -4.18734237  -2.65565289   1.11570918
 H  -4.04158230   1.57982550   0.28684482
 H  -5.36226591  -0.49766885   0.68841773
 H  -1.54714970   1.49990133   0.30862150
 H  -1.69404630  -2.73872329   1.13907513
 H   0.44805844  -1.11019240  -1.36193386
Br   0.43289819  -0.67805806   0.72822771
Al   4.62013154   1.91731317   0.35661235
Br   5.13223306   1.11766319  -2.02509901
Br   3.01590978  -0.04780277  -2.58261999
Br   0.49407057  -1.33541865  -2.85140430
Br   4.22238449  -0.00403073   1.55185750
Br   2.84146012   3.34479077   0.14918668
Br   6.72353322   2.84935757   0.52910707
 20
 Energy -18491.20837859 Gradient 0.00004324
 C  -3.63043152  -1.74468282   0.95681280
 C  -3.55408162   0.62802633   0.48646961
 C  -4.28963864  -0.53625002   0.72002314
 C  -2.15671924   0.59472125   0.48577112
 C  -2.23358933  -1.80013719   0.96080084
 C  -1.52579974  -0.62449763   0.72204443
 H  -4.20191512  -2.65752334   1.14247488
 H  -4.06556603   1.57618223   0.30308140
 H  -5.38166499  -0.50134920   0.71921631
 H  -1.57105849   1.49832471   0.30691306
 H  -1.70850244  -2.73856128   1.14794744
 H   0.44335707  -1.12020017  -1.36918952
Br   0.41381469  -0.67664485   0.72091981
Al   4.62549983   1.92107993   0.35791431
Br   5.13075024   1.12913518  -2.02834537
Br   3.02038360  -0.04827921  -2.58262950
Br   0.50727677  -1.35464619  -2.85628319
Br   4.22277250  -0.00436450   1.54442247
Br   2.85196813   3.35613451   0.15941080
Br   6.73251788   2.84577478   0.52902996
 20
 Energy -18491.20839788 Gradient 0.00002917
 C  -3.64370282  -1.74932835   0.97491088
 C  -3.57564381   0.62188603   0.49599969
 C  -4.30712346  -0.54315902   0.73832831
 C  -2.17823673   0.59164663   0.48647398
 C  -2.24674379  -1.80170655   0.97015169
 C  -1.54306239  -0.62534621   0.72286795
 H  -4.21193888  -2.66277657   1.16742550
 H  -4.09037596   1.56830473   0.31273601
 H  -5.39920351  -0.51062914   0.74456175
 H  -1.59579335   1.49599983   0.30106548
 H  -1.71841087  -2.73828354   1.15738809
 H   0.43897890  -1.12871972  -1.37641490
Br   0.39661982  -0.67278926   0.71308988
Al   4.63080985   1.92473915   0.35961873
Br   5.12742691   1.14033483  -2.03096845
Br   3.02313776  -0.04888306  -2.58263600
Br   0.51913075  -1.37468689  -2.86056758
Br   4.22228871  -0.00388199   1.53845785
Br   2.86385124   3.36923846   0.17225351
Br   6.74223244   2.84047355   0.52695553
 20
 Energy -18491.20840833 Gradient 0.00001901
 C  -3.65136767  -1.76051000   0.98755676
 C  -3.59721862   0.60868367   0.49711856
 C  -4.32183416  -0.55879875   0.74816502
 C  -2.19972677   0.58536562   0.48177323
 C  -2.25420066  -1.80593174   0.97706233
 C  -1.55742657  -0.62727874   0.72123939
 H  -4.21417980  -2.67585128   1.18688406
 H  -4.11744633   1.55165789   0.31162752
 H  -5.41402417  -0.53165367   0.75905292
 H  -1.62267786   1.49178764   0.28976285
 H  -1.72041155  -2.73892636   1.16667517
 H   0.43517013  -1.13579476  -1.38186676
Br   0.38240854  -0.66495231   0.70602305
Al   4.63577766   1.92804315   0.36198171
Br   5.12237144   1.15041063  -2.03280315
Br   3.02357871  -0.04904055  -2.58283718
Br   0.52759109  -1.39272077  -2.86313034
Br   4.22011659  -0.00274519   1.53426393
Br   2.87790755   3.38489695   0.18741288
Br   6.75326592   2.83160491   0.52284601
 20
 Energy -18491.20840949 Gradient 0.00001144
 C  -3.65726368  -1.77381523   0.99378268
 C  -3.61699423   0.59092956   0.48142043
 C  -4.33482909  -0.57831434   0.74343577
 C  -2.21944003   0.57562478   0.46604204
 C  -2.25985916  -1.81121508   0.98330410
 C  -1.56993906  -0.63095177   0.71643126
 H  -4.21463736  -2.69056933   1.20172932
 H  -4.14268602   1.52914703   0.28735730
 H  -5.42715375  -0.55743659   0.75436338
 H  -1.64790971   1.48370881   0.26563067
 H  -1.72060994  -2.73930563   1.18134316
 H   0.43105727  -1.13969987  -1.38476063
Br   0.37005862  -0.65735036   0.70169643
Al   4.64174396   1.93087903   0.36469541
Br   5.11722055   1.15737333  -2.03333364
Br   3.02147844  -0.04801667  -2.58183921
Br   0.53118124  -1.40419622  -2.86391047
Br   4.21655208  -0.00022224   1.53273902
Br   2.89450824   3.40162644   0.20213620
Br   6.76671454   2.81876588   0.51803008
 20
 Energy -18491.20841897 Gradient 0.00000581
 C  -3.66068405  -1.79714772   0.99344683
 C  -3.63843689   0.56331757   0.46068969
 C  -4.34728935  -0.60928784   0.73166029
 C  -2.24066564   0.55895703   0.44776032
 C  -2.26303137  -1.82355649   0.98557762
 C  -1.58203222  -0.64020931   0.70962251
 H  -4.21112787  -2.71646331   1.20841430
 H  -4.17118645   1.49561840   0.25761207
 H  -5.43977152  -0.59707739   0.74060913
 H  -1.67605617   1.46982545   0.24047820
 H  -1.71685879  -2.74562614   1.19246847
 H   0.42517083  -1.13893232  -1.38833944
Br   0.35811960  -0.65197810   0.69804077
Al   4.64839336   1.93312449   0.36876660
Br   5.11467245   1.16117168  -2.03145513
Br   3.01938155  -0.04479419  -2.57980438
Br   0.53089699  -1.40496962  -2.86649967
Br   4.21920412   0.00278660   1.53614246
Br   2.90740302   3.41192799   0.21433818
Br   6.77786268   2.81285669   0.51252104
 20
 Energy -18491.2084159 Gradient 0.00000246
 C  -3.65417663  -1.82990828   0.99210063
 C  -3.65605146   0.52902035   0.45199473
 C  -4.35290568  -0.65013583   0.72598656
 C  -2.25835375   0.53926860   0.44030814
 C  -2.25630889  -1.84167027   0.98551064
 C  -1.58742485  -0.65213200   0.70653147
 H  -4.19515189  -2.75427005   1.20944215
 H  -4.19841416   1.45501400   0.24560862
 H  -5.44544425  -0.64922691   0.73389636
 H  -1.70316373   1.45535611   0.23067852
 H  -1.70067252  -2.75735429   1.19564028
 H   0.42353987  -1.13028905  -1.39069274
Br   0.35277310  -0.64431070   0.69597656
Al   4.65158713   1.93467472   0.37105774
Br   5.11582449   1.16317210  -2.02975427
Br   3.01903284  -0.03917191  -2.58013135
Br   0.52862352  -1.39673824  -2.86869343
Br   4.21509713   0.00429238   1.53623285
Br   2.91590136   3.41963459   0.21794604
Br   6.78459908   2.80545266   0.51526805
