 18
 Energy -13343.56864298 Gradient 0.00001001
 C  -0.43397772   1.46311920  -0.65580428
 C   1.95678139   1.56502627  -0.28869529
 C   0.65338340   1.56608297   0.21637397
 C   2.17299519   1.45906770  -1.66582081
 C  -0.21810253   1.35817469  -2.03273615
 C   1.08540720   1.35526363  -2.53790128
Br  -1.73627039  -1.56028053   2.30837168
 H  -1.45283885   1.46052474  -0.25945945
 H   2.80711982   1.64762449   0.39376768
 H   0.48364308   1.64321725   1.29364829
 H   3.19258585   1.46031736  -2.06102422
 H  -1.06879920   1.27720663  -2.71475760
 H   1.25401732   1.27428738  -3.61524964
Br   0.75444801  -2.38175128  -0.63707916
Al  -0.04080261  -2.95866408   1.73609180
Br  -0.85825372  -2.87861876  -2.36859750
Br  -0.32383189  -5.20533646   1.88097020
Br   2.14232275  -2.14172983   2.03689359
 18
 Energy -13343.5686461 Gradient 0.00001381
 C  -0.45071520   1.45386690  -0.63872945
 C   1.94301551   1.57493782  -0.29781914
 C   0.64541298   1.56126286   0.22182770
 C   2.14463978   1.47932111  -1.67790973
 C  -0.24941953   1.35925294  -2.01858758
 C   1.04827159   1.37109962  -2.53833781
Br  -1.72824934  -1.55033248   2.30530602
 H  -1.46495214   1.43960764  -0.23094330
 H   2.80024957   1.66088683   0.37555400
 H   0.48709206   1.63029824   1.30138492
 H   3.15966070   1.49203953  -2.08450639
 H  -1.10699346   1.27483863  -2.69151637
 H   1.20548688   1.29813554  -3.61797561
Br   0.76359496  -2.38767401  -0.63684144
Al  -0.03935451  -2.95779810   1.73574504
Br  -0.84742143  -2.87979118  -2.37118336
Br  -0.33554168  -5.20276182   1.88081241
Br   2.14783329  -2.15288861   2.04010585
 18
 Energy -13343.56863589 Gradient 0.00001859
 C  -0.47140551   1.44174584  -0.62540296
 C   1.92390786   1.58974695  -0.30699574
 C   0.63180384   1.55572553   0.22521815
 C   2.11299001   1.50786566  -1.68975676
 C  -0.28266760   1.36087226  -2.00788736
 C   1.00955355   1.39307018  -2.54023113
Br  -1.71838511  -1.53981338   2.30364891
 H  -1.48124724   1.41140386  -0.20775080
 H   2.78662108   1.68089931   0.35866275
 H   0.48322841   1.61393625   1.30680339
 H   3.12367990   1.53642887  -2.10622491
 H  -1.14578874   1.27129080  -2.67301800
 H   1.15698289   1.33083370  -3.62193016
Br   0.77299500  -2.39573667  -0.63651744
Al  -0.03707382  -2.95713495   1.73594985
Br  -0.83608824  -2.88266874  -2.37408974
Br  -0.34724529  -5.20007048   1.88245816
Br   2.15404157  -2.16350503   2.04188695
 18
 Energy -13343.56862478 Gradient 0.00002334
 C  -0.49116393   1.43070032  -0.61499812
 C   1.90466738   1.60615334  -0.31492937
 C   0.61752582   1.55183791   0.22749530
 C   2.08334494   1.53743009  -1.69979165
 C  -0.31283222   1.36299418  -1.99954787
 C   0.97445843   1.41549209  -2.54212820
Br  -1.70734826  -1.52694216   2.30147664
 H  -1.49703826   1.38435909  -0.18933760
 H   2.77165684   1.70288808   0.34437549
 H   0.47708118   1.59969376   1.31067462
 H   3.09013948   1.58180729  -2.12424726
 H  -1.18024141   1.26784711  -2.65829993
 H   1.11372961   1.36349963  -3.62544610
Br   0.78254682  -2.40568352  -0.63625776
Al  -0.03538053  -2.95643414   1.73656687
Br  -0.82464765  -2.88451265  -2.37780944
Br  -0.36232471  -5.19670537   1.88667346
Br   2.16093635  -2.17734783   2.04290213
 18
 Energy -13343.56860064 Gradient 0.00002927
 C  -0.51024789   1.42222370  -0.60444453
 C   1.88552686   1.62405060  -0.32103410
 C   0.60321384   1.55138945   0.23054977
 C   2.05462383   1.56561139  -1.70757290
 C  -0.34149952   1.36479162  -1.99064211
 C   0.94099639   1.43562973  -2.54239033
Br  -1.69616740  -1.51363525   2.29915642
 H  -1.51226662   1.36145708  -0.17160006
 H   2.75623914   1.72709384   0.33238477
 H   0.47022013   1.59117155   1.31499681
 H   3.05762879   1.62427462  -2.13919931
 H  -1.21261973   1.26327303  -2.64352171
 H   1.07280251   1.39158299  -3.62699490
Br   0.79227533  -2.41505656  -0.63560439
Al  -0.03458219  -2.95613905   1.73686344
Br  -0.81182356  -2.88622854  -2.38221430
Br  -0.37897993  -5.19353140   1.88996625
Br   2.16721905  -2.19257632   2.04420133
 18
 Energy -13343.56858125 Gradient 0.00003557
 C  -0.52954203   1.41719090  -0.59262272
 C   1.86572471   1.64425333  -0.32446514
 C   0.58796140   1.55633358   0.23535547
 C   2.02626892   1.59104852  -1.71223451
 C  -0.36935580   1.36503123  -1.98001857
 C   0.90862503   1.45107229  -2.54002855
Br  -1.68494435  -1.50005463   2.29619140
 H  -1.52793165   1.34448792  -0.15331914
 H   2.73958673   1.75517402   0.32344429
 H   0.46167869   1.59201118   1.32074623
 H   3.02570451   1.66158691  -2.15031480
 H  -1.24365857   1.25581323  -2.62738023
 H   1.03373044   1.41111272  -3.62558300
Br   0.80226532  -2.42518239  -0.63535228
Al  -0.03375364  -2.95552137   1.73698049
Br  -0.79875640  -2.88856564  -2.38696837
Br  -0.39610722  -5.18982361   1.89232387
Br   2.17334128  -2.20770732   2.04572358
 18
 Energy -13343.568559 Gradient 0.00004476
 C  -0.54908053   1.41974797  -0.57890110
 C   1.84552256   1.66867533  -0.32475511
 C   0.57173152   1.57123807   0.24242523
 C   1.99880180   1.61251602  -1.71323089
 C  -0.39616499   1.36464158  -1.96699017
 C   0.87788078   1.46011913  -2.53434136
Br  -1.67358041  -1.48666446   2.29188776
 H  -1.54433040   1.33964592  -0.13384994
 H   2.72196539   1.78934070   0.31790949
 H   0.45109259   1.60921794   1.32837529
 H   2.99513797   1.69043873  -2.15708442
 H  -1.27302632   1.24559990  -2.60913834
 H   0.99734048   1.41774094  -3.62044063
Br   0.81157866  -2.43570705  -0.63590115
Al  -0.03257657  -2.95497868   1.73661068
Br  -0.78662816  -2.89217862  -2.39207911
Br  -0.41249058  -5.18607927   1.89610784
Br   2.17975503  -2.22275582   2.04572993
 18
 Energy -13343.56852696 Gradient 0.00005538
 C  -0.56852618   1.43227626  -0.56346826
 C   1.82561806   1.69785009  -0.32219478
 C   0.55492176   1.59815060   0.25146010
 C   1.97321398   1.62947453  -1.71073559
 C  -0.42130474   1.36497518  -1.95160663
 C   0.84967771   1.46260216  -2.52544310
Br  -1.66282220  -1.47411691   2.28648608
 H  -1.56135399   1.35056889  -0.11336859
 H   2.70411126   1.82989516   0.31540781
 H   0.43881275   1.64578165   1.33750113
 H   2.96713200   1.70912457  -2.15968804
 H  -1.30026178   1.23482151  -2.58870754
 H   0.96465911   1.41068587  -3.61161455
Br   0.82001389  -2.44663449  -0.63694054
Al  -0.03166998  -2.95490214   1.73593754
Br  -0.77539161  -2.89698431  -2.39756390
Br  -0.42701238  -5.18286123   1.90091960
Br   2.18580315  -2.23738996   2.04420623
 18
 Energy -13343.56849056 Gradient 0.00006392
 C  -0.58719965   1.45335599  -0.54782655
 C   1.80675864   1.72991587  -0.31758636
 C   0.53810741   1.63462925   0.26124135
 C   1.95043960   1.64165346  -1.70541587
 C  -0.44388998   1.36613280  -1.93526142
 C   0.82507197   1.45931931  -2.51421585
Br  -1.65277081  -1.46275198   2.28004544
 H  -1.57847271   1.37532947  -0.09372597
 H   2.68670923   1.87409529   0.31535990
 H   0.42501629   1.69794078   1.34679780
 H   2.94277366   1.71789410  -2.15843748
 H  -1.32426159   1.22370382  -2.56778119
 H   0.93704119   1.39174693  -3.59983681
Br   0.82775748  -2.45789483  -0.63844083
Al  -0.03072329  -2.95505218   1.73493187
Br  -0.76561398  -2.90257631  -2.40268872
Br  -0.43993506  -5.18004256   1.90597714
Br   2.19131930  -2.25110147   2.04218780
 18
 Energy -13343.56844484 Gradient 0.00007137
 C  -0.60535640   1.48066240  -0.53259127
 C   1.78877281   1.76340575  -0.31187542
 C   0.52129649   1.67748558   0.27094575
 C   1.92996520   1.65021658  -1.69814752
 C  -0.46454854   1.36850521  -1.91845935
 C   0.80325130   1.45227916  -2.50141971
Br  -1.64316961  -1.45229606   2.27298667
 H  -1.59576918   1.41023186  -0.07539151
 H   2.66976832   1.91985774   0.31667508
 H   0.41027491   1.76060326   1.35534397
 H   2.92138682   1.71915299  -2.15435086
 H  -1.34602416   1.21413138  -2.54659501
 H   0.91322525   1.36532230  -3.58586957
Br   0.83468498  -2.46942478  -0.64013559
Al  -0.02960826  -2.95557470   1.73399779
Br  -0.75718618  -2.90867723  -2.40745578
Br  -0.45159159  -5.17765862   1.91100087
Br   2.19674342  -2.26387197   2.03987648
 18
 Energy -13343.56839402 Gradient 0.00007679
 C  -0.62301911   1.51198430  -0.51778691
 C   1.77152419   1.79749526  -0.30555251
 C   0.50469164   1.72421282   0.28031878
 C   1.91099313   1.65631559  -1.68943350
 C  -0.48390452   1.37169021  -1.90127877
 C   0.78325172   1.44292762  -2.48724038
Br  -1.63413130  -1.44257485   2.26547616
 H  -1.61300589   1.45165599  -0.05829629
 H   2.65336179   1.96598108   0.31868033
 H   0.39496008   1.82938471   1.36293499
 H   2.90193299   1.71549768  -2.14804849
 H  -1.36614207   1.20494815  -2.52519687
 H   0.89190358   1.33393010  -3.56983819
Br   0.84138535  -2.48117189  -0.64198545
Al  -0.02858096  -2.95624987   1.73291404
Br  -0.74951577  -2.91493478  -2.41185130
Br  -0.46214025  -5.17564518   1.91604259
Br   2.20163697  -2.27584373   2.03733060
 18
 Energy -13343.5683374 Gradient 0.00008061
 C  -0.64033312   1.54569972  -0.50344162
 C   1.75484654   1.83141364  -0.29885103
 C   0.48826815   1.77303214   0.28921326
 C   1.89317956   1.66032344  -1.67945259
 C  -0.50236833   1.37544614  -1.88364755
 C   0.76452731   1.43183765  -2.47182249
Br  -1.62533563  -1.43343714   2.25770431
 H  -1.63019807   1.49732008  -0.04225527
 H   2.63737524   2.01179935   0.32105483
 H   0.37955568   1.90212405   1.36930225
 H   2.88391432   1.70794973  -2.13985885
 H  -1.38535953   1.19712993  -2.50325856
 H   0.87223009   1.29963200  -3.55191863
Br   0.84781352  -2.49285249  -0.64396664
Al  -0.02760042  -2.95707160   1.73140103
Br  -0.74248689  -2.92120549  -2.41616261
Br  -0.47199739  -5.17372926   1.92129568
Br   2.20628260  -2.28732971   2.03463337
 18
 Energy -13343.56827796 Gradient 0.00008201
 C  -0.65749974   1.58081514  -0.48986366
 C   1.73839194   1.86492711  -0.29175335
 C   0.47175422   1.82277333   0.29749607
 C   1.87609212   1.66313139  -1.66826751
 C  -0.52014077   1.37966346  -1.86598710
 C   0.74680524   1.42002118  -2.45530370
Br  -1.61670986  -1.42449057   2.24982572
 H  -1.64748050   1.54527345  -0.02782141
 H   2.62145807   2.05663594   0.32395744
 H   0.36346312   1.97612928   1.37445935
 H   2.86689781   1.69822302  -2.12965117
 H  -1.40356623   1.18953796  -2.48146876
 H   0.85405535   1.26362241  -3.53222323
Br   0.85379777  -2.50462203  -0.64619331
Al  -0.02634743  -2.95771107   1.73019146
Br  -0.73598693  -2.92756655  -2.42039559
Br  -0.48135746  -5.17164088   1.92665759
Br   2.21103450  -2.29873480   2.03177464
 18
 Energy -13343.56821566 Gradient 0.00008282
 C  -0.67477885   1.61702635  -0.47709903
 C   1.72189790   1.89801193  -0.28418958
 C   0.45486360   1.87316385   0.30517801
 C   1.85960157   1.66490753  -1.65572772
 C  -0.53743913   1.38455510  -1.84823777
 C   0.72987919   1.40771799  -2.43770686
Br  -1.60829446  -1.41559895   2.24137501
 H  -1.66514167   1.59521359  -0.01497948
 H   2.60526967   2.10078972   0.32751029
 H   0.34673112   2.05157154   1.37826438
 H   2.85071964   1.68651889  -2.11728488
 H  -1.42123660   1.18362382  -2.45970013
 H   0.83705227   1.22703019  -3.51081870
Br   0.85974268  -2.51654225  -0.64832765
Al  -0.02506620  -2.95830955   1.72891771
Br  -0.72979058  -2.93410020  -2.42435270
Br  -0.49026279  -5.16952499   1.93197425
Br   2.21565577  -2.30989878   2.02892794
 18
 Energy -13343.56815336 Gradient 0.00008242
 C  -0.69216422   1.65410340  -0.46498876
 C   1.70537771   1.93015595  -0.27598224
 C   0.43771763   1.92347781   0.31245014
 C   1.84341960   1.66590378  -1.64182611
 C  -0.55445145   1.39020138  -1.83042268
 C   0.71347842   1.39548567  -2.41895158
Br  -1.59971936  -1.40673727   2.23262373
 H  -1.68308192   1.64661580  -0.00364145
 H   2.58896770   2.14312444   0.33190180
 H   0.32923737   2.12653776   1.38110936
 H   2.83504335   1.67354470  -2.10273555
 H  -1.43834996   1.17847908  -2.43811532
 H   0.82094454   1.19017436  -3.48760319
Br   0.86557131  -2.52858700  -0.65051537
Al  -0.02386289  -2.95896240   1.72769612
Br  -0.72378929  -2.94078383  -2.42820552
Br  -0.49910600  -5.16745451   1.93713974
Br   2.22027171  -2.32065783   2.02610706
 18
 Energy -13343.56808924 Gradient 0.00007982
 C  -0.70962886   1.69159592  -0.45353073
 C   1.68885322   1.96113506  -0.26719681
 C   0.42035913   1.97326349   0.31935345
 C   1.82760193   1.66593889  -1.62658869
 C  -0.57123684   1.39678140  -1.81250814
 C   0.69749324   1.38334312  -2.39918971
Br  -1.59094682  -1.39778306   2.22371117
 H  -1.70125907   1.69896923   0.00633198
 H   2.57253220   2.18364566   0.33711786
 H   0.31147514   2.20093153   1.38298855
 H   2.81987930   1.65888565  -2.08610139
 H  -1.45529222   1.17574038  -2.41660262
 H   0.80543212   1.15399490  -3.46288479
Br   0.87146268  -2.54084265  -0.65287616
Al  -0.02259621  -2.95953721   1.72612582
Br  -0.71808350  -2.94762686  -2.43196520
Br  -0.50780237  -5.16514746   1.94227419
Br   2.22463816  -2.33121702   2.02334803
 18
 Energy -13343.56802945 Gradient 0.00007806
 C  -0.72733472   1.73006107  -0.44261425
 C   1.67223289   1.99077687  -0.25763614
 C   0.40276389   2.02269940   0.32599660
 C   1.81179065   1.66506510  -1.60996476
 C  -0.58809369   1.40447289  -1.79450097
 C   0.68159022   1.37152614  -2.37828809
Br  -1.58232922  -1.38897009   2.21466915
 H  -1.71977953   1.75301528   0.01495359
 H   2.55602910   2.22167426   0.34332669
 H   0.29314086   2.27443994   1.38411952
 H   2.80484691   1.64271457  -2.06730310
 H  -1.47213167   1.17442432  -2.39527222
 H   0.79018381   1.11804535  -3.43644433
Br   0.87721814  -2.55316991  -0.65535418
Al  -0.02128039  -2.95990818   1.72440294
Br  -0.71262026  -2.95473682  -2.43558776
Br  -0.51593208  -5.16275634   1.94727050
Br   2.22904537  -2.34140214   2.02046154
 18
 Energy -13343.56797009 Gradient 0.00007501
 C  -0.74522757   1.76897518  -0.43209364
 C   1.65552386   2.01877156  -0.24732482
 C   0.38501220   2.07115928   0.33257919
 C   1.79598240   1.66315150  -1.59196618
 C  -0.60509481   1.41349632  -1.77630197
 C   0.66559621   1.36012937  -2.35638733
Br  -1.57353878  -1.38009413   2.20531601
 H  -1.73855814   1.80809217   0.02253823
 H   2.53942310   2.25708607   0.35056661
 H   0.27484916   2.34658142   1.38472320
 H   2.78985779   1.62483275  -2.04646684
 H  -1.48928213   1.17622872  -2.37398740
 H   0.77482301   1.08333624  -3.40860777
Br   0.88271685  -2.56564553  -0.65784356
Al  -0.01968905  -2.96023514   1.72309772
Br  -0.70730000  -2.96209661  -2.43930813
Br  -0.52388522  -5.16026177   1.95225259
Br   2.23351863  -2.35114444   2.01739542
 18
 Energy -13343.56791279 Gradient 0.00007335
 C  -0.76311885   1.80822315  -0.42211483
 C   1.63887932   2.04430799  -0.23607460
 C   0.36733301   2.11804823   0.33914150
 C   1.78007688   1.66003732  -1.57274370
 C  -0.62223770   1.42383381  -1.75828962
 C   0.64946666   1.34946999  -2.33374836
Br  -1.56494880  -1.37033549   2.19597569
 H  -1.75731050   1.86405669   0.02884243
 H   2.52300960   2.28836828   0.35913049
 H   0.25646620   2.41611438   1.38502873
 H   2.77480076   1.60521172  -2.02368000
 H  -1.50655547   1.18021975  -2.35326168
 H   0.75928336   1.05006539  -3.37971249
Br   0.88836250  -2.57886475  -0.66071223
Al  -0.01867617  -2.95982613   1.72122439
Br  -0.70222279  -2.96957864  -2.44311388
Br  -0.53082219  -5.15730627   1.95714274
Br   2.23750912  -2.36113299   2.01471206
 18
 Energy -13343.56784259 Gradient 0.00006766
 C  -0.78110265   1.84796572  -0.41292006
 C   1.62224887   2.06700761  -0.22375268
 C   0.34962393   2.16277506   0.34581834
 C   1.76424631   1.65579503  -1.55225536
 C  -0.63945383   1.43666779  -1.74096090
 C   0.63330189   1.34031142  -2.31080868
Br  -1.55565798  -1.36072579   2.18687430
 H  -1.77619933   1.92120309   0.03358863
 H   2.50659850   2.31495276   0.36949033
 H   0.23825004   2.48232620   1.38529102
 H   2.75983187   1.58378008  -1.99886037
 H  -1.52405598   1.18949562  -2.33397912
 H   0.74368750   1.01995326  -3.35047739
Br   0.89357553  -2.59188867  -0.66402103
Al  -0.01698604  -2.95909990   1.71970372
Br  -0.69786160  -2.97758185  -2.44691536
Br  -0.53852231  -5.15366410   1.96338923
Br   2.24250282  -2.37119068   2.01053896
 18
 Energy -13343.56780559 Gradient 0.00006398
 C  -0.79914700   1.88779771  -0.40420839
 C   1.60551581   2.08733984  -0.21023352
 C   0.33188971   2.20564187   0.35280207
 C   1.74813105   1.65087136  -1.53059075
 C  -0.65684260   1.45094246  -1.72400463
 C   0.61688487   1.33238213  -2.28738205
Br  -1.54578686  -1.35150939   2.17727896
 H  -1.79507882   1.97867259   0.03717521
 H   2.49015765   2.33744697   0.38165395
 H   0.21994287   2.54502172   1.38590800
 H   2.74453408   1.56141238  -1.97217782
 H  -1.54162930   1.20096021  -2.31560484
 H   0.72776504   0.99204787  -3.32063663
Br   0.89863839  -2.60441113  -0.66690189
Al  -0.01471378  -2.95920403   1.71744833
Br  -0.69321733  -2.98594922  -2.45068558
Br  -0.54719062  -5.15000877   1.97009732
Br   2.24769949  -2.38034585   2.00580595
 18
 Energy -13343.56775543 Gradient 0.00006099
 C  -0.81762109   1.92794634  -0.39540560
 C   1.58823450   2.10589449  -0.19538873
 C   0.31376514   2.24730721   0.36040592
 C   1.73132551   1.64487803  -1.50729639
 C  -0.67484876   1.46650913  -1.70674839
 C   0.59968164   1.32490221  -2.26292843
Br  -1.53652085  -1.34186251   2.16680507
 H  -1.81426446   2.03701351   0.04028081
 H   2.47315385   2.35714901   0.39557216
 H   0.20154576   2.60621215   1.38686959
 H   2.72841664   1.53738225  -1.94329395
 H  -1.55996970   1.21555330  -2.29739107
 H   0.71089994   0.96544774  -3.28964809
Br   0.90428778  -2.61732193  -0.66995449
Al  -0.01304365  -2.95876342   1.71558617
Br  -0.68787929  -2.99447809  -2.45460269
Br  -0.55492628  -5.14633072   1.97566295
Br   2.25206501  -2.38927955   2.00245747
 18
 Energy -13343.56770814 Gradient 0.00005824
 C  -0.83611120   1.96783822  -0.38680092
 C   1.57071110   2.12230155  -0.17933603
 C   0.29563505   2.28704307   0.36852686
 C   1.71399748   1.63833196  -1.48292294
 C  -0.69314582   1.48322208  -1.68975244
 C   0.58199590   1.31852669  -2.23805181
Br  -1.52763385  -1.33211652   2.15623861
 H  -1.83329650   2.09527273   0.04264631
 H   2.45596221   2.37329523   0.41122414
 H   0.18319082   2.66399526   1.38847815
 H   2.71161907   1.51278427  -1.91282637
 H  -1.57853344   1.23212687  -2.27996076
 H   0.69339227   0.94093989  -3.25822528
Br   0.91011741  -2.63060522  -0.67311561
Al  -0.01133651  -2.95765992   1.71312873
Br  -0.68257632  -3.00314000  -2.45839279
Br  -0.56241923  -5.14195111   1.98140844
Br   2.25666580  -2.39828897   1.99874891
 18
 Energy -13343.56766509 Gradient 0.00005629
 C  -0.85436798   2.00734640  -0.37859009
 C   1.55317165   2.13625728  -0.16229012
 C   0.27771123   2.32457411   0.37704006
 C   1.69649762   1.63077696  -1.45765678
 C  -0.71136797   1.50118380  -1.67330982
 C   0.56412350   1.31297951  -2.21313096
Br  -1.51834758  -1.32241467   2.14576235
 H  -1.85190150   2.15328339   0.04416954
 H   2.43867808   2.38568488   0.42852306
 H   0.16532094   2.71868253   1.39049919
 H   2.69445128   1.48683928  -1.88096230
 H  -1.59706784   1.25184888  -2.26375053
 H   0.67552247   0.91865978  -3.22694690
Br   0.91555944  -2.64337095  -0.67622713
Al  -0.00951394  -2.95656234   1.71050513
Br  -0.67757701  -3.01184997  -2.46229488
Br  -0.56967569  -5.13753623   1.98716748
Br   2.26125997  -2.40711394   1.99483078
 18
 Energy -13343.56762156 Gradient 0.00005272
 C  -0.87223167   2.04647805  -0.37073254
 C   1.53567660   2.14820707  -0.14431384
 C   0.26012559   2.36030877   0.38588009
 C   1.67878154   1.62250588  -1.43162839
 C  -0.72945566   1.51991861  -1.65733875
 C   0.54613491   1.30810561  -2.18807193
Br  -1.50878546  -1.31256622   2.13502161
 H  -1.86988319   2.21109199   0.04486652
 H   2.42144920   2.39484446   0.44727320
 H   0.14784947   2.77027091   1.39305688
 H   2.67687761   1.46013189  -1.84789462
 H  -1.61536915   1.27303379  -2.24853601
 H   0.65736993   0.89781739  -3.19555485
Br   0.92058766  -2.65548569  -0.67962868
Al  -0.00756800  -2.95575200   1.70864509
Br  -0.67255743  -3.02081671  -2.46627576
Br  -0.57679851  -5.13339955   1.99281640
Br   2.26570024  -2.41552286   1.99117345
 18
 Energy -13343.56757816 Gradient 0.00005004
 C  -0.88989877   2.08581562  -0.36327993
 C   1.51790738   2.15847540  -0.12514614
 C   0.24255425   2.39491306   0.39511144
 C   1.66072121   1.61321868  -1.40430183
 C  -0.74742584   1.53968145  -1.64171460
 C   0.52795017   1.30355872  -2.16255586
Br  -1.49977482  -1.30290099   2.12397193
 H  -1.88744642   2.26952743   0.04453283
 H   2.40374112   2.40141117   0.46783791
 H   0.13058294   2.82045327   1.39584852
 H   2.65871261   1.43184834  -1.81285564
 H  -1.63345989   1.29670400  -2.23429439
 H   0.63893735   0.87802275  -3.16371139
Br   0.92603803  -2.66787265  -0.68291243
Al  -0.00570838  -2.95450032   1.70592644
Br  -0.66740909  -3.03010948  -2.47012219
Br  -0.58361820  -5.12880583   1.99827669
Br   2.26994791  -2.42339542   1.98763025
 18
 Energy -13343.56754298 Gradient 0.00004710
 C  -0.90715924   2.12527077  -0.35643874
 C   1.50002213   2.16716792  -0.10489918
 C   0.22514748   2.42855177   0.40449871
 C   1.64247199   1.60291212  -1.37582843
 C  -0.76505430   1.55999372  -1.62659014
 C   0.50984527   1.29904896  -2.13660873
Br  -1.49077658  -1.29343008   2.11314660
 H  -1.90436959   2.32857672   0.04285817
 H   2.38578637   2.40543468   0.49008873
 H   0.11342032   2.86895038   1.39881775
 H   2.64017047   1.40220463  -1.77601176
 H  -1.65098869   1.32143372  -2.22115260
 H   0.62054702   0.85852332  -3.13129282
Br   0.93127791  -2.68019328  -0.68626979
Al  -0.00379151  -2.95302028   1.70340608
Br  -0.66244029  -3.03951683  -2.47388879
Br  -0.59020959  -5.12397929   2.00344820
Br   2.27423632  -2.43085572   1.98379565
 18
 Energy -13343.56750586 Gradient 0.00004441
 C  -0.92391784   2.16420490  -0.35007790
 C   1.48199631   2.17478251  -0.08373114
 C   0.20790201   2.46103863   0.41410317
 C   1.62415858   1.59209903  -1.34632184
 C  -0.78211170   1.58050112  -1.61188785
 C   0.49199668   1.29465791  -2.11036298
Br  -1.48157278  -1.28386000   2.10229019
 H  -1.92056143   2.38707266   0.04013478
 H   2.36736746   2.40802282   0.51378999
 H   0.09646615   2.91609885   1.40185087
 H   2.62130611   1.37194570  -1.73749974
 H  -1.66770135   1.34718455  -2.20899294
 H   0.60245846   0.83971862  -3.09856269
Br   0.93630104  -2.69228703  -0.68966494
Al  -0.00176918  -2.95155474   1.70082482
Br  -0.65770758  -3.04911476  -2.47771717
Br  -0.59684328  -5.11901560   2.00871721
Br   2.27856663  -2.43810759   1.97975798
 18
 Energy -13343.5674739 Gradient 0.00004054
 C  -0.94003657   2.20190889  -0.34413393
 C   1.46397605   2.18146898  -0.06167071
 C   0.19086019   2.49197605   0.42398697
 C   1.60606071   1.58137682  -1.31608582
 C  -0.79831710   1.60068197  -1.59771350
 C   0.47481783   1.29065635  -2.08403423
Br  -1.47274326  -1.27412115   2.09095635
 H  -1.93594236   2.44390848   0.03648738
 H   2.34866214   2.40933761   0.53893950
 H   0.07944976   2.96063729   1.40535785
 H   2.60253838   1.34239887  -1.69784670
 H  -1.68320902   1.37255832  -2.19789636
 H   0.58519997   0.82196056  -3.06578926
Br   0.94116039  -2.70440355  -0.69315966
Al   0.00017360  -2.94967365   1.69803768
Br  -0.65319347  -3.05891805  -2.48131333
Br  -0.60298326  -5.11376670   2.01411072
Br   2.28276094  -2.44513391   1.97583871
 18
 Energy -13343.56744294 Gradient 0.00003759
 C  -0.95582941   2.23889679  -0.33827426
 C   1.44558424   2.18775333  -0.03826339
 C   0.17365297   2.52212180   0.43445329
 C   1.58791107   1.57063415  -1.28433404
 C  -0.81388339   1.62059061  -1.58348528
 C   0.45806471   1.28667549  -2.05687940
Br  -1.46372269  -1.26433516   2.07962854
 H  -1.95083779   2.49966066   0.03218537
 H   2.32915872   2.41026232   0.56594962
 H   0.06211398   3.00430182   1.40926169
 H   2.58353217   1.31301200  -1.65602553
 H  -1.69769162   1.39794972  -2.18727056
 H   0.56861543   0.80463373  -3.03212867
Br   0.94593977  -2.71659612  -0.69683320
Al   0.00213085  -2.94761442   1.69503554
Br  -0.64911058  -3.06917887  -2.48507175
Br  -0.60891783  -5.10817257   2.01966022
Br   2.28693242  -2.45172590   1.97147371
 18
 Energy -13343.56741151 Gradient 0.00003458
 C  -0.97091543   2.27474638  -0.33201165
 C   1.42731599   2.19309539  -0.01377985
 C   0.15690006   2.55089495   0.44568438
 C   1.56976433   1.55969461  -1.25162229
 C  -0.82885238   1.64013173  -1.56899314
 C   0.44158586   1.28285063  -2.02915536
Br  -1.45470706  -1.25454860   2.06800929
 H  -1.96475310   2.55396038   0.02805757
 H   2.30960467   2.41001579   0.59434415
 H   0.04522523   3.04590597   1.41402213
 H   2.56426684   1.28378596  -1.61304496
 H  -1.71139140   1.42299345  -2.17666415
 H   0.55228861   0.78800226  -2.99795303
Br   0.95026724  -2.72861236  -0.70060617
Al   0.00437200  -2.94547564   1.69241532
Br  -0.64530094  -3.07969986  -2.48857856
Br  -0.61485447  -5.10250115   2.02524789
Br   2.29138304  -2.45769863   1.96641334
 18
 Energy -13343.56739136 Gradient 0.00003155
 C  -0.98556132   2.30946585  -0.32537101
 C   1.40876900   2.19813205   0.01250779
 C   0.13997469   2.57845114   0.45811815
 C   1.55190886   1.54934884  -1.21724923
 C  -0.84282753   1.65939283  -1.55421184
 C   0.42599353   1.27954650  -2.00052666
Br  -1.44569846  -1.24449556   2.05584662
 H  -1.97815979   2.60645537   0.02374727
 H   2.28927889   2.40943543   0.62514271
 H   0.02782627   3.08557316   1.42013953
 H   2.54525027   1.25587734  -1.56784004
 H  -1.72358635   1.44794786  -2.16643107
 H   0.53715872   0.77260177  -2.96299325
Br   0.95451791  -2.74108342  -0.70476135
Al   0.00649265  -2.94300919   1.68917817
Br  -0.64157444  -3.09044703  -2.49241488
Br  -0.62059850  -5.09635175   2.03115152
Br   2.29549295  -2.46354977   1.96147492
 18
 Energy -13343.56736403 Gradient 0.00003072
 C  -0.99994458   2.34264961  -0.31894349
 C   1.38980483   2.20365390   0.04049509
 C   0.12244211   2.60538209   0.47115903
 C   1.53466553   1.53979212  -1.18097679
 C  -0.85549274   1.67746468  -1.53948233
 C   0.41191028   1.27628432  -1.97087470
Br  -1.43671580  -1.23459189   2.04277892
 H  -1.99143947   2.65650892   0.01842122
 H   2.26786215   2.40997877   0.65832911
 H   0.00892814   3.12433997   1.42669467
 H   2.52697303   1.22963517  -1.51992838
 H  -1.73379922   1.47090074  -2.15689864
 H   0.52439974   0.75751797  -2.92687036
Br   0.95881926  -2.75316746  -0.70893072
Al   0.00869699  -2.94064172   1.68580420
Br  -0.63824129  -3.10142662  -2.49642127
Br  -0.62655379  -5.08996515   2.03780881
Br   2.29971446  -2.46927159   1.95610040
 18
 Energy -13343.56735957 Gradient 0.00002663
 C  -1.01359632   2.37339923  -0.31265070
 C   1.37103411   2.20875208   0.06916803
 C   0.10502881   2.63016464   0.48470599
 C   1.51831330   1.53113936  -1.14441622
 C  -0.86674524   1.69445232  -1.52529179
 C   0.39930394   1.27354428  -1.94155809
Br  -1.42733192  -1.22321505   2.02956669
 H  -2.00404165   2.70273094   0.01284180
 H   2.24614736   2.41038417   0.69268947
 H  -0.01032573   3.15997920   1.43405998
 H   2.50963311   1.20557663  -1.47156361
 H  -1.74212483   1.49263199  -2.14839201
 H   0.51365680   0.74400161  -2.89140024
Br   0.96301184  -2.76568952  -0.71284981
Al   0.01039217  -2.93771779   1.68259128
Br  -0.63435694  -3.11317758  -2.50048513
Br  -0.63372797  -5.08287830   2.04417739
Br   2.30368947  -2.47538011   1.95083319
 18
 Energy -13343.56731941 Gradient 0.00002500
 C  -1.02662709   2.40310549  -0.30594321
 C   1.35222535   2.21360994   0.09966746
 C   0.08757876   2.65390023   0.49946627
 C   1.50258025   1.52316336  -1.10627270
 C  -0.87670443   1.71130521  -1.51093157
 C   0.38800831   1.27158564  -1.91148210
Br  -1.41798713  -1.21192129   2.01685583
 H  -2.01601691   2.74730098   0.00718429
 H   2.22388558   2.41046426   0.72952023
 H  -0.03019276   3.19380175   1.44283314
 H   2.49292703   1.18285072  -1.42112348
 H  -1.74862850   1.51414226  -2.14035905
 H   0.50476727   0.73200052  -2.85536428
Br   0.96698430  -2.77885735  -0.71732770
Al   0.01194681  -2.93418394   1.67869647
Br  -0.63072089  -3.12572780  -2.50476531
Br  -0.64066243  -5.07502033   2.05003525
Br   2.30735968  -2.48077254   1.94560040
 18
 Energy -13343.5672994 Gradient 0.00002355
 C  -1.03905588   2.43273399  -0.29869808
 C   1.33326191   2.21884282   0.13227166
 C   0.07005866   2.67758727   0.51552295
 C   1.48728540   1.51587954  -1.06592739
 C  -0.88548439   1.72839195  -1.49593297
 C   0.37779680   1.27020506  -1.87993750
Br  -1.40955886  -1.20162423   2.00333529
 H  -2.02733064   2.79141725   0.00145081
 H   2.20093499   2.41102152   0.76903953
 H  -0.05053465   3.22737396   1.45281946
 H   2.47658175   1.16112820  -1.36784277
 H  -1.75343744   1.53594039  -2.13226549
 H   0.49740155   0.72081911  -2.81779397
Br   0.97024251  -2.79129817  -0.72214159
Al   0.01400674  -2.93078584   1.67495162
Br  -0.62838700  -3.13901692  -2.50869294
Br  -0.64555884  -5.06768812   2.05638984
Br   2.31124388  -2.48487432   1.93925286
 18
 Energy -13343.56728085 Gradient 0.00002139
 C  -1.05034141   2.46165558  -0.29131127
 C   1.31476441   2.22429019   0.16614208
 C   0.05302967   2.70058201   0.53242122
 C   1.47309250   1.50976497  -1.02462642
 C  -0.89247189   1.74577343  -1.48112731
 C   0.36936921   1.27009141  -1.84817596
Br  -1.40161329  -1.19180356   1.98942575
 H  -2.03747110   2.83413857  -0.00447790
 H   2.17793938   2.41171702   0.81038875
 H  -0.07092866   3.25947622   1.46388506
 H   2.46132904   1.14129504  -1.31326530
 H  -1.75592931   1.55797040  -2.12493316
 H   0.49234392   0.71171361  -2.78026942
Br   0.97320536  -2.80383053  -0.72716977
Al   0.01600919  -2.92737947   1.67087843
Br  -0.62648526  -3.15305899  -2.51253618
Br  -0.65021218  -5.06021285   2.06338321
Br   2.31499731  -2.48805499   1.93236580
 18
 Energy -13343.56726239 Gradient 0.00002122
 C  -1.06059181   2.49128606  -0.28421279
 C   1.29642329   2.23093440   0.20167197
 C   0.03614827   2.72422067   0.55003668
 C   1.45994068   1.50538041  -0.98168321
 C  -0.89753959   1.76439340  -1.46663112
 C   0.36285306   1.27168664  -1.81574918
Br  -1.39506263  -1.18333283   1.97540639
 H  -2.04658475   2.87711694  -0.01143084
 H   2.15440921   2.41363844   0.85416350
 H  -0.09183983   3.29180015   1.47569685
 H   2.44711007   1.12357980  -1.25628314
 H  -1.75580594   1.58135622  -2.11870171
 H   0.48988271   0.70471165  -2.74209675
Br   0.97564615  -2.81572489  -0.73226780
Al   0.01788180  -2.92425861   1.66674820
Br  -0.62470678  -3.16821461  -2.51651029
Br  -0.65330274  -5.05345457   2.07027038
Br   2.31824878  -2.48978760   1.92524127
 18
 Energy -13343.56724486 Gradient 0.00002076
 C  -1.06949545   2.52157999  -0.27756804
 C   1.27875671   2.23954021   0.23770402
 C   0.01995813   2.74893739   0.56770409
 C   1.44811811   1.50347896  -0.93831038
 C  -0.90060314   1.78422963  -1.45267369
 C   0.35834159   1.27543243  -1.78342083
Br  -1.38923176  -1.17517838   1.96107681
 H  -2.05433234   2.92009432  -0.01920657
 H   2.13103126   2.41776915   0.89886276
 H  -0.11259314   3.32478365   1.48760956
 H   2.43421173   1.10903863  -1.19850235
 H  -1.75315789   1.60558518  -2.11340427
 H   0.48995141   0.70030456  -2.70408981
Br   0.97801067  -2.82810104  -0.73718624
Al   0.01917536  -2.92132017   1.66251377
Br  -0.62321979  -3.18393936  -2.52004414
Br  -0.65573443  -5.04728838   2.07658658
Br   2.32080062  -2.49107248   1.91843146
 18
 Energy -13343.56723353 Gradient 0.00002063
 C  -1.07620203   2.55390703  -0.27260996
 C   1.26289485   2.25171711   0.27212517
 C   0.00585724   2.77708414   0.58320543
 C   1.43787914   1.50365165  -0.89543338
 C  -0.90168824   1.80460924  -1.43930063
 C   0.35548192   1.27969096  -1.75105081
Br  -1.38306075  -1.16769252   1.94751889
 H  -2.05962652   2.96508757  -0.02910067
 H   2.10938096   2.42675927   0.94152748
 H  -0.13105337   3.36237962   1.49649916
 H   2.42264519   1.09658018  -1.14073377
 H  -1.74845293   1.62928956  -2.10831968
 H   0.49148214   0.69519755  -2.66515802
Br   0.97968433  -2.84055659  -0.74213172
Al   0.02070031  -2.91892677   1.65827484
Br  -0.62300608  -3.19947386  -2.52320752
Br  -0.65873791  -5.04138795   2.08297468
Br   2.32360487  -2.49335452   1.91150741
 18
 Energy -13343.56721425 Gradient 0.00002104
 C  -1.08110201   2.58900367  -0.26938479
 C   1.24820614   2.26770962   0.30546932
 C  -0.00671162   2.80920953   0.59683185
 C   1.42880213   1.50665664  -0.85280942
 C  -0.90095511   1.82681722  -1.42684441
 C   0.35414569   1.28588056  -1.71890646
Br  -1.37751581  -1.16136153   1.93458380
 H  -2.06290064   3.01274016  -0.04132759
 H   2.08866661   2.44018268   0.98308152
 H  -0.14801991   3.40469774   1.50284427
 H   2.41196785   1.08686627  -1.08258292
 H  -1.74169253   1.65389708  -2.10404701
 H   0.49454543   0.69131362  -2.62582942
Br   0.98060162  -2.85247483  -0.74705128
Al   0.02213192  -2.91723794   1.65454205
Br  -0.62325574  -3.21578067  -2.52615447
Br  -0.66118798  -5.03636891   2.08954616
Br   2.32624807  -2.49594587   1.90436309
 18
 Energy -13343.56719721 Gradient 0.00002212
 C  -1.08443563   2.62644545  -0.26823244
 C   1.23456455   2.28702454   0.33713292
 C  -0.01796215   2.84431544   0.60830981
 C   1.42070404   1.51244201  -0.81123821
 C  -0.89872485   1.85082217  -1.41584461
 C   0.35398942   1.29403837  -1.68768382
Br  -1.37310170  -1.15662780   1.92193447
 H  -2.06435640   3.06256041  -0.05599059
 H   2.06882541   2.45762326   1.02284686
 H  -0.16356883   3.45042139   1.50657807
 H   2.40202026   1.08011559  -1.02508065
 H  -1.73324897   1.67982065  -2.10117913
 H   0.49874024   0.68894970  -2.58693549
Br   0.98146652  -2.86449341  -0.75159092
Al   0.02340509  -2.91625632   1.65091000
Br  -0.62355257  -3.23250745  -2.52874525
Br  -0.66309819  -5.03222729   2.09597023
Br   2.32838494  -2.49780750   1.89784817
 18
 Energy -13343.56717983 Gradient 0.00002412
 C  -1.08523999   2.66828943  -0.26975409
 C   1.22312858   2.31053282   0.36495468
 C  -0.02574964   2.88542574   0.61542114
 C   1.41265943   1.51908860  -0.77129721
 C  -0.89611206   1.87592582  -1.40531645
 C   0.35297746   1.30155734  -1.65640471
Br  -1.36986823  -1.15368753   1.91050711
 H  -2.06232078   3.11819756  -0.07376182
 H   2.05190361   2.48044627   1.05745916
 H  -0.17395892   3.50475772   1.50419697
 H   2.39114361   1.07280497  -0.96879074
 H  -1.72510606   1.70556851  -2.09748177
 H   0.50035717   0.68332777  -2.54624458
Br   0.98180199  -2.87628297  -0.75564288
Al   0.02425904  -2.91636392   1.64787613
Br  -0.62406117  -3.24821874  -2.53125406
Br  -0.66367849  -5.02986613   2.10239612
Br   2.32997525  -2.49959019   1.89146654
 18
 Energy -13343.56716649 Gradient 0.00002826
 C  -1.08367902   2.71379958  -0.27503838
 C   1.21372787   2.33893441   0.38895721
 C  -0.03047920   2.93290998   0.61714443
 C   1.40487602   1.52637235  -0.73200897
 C  -0.89290553   1.90042595  -1.39535846
 C   0.35152863   1.30693460  -1.62416227
Br  -1.36833952  -1.15322609   1.89896801
 H  -2.05708851   3.17865450  -0.09648197
 H   2.03756635   2.51033187   1.08697955
 H  -0.17998017   3.56880245   1.49393933
 H   2.37970039   1.06488714  -0.91189272
 H  -1.71699183   1.72857100  -2.09301096
 H   0.50016755   0.67220031  -2.50209059
Br   0.98204981  -2.88778346  -0.75917215
Al   0.02483013  -2.91777167   1.64504876
Br  -0.62501590  -3.26134642  -2.53351215
Br  -0.66284638  -5.02905049   2.10972609
Br   2.33119015  -2.50188870   1.88562680
 18
 Energy -13343.56714306 Gradient 0.00003819
 C  -1.08022048   2.75887906  -0.28428624
 C   1.20629718   2.37036141   0.40879383
 C  -0.03259589   2.98384473   0.61300924
 C   1.39774584   1.53243974  -0.69329794
 C  -0.88911490   1.92026889  -1.38578286
 C   0.35003064   1.30728474  -1.59060040
Br  -1.36912932  -1.15583040   1.88573066
 H  -2.04947417   3.23901178  -0.12449580
 H   2.02576402   2.54626362   1.11084277
 H  -0.18231561   3.63960281   1.47501527
 H   2.36839742   1.05544891  -0.85424483
 H  -1.70879900   1.74386015  -2.08746842
 H   0.49884145   0.65274923  -2.45384354
Br   0.98198110  -2.89823438  -0.76236280
Al   0.02569585  -2.92050362   1.64260500
Br  -0.62696572  -3.26917468  -2.53563439
Br  -0.65975483  -5.02980441   2.11965808
Br   2.33241275  -2.50464884   1.88052540
 18
 Energy -13343.56711358 Gradient 0.00005069
 C  -1.07452079   2.80024481  -0.29605101
 C   1.20186932   2.40006948   0.42327283
 C  -0.03090651   3.03290805   0.60397997
 C   1.39130631   1.53512589  -0.65809549
 C  -0.88550253   1.93447765  -1.37668590
 C   0.34757063   1.30220956  -1.55807768
Br  -1.37243744  -1.16077460   1.86912022
 H  -2.03894414   3.29562858  -0.15475642
 H   2.01818017   2.58196781   1.12749195
 H  -0.17896909   3.70995878   1.44967393
 H   2.35717027   1.04278693  -0.80049733
 H  -1.70207285   1.75196140  -2.08046817
 H   0.49462114   0.62635934  -2.40504203
Br   0.98197489  -2.90838780  -0.76493411
Al   0.02644076  -2.92463939   1.64097031
Br  -0.63015201  -3.26917768  -2.53751956
Br  -0.65410252  -5.03178573   2.13398463
Br   2.33339141  -2.50790014   1.87620211
 18
 Energy -13343.56708269 Gradient 0.00006977
 C  -1.06857834   2.83264579  -0.30713483
 C   1.19946345   2.42434478   0.43367720
 C  -0.02746861   3.07398047   0.59351014
 C   1.38553463   1.53390149  -0.62738434
 C  -0.88278124   1.94169782  -1.36767679
 C   0.34445421   1.29262021  -1.52814381
Br  -1.37738202  -1.16776601   1.84784040
 H  -2.02850602   3.34098250  -0.18202696
 H   2.01379234   2.61291997   1.13843720
 H  -0.17296138   3.77086081   1.42338704
 H   2.34673210   1.02808448  -0.75318758
 H  -1.69732898   1.75244001  -2.07199574
 H   0.48883646   0.59696534  -2.35938471
Br   0.98230492  -2.91813131  -0.76674189
Al   0.02735696  -2.92880913   1.63970765
Br  -0.63445183  -3.26070969  -2.53870825
Br  -0.64676584  -5.03338416   2.15216371
Br   2.33452570  -2.51212124   1.87308376
 18
 Energy -13343.56703638 Gradient 0.00009213
 C  -1.06390761   2.85511381  -0.31574979
 C   1.19771937   2.44227504   0.44198358
 C  -0.02430802   3.10509260   0.58430036
 C   1.38042604   1.53001365  -0.60096442
 C  -0.88144646   1.94240505  -1.35821014
 C   0.34089641   1.28016745  -1.50117501
Br  -1.38307569  -1.17536413   1.82333760
 H  -2.02002603   3.37369852  -0.20431823
 H   2.01083004   2.63753978   1.14632761
 H  -0.16716403   3.81902367   1.40003077
 H   2.33771847   1.01361365  -0.71284586
 H  -1.69482742   1.74631002  -2.06201732
 H   0.48247097   0.56729517  -2.31819320
Br   0.98345847  -2.92695641  -0.76841709
Al   0.02881073  -2.93313200   1.63852861
Br  -0.63947012  -3.24592170  -2.53906835
Br  -0.63920102  -5.03440186   2.17226909
Br   2.33623142  -2.51719209   1.87112297
 18
 Energy -13343.56697342 Gradient 0.00011627
 C  -1.06008286   2.87080814  -0.32268775
 C   1.19658608   2.45548075   0.44837390
 C  -0.02128825   3.12887227   0.57600415
 C   1.37596338   1.52457180  -0.57855823
 C  -0.88091600   1.93950887  -1.34914228
 C   0.33729392   1.26674518  -1.47745418
Br  -1.38895887  -1.18338024   1.79736018
 H  -2.01296301   3.39765428  -0.22270828
 H   2.00907199   2.65705708   1.15169202
 H  -0.16153863   3.85741516   1.37917225
 H   2.32994473   0.99974292  -0.67879603
 H  -1.69363920   1.73705170  -2.05189850
 H   0.47614134   0.53932124  -2.28199803
Br   0.98514519  -2.93521730  -0.76997735
Al   0.03052952  -2.93734548   1.63690822
Br  -0.64508510  -3.22754395  -2.53835956
Br  -0.63154612  -5.03473776   2.19299631
Br   2.33810293  -2.52261073   1.87013716
 18
 Energy -13343.56689101 Gradient 0.00014122
 C  -1.05691123   2.88189899  -0.32832050
 C   1.19579305   2.46547220   0.45364085
 C  -0.01851861   3.14749590   0.56866812
 C   1.37206708   1.51846552  -0.55900822
 C  -0.88083891   1.93452855  -1.34050328
 C   0.33383689   1.25319587  -1.45625244
Br  -1.39494623  -1.19160908   1.77048218
 H  -2.00704813   3.41539790  -0.23816799
 H   2.00789513   2.67280533   1.15571047
 H  -0.15632315   3.88862419   1.36067283
 H   2.32319173   0.98665850  -0.64920578
 H  -1.69328128   1.72605900  -2.04183279
 H   0.47003543   0.51297019  -2.24951018
Br   0.98705069  -2.94326713  -0.77152664
Al   0.03246872  -2.94119256   1.63558900
Br  -0.65118130  -3.20718533  -2.53665302
Br  -0.62375433  -5.03452629   2.21374243
Br   2.34018226  -2.52806060   1.86968479
 18
 Energy -13343.56679106 Gradient 0.00016568
 C  -1.05427927   2.88987087  -0.33298950
 C   1.19522925   2.47322841   0.45805033
 C  -0.01602545   3.16245561   0.56204540
 C   1.36855259   1.51196660  -0.54159408
 C  -0.88108943   1.92833893  -1.33220692
 C   0.33051162   1.23978983  -1.43691717
Br  -1.40073652  -1.20012746   1.74305569
 H  -2.00200946   3.42904909  -0.25143832
 H   2.00725531   2.68608189   1.15858841
 H  -0.15155636   3.91471847   1.34388406
 H   2.31718762   0.97433281  -0.62296796
 H  -1.69339151   1.71438776  -2.03204083
 H   0.46426653   0.48840912  -2.21999972
Br   0.98933068  -2.95140012  -0.77317003
Al   0.03461601  -2.94493556   1.63405702
Br  -0.65766528  -3.18552815  -2.53398675
Br  -0.61622724  -5.03384608   2.23423619
Br   2.34233458  -2.53322236   1.86982552
 18
 Energy -13343.56667052 Gradient 0.00019264
 C  -1.05210281   2.89540608  -0.33679165
 C   1.19487357   2.47948099   0.46173336
 C  -0.01371620   3.17472761   0.55603165
 C   1.36547934   1.50550603  -0.52602086
 C  -0.88163882   1.92119600  -1.32413595
 C   0.32731914   1.22665017  -1.41918257
Br  -1.40632717  -1.20886900   1.71534830
 H  -1.99782539   3.43915336  -0.26276918
 H   2.00691078   2.69749108   1.16064969
 H  -0.14708539   3.93688214   1.32860008
 H   2.31196145   0.96295152  -0.59958751
 H  -1.69412587   1.70183646  -2.02210181
 H   0.45867215   0.46506795  -2.19279885
Br   0.99179934  -2.96020054  -0.77489708
Al   0.03699951  -2.94853135   1.63236704
Br  -0.66447999  -3.16273080  -2.53045275
Br  -0.60882171  -5.03281686   2.25404109
Br   2.34450057  -2.53782363   1.87068020
 18
 Energy -13343.56652727 Gradient 0.00022195
 C  -1.05028911   2.89933909  -0.34008797
 C   1.19454177   2.48444298   0.46504424
 C  -0.01168694   3.18495194   0.55048662
 C   1.36255646   1.49892425  -0.51161104
 C  -0.88238001   1.91356300  -1.31632135
 C   0.32422339   1.21381909  -1.40252081
Br  -1.41148966  -1.21750728   1.68764282
 H  -1.99412568   3.44726094  -0.27299778
 H   2.00677225   2.70739075   1.16219849
 H  -0.14305700   3.95616560   1.31436813
 H   2.30709123   0.95211142  -0.57811232
 H  -1.69495708   1.68924544  -2.01256572
 H   0.45338293   0.44311931  -2.16738015
Br   0.99426706  -2.97065538  -0.77680428
Al   0.03962338  -2.95171836   1.63090380
Br  -0.67162217  -3.13882837  -2.52625761
Br  -0.60130662  -5.03157530   2.27273287
Br   2.34646277  -2.54147631   1.87240630
 18
 Energy -13343.56636199 Gradient 0.00025747
 C  -1.04891163   2.90172335  -0.34267398
 C   1.19429134   2.48863859   0.46791226
 C  -0.00992070   3.19350342   0.54546938
 C   1.35991763   1.49256622  -0.49841883
 C  -0.88335843   1.90548146  -1.30861955
 C   0.32121313   1.20134220  -1.38692040
Br  -1.41589355  -1.22587797   1.66039949
 H  -1.99123439   3.45295398  -0.28166580
 H   2.00677837   2.71633941   1.16324460
 H  -0.13944047   3.97289525   1.30132187
 H   2.30275077   0.94207578  -0.55852995
 H  -1.69634592   1.67615901  -2.00280837
 H   0.44826929   0.42208558  -2.14343627
Br   0.99640782  -2.98349600  -0.77912163
Al   0.04247873  -2.95459633   1.62965971
Br  -0.67902426  -3.11388464  -2.52185868
Br  -0.59363415  -5.03029758   2.29016930
Br   2.34810239  -2.54354723   1.87531131
 18
 Energy -13343.56617234 Gradient 0.00029743
 C  -1.04791504   2.90305064  -0.34472194
 C   1.19404766   2.49203026   0.47034872
 C  -0.00842876   3.20060766   0.54090370
 C   1.35743836   1.48643463  -0.48641830
 C  -0.88455666   1.89730614  -1.30113908
 C   0.31827749   1.18948330  -1.37242828
Br  -1.41943826  -1.23382345   1.63429213
 H  -1.98886297   3.45720194  -0.28918940
 H   2.00689210   2.72420801   1.16376586
 H  -0.13621184   3.98744226   1.28932016
 H   2.29876881   0.93280283  -0.54079048
 H  -1.69787016   1.66346706  -1.99338442
 H   0.44335299   0.40256491  -2.12129211
Br   0.99792350  -2.99941916  -0.78214974
Al   0.04571156  -2.95706216   1.62892357
Br  -0.68649415  -3.08803380  -2.51771755
Br  -0.58565323  -5.02899973   2.30617932
Br   2.34923946  -2.54361406   1.87962965
 18
 Energy -13343.56594989 Gradient 0.00034643
 C  -1.04726328   2.90347795  -0.34628005
 C   1.19387316   2.49489299   0.47228773
 C  -0.00706472   3.20664719   0.53663355
 C   1.35508656   1.48057504  -0.47563107
 C  -0.88605759   1.88907792  -1.29386279
 C   0.31526240   1.17811009  -1.35899710
Br  -1.42200451  -1.24105010   1.61008928
 H  -1.98707163   3.46001996  -0.29552616
 H   2.00723167   2.73140409   1.16366282
 H  -0.13313197   4.00026035   1.27812353
 H   2.29512123   0.92427061  -0.52498343
 H  -1.70000770   1.65075940  -1.98389112
 H   0.43852292   0.38434978  -2.10088125
Br   0.99856557  -3.01896875  -0.78607985
Al   0.04932467  -2.95889049   1.62851006
Br  -0.69372105  -3.06149435  -2.51414641
Br  -0.57738424  -5.02766985   2.32035714
Br   2.34971959  -2.54141709   1.88559886
 18
 Energy -13343.56569421 Gradient 0.00039882
 C  -1.04688560   2.90331681  -0.34744470
 C   1.19374113   2.49716393   0.47375740
 C  -0.00585884   3.21166507   0.53268721
 C   1.35280022   1.47490232  -0.46592868
 C  -0.88778671   1.88100701  -1.28685846
 C   0.31220503   1.16735190  -1.34656995
Br  -1.42355290  -1.24748263   1.58826373
 H  -1.98565342   3.46198348  -0.30087369
 H   2.00768406   2.73764192   1.16305185
 H  -0.13024479   4.01150438   1.26779556
 H   2.29162002   0.91618959  -0.51076137
 H  -1.70234181   1.63862632  -1.97471570
 H   0.43360672   0.36719209  -2.08185962
Br   0.99803296  -3.04195108  -0.79111560
Al   0.05350591  -2.95992659   1.62910421
Br  -0.70046397  -3.03469235  -2.51156835
Br  -0.56913461  -5.02630398   2.33245479
Br   2.34979563  -2.53694510   1.89337129
 18
 Energy -13343.56539881 Gradient 0.00045276
 C  -1.04677293   2.90257494  -0.34818457
 C   1.19369805   2.49901894   0.47472948
 C  -0.00472415   3.21582539   0.52901095
 C   1.35058020   1.46949097  -0.45737623
 C  -0.88980845   1.87310853  -1.28006776
 C   0.30900360   1.15710328  -1.33513991
Br  -1.42421118  -1.25320645   1.56913899
 H  -1.98466654   3.46300009  -0.30519050
 H   2.00841594   2.74330533   1.16179505
 H  -0.12743831   4.02121508   1.25825139
 H   2.28832277   0.90867289  -0.49834184
 H  -1.70522697   1.62684851  -1.96557665
 H   0.42859308   0.35108985  -2.06427246
Br   0.99618430  -3.06770906  -0.79738323
Al   0.05833059  -2.96022045   1.63027329
Br  -0.70647482  -3.00808292  -2.51008817
Br  -0.56102604  -5.02479726   2.34269798
Br   2.34958918  -2.53045593   1.90278641
 18
 Energy -13343.5650585 Gradient 0.00050332
 C  -1.04690360   2.90144453  -0.34859707
 C   1.19370185   2.50041471   0.47524318
 C  -0.00364981   3.21933877   0.52549914
 C   1.34836082   1.46418860  -0.44974643
 C  -0.89211211   1.86531138  -1.27344628
 C   0.30566344   1.14731501  -1.32451443
Br  -1.42419883  -1.25831393   1.55262990
 H  -1.98398631   3.46344970  -0.30864592
 H   2.00925744   2.74821260   1.16002834
 H  -0.12460655   4.03002175   1.24922521
 H   2.28508470   0.90145922  -0.48725597
 H  -1.70843885   1.61543898  -1.95653402
 H   0.42344225   0.33594291  -2.04798016
Br   0.99298307  -3.09550788  -0.80477858
Al   0.06375779  -2.95981021   1.63231315
Br  -0.71157682  -2.98194182  -2.50967352
Br  -0.55311987  -5.02320470   2.35127080
Br   2.34926253  -2.52226747   1.91345874
 18
 Energy -13343.56467534 Gradient 0.00054623
 C  -1.04721020   2.89996755  -0.34877576
 C   1.19373092   2.50150100   0.47538193
 C  -0.00259271   3.22234173   0.52203557
 C   1.34611371   1.45893140  -0.44283435
 C  -0.89469252   1.85754526  -1.26687553
 C   0.30213477   1.13773235  -1.31445373
Br  -1.42369280  -1.26288166   1.53837465
 H  -1.98356386   3.46339267  -0.31155568
 H   2.01028695   2.75270603   1.15774505
 H  -0.12174641   4.03790291   1.24047937
 H   2.28190616   0.89446505  -0.47734438
 H  -1.71214581   1.60412706  -1.94736268
 H   0.41807472   0.32133446  -2.03249803
Br   0.98851394  -3.12463779  -0.81319316
Al   0.06967196  -2.95869675   1.63531599
Br  -0.71568791  -2.95641903  -2.51018781
Br  -0.54545530  -5.02153728   2.35851507
Br   2.34890360  -2.51283751   1.92506131
 18
 Energy -13343.56425543 Gradient 0.00058174
 C  -1.04767507   2.89821411  -0.34876419
 C   1.19385586   2.50228224   0.47511272
 C  -0.00150413   3.22495224   0.51856601
 C   1.34376251   1.45353407  -0.43643170
 C  -0.89757799   1.84966838  -1.26027851
 C   0.29831289   1.12812183  -1.30468027
Br  -1.42283371  -1.26702576   1.52605765
 H  -1.98328343   3.46300253  -0.31393550
 H   2.01152430   2.75682321   1.15489119
 H  -0.11869854   4.04540767   1.23183224
 H   2.27861590   0.88738346  -0.46815655
 H  -1.71622766   1.59284268  -1.93801473
 H   0.41232257   0.30685712  -2.01746409
Br   0.98285782  -3.15454593  -0.82247001
Al   0.07596484  -2.95710483   1.63861440
Br  -0.71876544  -2.93151277  -2.51151778
Br  -0.53806331  -5.01964737   2.36475911
Br   2.34860756  -2.50261907   1.93746591
 18
 Energy -13343.56380192 Gradient 0.00060689
 C  -1.04825271   2.89616624  -0.34859069
 C   1.19399715   2.50278125   0.47452711
 C  -0.00035298   3.22725994   0.51497744
 C   1.34125959   1.44792804  -0.43036093
 C  -0.90078086   1.84156984  -1.25349837
 C   0.29417638   1.11831861  -1.29500295
Br  -1.42174179  -1.27077321   1.51530913
 H  -1.98315165   3.46229896  -0.31601245
 H   2.01295230   2.76059898   1.15152767
 H  -0.11549381   4.05237487   1.22308152
 H   2.27518852   0.88009676  -0.45951835
 H  -1.72083961   1.58134310  -1.92829363
 H   0.40609473   0.29220595  -2.00245234
Br   0.97606173  -3.18488000  -0.83242020
Al   0.08259374  -2.95498780   1.64243817
Br  -0.72082244  -2.90716830  -2.51356000
Br  -0.53087903  -5.01762065   2.37027115
Br   2.34842733  -2.49187463   1.95032533
 18
 Energy -13343.56332851 Gradient 0.00062511
 C  -1.04899502   2.89381040  -0.34829245
 C   1.19420658   2.50300208   0.47360028
 C   0.00085158   3.22930677   0.51123198
 C   1.33859400   1.44197389  -0.42448754
 C  -0.90435976   1.83305752  -1.24644969
 C   0.28965748   1.10813654  -1.28521936
Br  -1.42046506  -1.27417309   1.50583360
 H  -1.98312912   3.46128311  -0.31776902
 H   2.01455562   2.76417155   1.14760554
 H  -0.11199236   4.05936029   1.21402506
 H   2.27154534   0.87246107  -0.45115214
 H  -1.72592222   1.56936941  -1.91803046
 H   0.39933586   0.27716736  -1.98730466
Br   0.96821719  -3.21535733  -0.84292923
Al   0.08934033  -2.95249871   1.64680361
Br  -0.72196266  -2.88333174  -2.51625953
Br  -0.52385612  -5.01543203   2.37523946
Br   2.34847261  -2.48079162   1.96351800
 18
 Energy -13343.56283327 Gradient 0.00062972
 C  -1.04983063   2.89109858  -0.34790834
 C   1.19441982   2.50289440   0.47233723
 C   0.00217987   3.23112317   0.50716378
 C   1.33563487   1.43549633  -0.41865115
 C  -0.90834353   1.82403605  -1.23901833
 C   0.28465531   1.09732764  -1.27513259
Br  -1.41902703  -1.27730475   1.49743669
 H  -1.98319488   3.45997700  -0.31943499
 H   2.01638897   2.76746355   1.14305529
 H  -0.10821688   4.06603075   1.20446089
 H   2.26759624   0.86424286  -0.44294372
 H  -1.73166629   1.55681318  -1.90711461
 H   0.39186366   0.26135167  -1.97156202
Br   0.95941185  -3.24577903  -0.85402419
Al   0.09644359  -2.94946908   1.65169272
Br  -0.72222104  -2.85998989  -2.51948489
Br  -0.51709700  -5.01294911   2.37981001
Br   2.34876804  -2.46958932   1.97695038
 18
 Energy -13343.56234024 Gradient 0.00062713
 C  -1.05081266   2.88801433  -0.34746418
 C   1.19467997   2.50239041   0.47074230
 C   0.00362183   3.23272627   0.50276222
 C   1.33235368   1.42825329  -0.41264700
 C  -0.91280870   1.81425012  -1.23105731
 C   0.27906607   1.08560132  -1.26445283
Br  -1.41733018  -1.28022042   1.48988688
 H  -1.98324748   3.45848919  -0.32105629
 H   2.01843549   2.77055793   1.13780644
 H  -0.10393478   4.07304766   1.19408789
 H   2.26319285   0.85510494  -0.43446627
 H  -1.73799756   1.54336041  -1.89532844
 H   0.38361323   0.24444013  -1.95499517
Br   0.94968179  -3.27580327  -0.86566499
Al   0.10371659  -2.94606780   1.65712767
Br  -0.72153990  -2.83703298  -2.52332668
Br  -0.51062925  -5.01036102   2.38416972
Br   2.34924639  -2.45828834   1.99061202
 18
 Energy -13343.56183514 Gradient 0.00062240
 C  -1.05190518   2.88442845  -0.34695043
 C   1.19499913   2.50143353   0.46865238
 C   0.00533041   3.23412024   0.49771166
 C   1.32860415   1.42004297  -0.40644150
 C  -0.91795472   1.80345815  -1.22229129
 C   0.27264573   1.07262130  -1.25291466
Br  -1.41541374  -1.28294461   1.48300144
 H  -1.98333378   3.45666859  -0.32268239
 H   2.02085130   2.77338760   1.13158939
 H  -0.09906316   4.08002894   1.18257434
 H   2.25822498   0.84482010  -0.42574668
 H  -1.74538422   1.52864114  -1.88222535
 H   0.37401571   0.22575406  -1.93686111
Br   0.93910251  -3.30510450  -0.87776443
Al   0.11104180  -2.94256075   1.66305647
Br  -0.72001800  -2.81440557  -2.52794181
Br  -0.50441193  -5.00760050   2.38844681
Br   2.35004066  -2.44705210   2.00462158
 18
 Energy -13343.56133839 Gradient 0.00061468
 C  -1.05318852   2.88025311  -0.34642817
 C   1.19538855   2.49987427   0.46596112
 C   0.00730331   3.23526772   0.49196213
 C   1.32427131   1.41057384  -0.39994892
 C  -0.92391506   1.79139762  -1.21264094
 C   0.26520434   1.05809973  -1.24037221
Br  -1.41329834  -1.28554575   1.47668737
 H  -1.98342298   3.45449677  -0.32433719
 H   2.02361280   2.77586367   1.12425075
 H  -0.09331421   4.08750320   1.16960133
 H   2.25247631   0.83301095  -0.41661833
 H  -1.75388019   1.51239032  -1.86759646
 H   0.36291950   0.20509343  -1.91711393
Br   0.92781155  -3.33347702  -0.89041558
Al   0.11865619  -2.93860253   1.66957172
Br  -0.71781449  -2.79213790  -2.53329797
Br  -0.49851955  -5.00446738   2.39284930
Br   2.35126567  -2.43613036   2.01888019
 18
 Energy -13343.56084441 Gradient 0.00060903
 C  -1.05463273   2.87533954  -0.34592801
 C   1.19579602   2.49753818   0.46262203
 C   0.00957745   3.23603049   0.48526834
 C   1.31922769   1.39955808  -0.39300749
 C  -0.93079260   1.77781818  -1.20189706
 C   0.25659977   1.04164881  -1.22651466
Br  -1.41087160  -1.28804415   1.47080176
 H  -1.98347532   3.45194689  -0.32625323
 H   2.02683311   2.77789704   1.11549547
 H  -0.08678680   4.09500564   1.15487848
 H   2.24582735   0.81934197  -0.40687626
 H  -1.76369440   1.49429718  -1.85122212
 H   0.35012243   0.18196934  -1.89523701
Br   0.91602267  -3.36052487  -0.90370186
Al   0.12648652  -2.93444962   1.67680555
Br  -0.71505493  -2.77019517  -2.53944887
Br  -0.49306307  -5.00101407   2.39754970
Br   2.35291740  -2.42556061   2.03339401
 18
 Energy -13343.56035475 Gradient 0.00060949
 C  -1.05629355   2.86953400  -0.34550510
 C   1.19625888   2.49416698   0.45848361
 C   0.01225713   3.23632910   0.47745210
 C   1.31328460   1.38655602  -0.38549727
 C  -0.93881254   1.76241003  -1.18988281
 C   0.24652180   1.02289351  -1.21108687
Br  -1.40807487  -1.29055858   1.46518829
 H  -1.98345905   3.44890301  -0.32841026
 H   2.03048867   2.77917605   1.10522993
 H  -0.07901345   4.10300609   1.13787186
 H   2.23795669   0.80320900  -0.39625959
 H  -1.77507876   1.47403289  -1.83270270
 H   0.33514506   0.15574828  -1.87063020
Br   0.90400073  -3.38573030  -0.91776320
Al   0.13449895  -2.93012417   1.68470628
Br  -0.71192964  -2.74866658  -2.54639095
Br  -0.48820621  -4.99714918   2.40263806
Br   2.35514233  -2.41547126   2.04834965
 18
 Energy -13343.55986996 Gradient 0.00062015
 C  -1.05816006   2.86267801  -0.34523908
 C   1.19669029   2.48946051   0.45350299
 C   0.01532686   3.23591073   0.46835388
 C   1.30629536   1.37125230  -0.37732791
 C  -0.94807922   1.74496854  -1.17651491
 C   0.23479506   1.00149974  -1.19390787
Br  -1.40485783  -1.29311373   1.45971097
 H  -1.98331728   3.44534033  -0.33106168
 H   2.03463970   2.77946461   1.09321088
 H  -0.07013169   4.11086943   1.11847117
 H   2.22873868   0.78433655  -0.38471011
 H  -1.78824220   1.45138812  -1.81192427
 H   0.31758102   0.12616398  -1.84314126
Br   0.89206053  -3.40865708  -0.93256900
Al   0.14283658  -2.92564939   1.69338141
Br  -0.70859687  -2.72758751  -2.55411460
Br  -0.48417251  -4.99277669   2.40817499
Br   2.35799672  -2.40606749   2.06373803
 18
 Energy -13343.5593734 Gradient 0.00064476
 C  -1.06023202   2.85465680  -0.34525734
 C   1.19707388   2.48315914   0.44763706
 C   0.01885210   3.23464721   0.45776586
 C   1.29813624   1.35330542  -0.36831981
 C  -0.95864200   1.72533379  -1.16171176
 C   0.22130817   0.97723142  -1.17477565
Br  -1.40123284  -1.29577280   1.45419479
 H  -1.98299298   3.44117161  -0.33438866
 H   2.03917907   2.77838310   1.07942869
 H  -0.05981374   4.11892891   1.09609674
 H   2.21795777   0.76225852  -0.37189789
 H  -1.80309268   1.42633991  -1.78884975
 H   0.29756757   0.09316306  -1.81260582
Br   0.88047937  -3.42888835  -0.94790989
Al   0.15140861  -2.92099815   1.70279681
Br  -0.70521062  -2.70702416  -2.56252173
Br  -0.48118784  -4.98780501   2.41414295
Br   2.36165852  -2.39754041   2.07944609
 18
 Energy -13343.55887385 Gradient 0.00068200
 C  -1.06247684   2.84542350  -0.34569251
 C   1.19736597   2.47504847   0.44084117
 C   0.02283872   3.23236490   0.44555344
 C   1.28875395   1.33261255  -0.35845587
 C  -0.97053750   1.70349794  -1.14551020
 C   0.20598077   0.95003865  -1.15364090
Br  -1.39708333  -1.29873463   1.44848992
 H  -1.98240093   3.43645140  -0.33866610
 H   2.04413182   2.77570346   1.06381052
 H  -0.04818844   4.12656305   1.07075187
 H   2.20551952   0.73680218  -0.35770671
 H  -1.81983455   1.39883796  -1.76338219
 H   0.27477938   0.05649156  -1.77870796
Br   0.86946240  -3.44609452  -0.96341074
Al   0.16023665  -2.91635966   1.71252645
Br  -0.70196716  -2.68704499  -2.57135958
Br  -0.47939176  -4.98222780   2.42042864
Br   2.36616937  -2.38978717   2.09529529
 18
 Energy -13343.55834479 Gradient 0.00073862
 C  -1.06493600   2.83490435  -0.34654694
 C   1.19752434   2.46501290   0.43311688
 C   0.02721755   3.22887578   0.43175605
 C   1.27810832   1.30918572  -0.34775828
 C  -0.98374713   1.67960703  -1.12801028
 C   0.18885065   0.92014100  -1.13061342
Br  -1.39225737  -1.30217727   1.44247812
 H  -1.98162099   3.43098580  -0.34374685
 H   2.04935877   2.77114428   1.04641833
 H  -0.03522140   4.13380974   1.04233334
 H   2.19136521   0.70804098  -0.34218076
 H  -1.83826872   1.36921070  -1.73574662
 H   0.24939516   0.01664085  -1.74165224
Br   0.85910620  -3.46014017  -0.97852198
Al   0.16952761  -2.91203083   1.72187557
Br  -0.69899111  -2.66768048  -2.58036747
Br  -0.47893509  -4.97595176   2.42684181
Br   2.37150453  -2.38273230   2.11105551
 18
 Energy -13343.55778098 Gradient 0.00081970
 C  -1.06755424   2.82320259  -0.34784102
 C   1.19750057   2.45296036   0.42463514
 C   0.03195882   3.22405171   0.41649576
 C   1.26626108   1.28321847  -0.33623758
 C  -0.99815458   1.65396970  -1.10933898
 C   0.17003128   0.88787784  -1.10584120
Br  -1.38667632  -1.30629748   1.43608126
 H  -1.98056901   3.42488114  -0.34975775
 H   2.05480430   2.76453312   1.02750031
 H  -0.02113057   4.14000936   1.01123781
 H   2.17558575   0.67618661  -0.32533973
 H  -1.85835850   1.33785881  -1.70608042
 H   0.22156141  -0.02596690  -1.70168085
Br   0.84936920  -3.47107830  -0.99264227
Al   0.17942440  -2.90816434   1.72970649
Br  -0.69630177  -2.64894858  -2.58924867
Br  -0.47987449  -4.96882392   2.43317730
Br   2.37761207  -2.37632301   2.12650138
 18
 Energy -13343.55716019 Gradient 0.00093058
 C  -1.07033136   2.81034356  -0.34959107
 C   1.19726968   2.43892090   0.41555417
 C   0.03696449   3.21779956   0.39993266
 C   1.25337100   1.25500164  -0.32391763
 C  -1.01355409   1.62693616  -1.08975398
 C   0.14984533   0.85382068  -1.07960299
Br  -1.38016933  -1.31122066   1.42941377
 H  -1.97928140   3.41814537  -0.35666969
 H   2.06029110   2.75572392   1.00745294
 H  -0.00604594   4.14515935   0.97764424
 H   2.15835660   0.64163868  -0.30721289
 H  -1.87962646   1.30527857  -1.67495521
 H   0.19180123  -0.07026151  -1.65951643
Br   0.84018261  -3.47913763  -1.00515353
Al   0.19018598  -2.90532744   1.73415555
Br  -0.69392724  -2.63079228  -2.59775235
Br  -0.48214364  -4.96076125   2.43926509
Br   2.38416677  -2.37035319   2.14150522
 18
 Energy -13343.55646481 Gradient 0.00107947
 C  -1.07319020   2.79651265  -0.35181475
 C   1.19680752   2.42313301   0.40609668
 C   0.04207664   3.21008511   0.38243578
 C   1.23973778   1.22516430  -0.31104718
 C  -1.02957262   1.59902117  -1.06967932
 C   0.12873198   0.81863404  -1.05239878
Br  -1.37250456  -1.31704937   1.42283312
 H  -1.97783512   3.41058023  -0.36433050
 H   2.06563990   2.74485552   0.98670892
 H   0.00952057   4.14862582   0.94242395
 H   2.14006444   0.60514886  -0.28805118
 H  -1.90175392   1.27201136  -1.64278665
 H   0.16069602  -0.11566426  -1.61558790
Br   0.83155619  -3.48469001  -1.01556736
Al   0.20189734  -2.90424873   1.73284073
Br  -0.69197727  -2.61316998  -2.60575413
Br  -0.48557057  -4.95158440   2.44507298
Br   2.39067599  -2.36466960   2.15602976
 18
 Energy -13343.55566422 Gradient 0.00128278
 C  -1.07613100   2.78201295  -0.35436274
 C   1.19605946   2.40593756   0.39663442
 C   0.04709088   3.20106016   0.36456416
 C   1.22571366   1.19451832  -0.29788841
 C  -1.04581299   1.57103735  -1.04965228
 C   0.10731614   0.78340760  -1.02501439
Br  -1.36353154  -1.32379272   1.41678039
 H  -1.97629161   3.40253154  -0.37253430
 H   2.07065447   2.73210302   0.96606213
 H   0.02511294   4.15042588   0.90661261
 H   2.12117414   0.56775837  -0.26828833
 H  -1.92401216   1.23911093  -1.61061338
 H   0.12916787  -0.16057178  -1.57130156
Br   0.82369132  -3.48825089  -1.02350389
Al   0.21462870  -2.90551447   1.72370926
Br  -0.69066900  -2.59611973  -2.61340578
Br  -0.48988146  -4.94128273   2.45068910
Br   2.39651972  -2.35910761   2.17010715
 18
 Energy -13343.55472143 Gradient 0.00152609
 C  -1.07905792   2.76741236  -0.35712084
 C   1.19512782   2.38799938   0.38754963
 C   0.05185591   3.19106892   0.34699369
 C   1.21179961   1.16416298  -0.28487895
 C  -1.06180995   1.54388974  -1.03021108
 C   0.08625621   0.74929800  -0.99828478
Br  -1.35349134  -1.33116469   1.41157892
 H  -1.97472962   3.39416480  -0.38086340
 H   2.07513754   2.71798147   0.94623154
 H   0.04019821   4.15032027   0.87155004
 H   2.10237143   0.53078714  -0.24870078
 H  -1.94585729   1.20748125  -1.57926941
 H   0.09863355  -0.20329923  -1.52867040
Br   0.81742752  -3.49076483  -1.02825336
Al   0.22823509  -2.90960107   1.70599624
Br  -0.69080650  -2.57943091  -2.62152263
Br  -0.49475001  -4.93007877   2.45622276
Br   2.40134925  -2.35360988   2.18378352
 18
 Energy -13343.55360055 Gradient 0.00174901
 C  -1.08200054   2.75320807  -0.36008116
 C   1.19415209   2.36988603   0.37911270
 C   0.05614347   3.18044343   0.33029522
 C   1.19866805   1.13502990  -0.27228343
 C  -1.07707704   1.51846652  -1.01192962
 C   0.06636213   0.71727694  -0.97300948
Br  -1.34298303  -1.33872379   1.40729411
 H  -1.97330410   3.38592354  -0.38910914
 H   2.07916645   2.70324631   0.92788412
 H   0.05421778   4.14854383   0.83859115
 H   2.08441777   0.49536208  -0.22958661
 H  -1.96652648   1.17786332  -1.54947120
 H   0.06949442  -0.24289260  -1.48850423
Br   0.81389550  -3.49336261  -1.02922330
Al   0.24263478  -2.91621427   1.68130043
Br  -0.69345534  -2.56266980  -2.63118464
Br  -0.49990272  -4.91848581   2.46171272
Br   2.40515507  -2.34819934   2.19701038
 18
 Energy -13343.55228913 Gradient 0.00193212
 C  -1.08507978   2.73945072  -0.36318758
 C   1.19331137   2.35189455   0.37144640
 C   0.05987973   3.16940934   0.31466625
 C   1.18660856   1.10744598  -0.26011892
 C  -1.09155329   1.49489523  -0.99493958
 C   0.04792196   0.68746209  -0.94943337
Br  -1.33249739  -1.34616507   1.40369224
 H  -1.97213672   3.37772449  -0.39715698
 H   2.08260062   2.68823565   0.91118274
 H   0.06689209   4.14501964   0.80810534
 H   2.06760735   0.46173383  -0.21121950
 H  -1.98579068   1.15025225  -1.52180501
 H   0.04235045  -0.27903733  -1.45200582
Br   0.81330442  -3.49649706  -1.02699082
Al   0.25769538  -2.92474349   1.65309275
Br  -0.69878633  -2.54569985  -2.64273665
Br  -0.50520586  -4.90689611   2.46716137
Br   2.40819904  -2.34286479   2.20977504
 18
 Energy -13343.55081431 Gradient 0.00206541
 C  -1.08820842   2.72587410  -0.36634622
 C   1.19257384   2.33405227   0.36437792
 C   0.06322614   3.15799673   0.29994613
 C   1.17538729   1.08115352  -0.24831552
 C  -1.10535326   1.47275285  -0.97916904
 C   0.03061223   0.65932581  -0.92731171
Br  -1.32223576  -1.35346516   1.40051720
 H  -1.97112754   3.36951437  -0.40504746
 H   2.08586953   2.67322800   0.89569647
 H   0.07860005   4.14050254   0.77948524
 H   2.05177824   0.42982411  -0.19352230
 H  -2.00366401   1.12459025  -1.49643112
 H   0.01749120  -0.31199081  -1.41941602
Br   0.81498079  -3.50021332  -1.02282943
Al   0.27326226  -2.93433334   1.62420214
Br  -0.70615306  -2.52843861  -2.65571330
Br  -0.51061430  -4.89543051   2.47257076
Br   2.41077344  -2.33763046   2.22216809
 18
 Energy -13343.54921376 Gradient 0.00215938
 C  -1.09127279   2.71235732  -0.36952989
 C   1.19188241   2.31631825   0.35764178
 C   0.06634699   3.14620759   0.28587285
 C   1.16473634   1.05581004  -0.23696217
 C  -1.11857763   1.45154500  -0.96435262
 C   0.01410481   0.63236776  -0.90636491
Br  -1.31228050  -1.36064639   1.39756942
 H  -1.97010360   3.36108682  -0.41287559
 H   2.08885101   2.65801701   0.88076583
 H   0.08957537   4.13478934   0.75212105
 H   2.03674267   0.39916436  -0.17676673
 H  -2.02056675   1.10027224  -1.47294844
 H  -0.00574702  -0.34278086  -1.39013074
Br   0.81838007  -3.50450233  -1.01757717
Al   0.28941153  -2.94446431   1.59620346
Br  -0.71503632  -2.51076218  -2.66969331
Br  -0.51612480  -4.88412738   2.47794212
Br   2.41304166  -2.33248392   2.23428096
 18
 Energy -13343.54752673 Gradient 0.00222314
 C  -1.09424589   2.69875725  -0.37274695
 C   1.19116155   2.29857244   0.35101134
 C   0.06930901   3.13404022   0.27218095
 C   1.15445748   1.03102994  -0.22605828
 C  -1.13133169   1.43094797  -0.95024100
 C  -0.00180364   0.60621771  -0.88642150
Br  -1.30257632  -1.36779625   1.39469962
 H  -1.96909902   3.35246636  -0.42072283
 H   2.09186114   2.64267584   0.86616350
 H   0.10011310   4.12844488   0.72565398
 H   2.02229674   0.36953070  -0.16071523
 H  -2.03662346   1.07706292  -1.45079461
 H  -0.02769219  -0.37176040  -1.36354195
Br   0.82317452  -3.50926500  -1.01171579
Al   0.30594069  -2.95486986   1.56996819
Br  -0.72510716  -2.49264358  -2.68439684
Br  -0.52172166  -4.87294957   2.48327764
Br   2.41507604  -2.32738571   2.24616729
 18
 Energy -13343.54576321 Gradient 0.00226506
 C  -1.09708338   2.68508977  -0.37603248
 C   1.19044704   2.28076483   0.34434420
 C   0.07222270   3.12152705   0.25873179
 C   1.14440637   1.00668183  -0.21558661
 C  -1.14372864   1.41079332  -0.93675471
 C  -0.01731063   0.58068387  -0.86731318
Br  -1.29307853  -1.37496381   1.39180635
 H  -1.96795180   3.34356224  -0.42868089
 H   2.09468485   2.62690969   0.85151190
 H   0.11032077   4.12112012   0.69974045
 H   2.00825455   0.34048722  -0.14547695
 H  -2.05215989   1.05464026  -1.42990161
 H  -0.04860113  -0.39959395  -1.33939420
Br   0.82918672  -3.51451812  -1.00549850
Al   0.32250120  -2.96514585   1.54581634
Br  -0.73616105  -2.47399375  -2.69960092
Br  -0.52738654  -4.86196637   2.48858471
Br   2.41695496  -2.32232532   2.25785739
 18
 Energy -13343.54398127 Gradient 0.00228884
 C  -1.09981213   2.67131537  -0.37934630
 C   1.18972926   2.26283502   0.33752542
 C   0.07508234   3.10864152   0.24541198
 C   1.13453653   0.98259807  -0.20563016
 C  -1.15583728   1.39101011  -0.92380016
 C  -0.03250852   0.55559154  -0.84896008
Br  -1.28392456  -1.38198898   1.38880179
 H  -1.96680387   3.33449038  -0.43657022
 H   2.09770755   2.61096850   0.83672065
 H   0.12037914   4.11334087   0.67426897
 H   1.99458810   0.31214401  -0.13093446
 H  -2.06720104   1.03306463  -1.40989609
 H  -0.06847228  -0.42617954  -1.31739706
Br   0.83627744  -3.52028876  -0.99903214
Al   0.33922564  -2.97546529   1.52391702
Br  -0.74804438  -2.45477114  -2.71512743
Br  -0.53307533  -4.85123998   2.49384410
Br   2.41874523  -2.31728881   2.26933435
 18
 Energy -13343.54215837 Gradient 0.00230365
 C  -1.10247196   2.65739802  -0.38272257
 C   1.18902573   2.24480594   0.33048389
 C   0.07791554   3.09542655   0.23212855
 C   1.12488273   0.95879999  -0.19614217
 C  -1.16770057   1.37145914  -0.91122297
 C  -0.04737891   0.53094300  -0.83130193
Br  -1.27509890  -1.38887576   1.38560951
 H  -1.96563999   3.32497810  -0.44447828
 H   2.10052798   2.59454699   0.82169088
 H   0.13021257   4.10465410   0.64903097
 H   1.98120831   0.28406477  -0.11706018
 H  -2.08197236   1.01178666  -1.39054798
 H  -0.08815493  -0.45194577  -1.29747254
Br   0.84433453  -3.52658563  -0.99235096
Al   0.35600747  -2.98569431   1.50438951
Br  -0.76063524  -2.43495837  -2.73082968
Br  -0.53874280  -4.84079103   2.49900790
Br   2.42043119  -2.31226168   2.28056046
 18
 Energy -13343.54032357 Gradient 0.00230777
 C  -1.10502866   2.64334378  -0.38617263
 C   1.18834991   2.22663114   0.32323143
 C   0.08075259   3.08187541   0.21881989
 C   1.11531642   0.93516934  -0.18713242
 C  -1.17938705   1.35214001  -0.89899897
 C  -0.06203162   0.50668476  -0.81429289
Br  -1.26653629  -1.39567310   1.38219541
 H  -1.96439949   3.31537809  -0.45240215
 H   2.10362259   2.57800795   0.80638424
 H   0.13999211   4.09564146   0.62398019
 H   1.96808353   0.25657133  -0.10392997
 H  -2.09645146   0.99116975  -1.37169728
 H  -0.10680186  -0.47674418  -1.27917939
Br   0.85329871  -3.53340558  -0.98545746
Al   0.37251745  -2.99561882   1.48709153
Br  -0.77383340  -2.41455662  -2.74656172
Br  -0.54437981  -4.83062874   2.50404586
Br   2.42202511  -2.30725479   2.29149974
 18
 Energy -13343.53847986 Gradient 0.00229996
 C  -1.10748507   2.62922541  -0.38968318
 C   1.18770876   2.20832233   0.31567614
 C   0.08363901   3.06807413   0.20542053
 C   1.10588937   0.91172293  -0.17853943
 C  -1.19094135   1.33307124  -0.88706062
 C  -0.07650249   0.48275119  -0.79781127
Br  -1.25828050  -1.40231546   1.37855649
 H  -1.96311827   3.30542179  -0.46034601
 H   2.10658648   2.56086540   0.79068214
 H   0.14970081   4.08583053   0.59892437
 H   1.95516621   0.22922204  -0.09143465
 H  -2.11081096   0.97085805  -1.35336451
 H  -0.12510771  -0.50089849  -1.26275093
Br   0.86309736  -3.54076013  -0.97835331
Al   0.38867489  -3.00523397   1.47175971
Br  -0.78752480  -2.39358785  -2.76217550
Br  -0.54996215  -4.82077552   2.50892560
Br   2.42354706  -2.30227082   2.30212086
 18
 Energy -13343.53664023 Gradient 0.00228404
 C  -1.10988744   2.61500907  -0.39328758
 C   1.18710561   2.18986266   0.30775349
 C   0.08654180   3.05398007   0.19187073
 C   1.09649510   0.88834175  -0.17036467
 C  -1.20235316   1.31416906  -0.87532396
 C  -0.09088226   0.45910381  -0.78178427
Br  -1.25031394  -1.40879559   1.37463611
 H  -1.96179675   3.29545377  -0.46829597
 H   2.10979724   2.54367698   0.77455247
 H   0.15948338   4.07583282   0.57384479
 H   1.94234855   0.20221338  -0.07931491
 H  -2.12501762   0.95107039  -1.33513867
 H  -0.14294432  -0.52430373  -1.24752141
Br   0.87362522  -3.54862450  -0.97107573
Al   0.40438482  -3.01456186   1.45829656
Br  -0.80160717  -2.37207367  -2.77753773
Br  -0.55545871  -4.81122381   2.51362916
Br   2.42501640  -2.29729526   2.31241949
 18
 Energy -13343.53480486 Gradient 0.00225314
 C  -1.11220689   2.60073216  -0.39697432
 C   1.18656345   2.17122282   0.29945078
 C   0.08953931   3.03962603   0.17813452
 C   1.08716126   0.86507469  -0.16258637
 C  -1.21380058   1.29544576  -0.86375085
 C  -0.10526485   0.43567332  -0.76604454
Br  -1.24261828  -1.41507202   1.37039922
 H  -1.96041816   3.28514741  -0.47633559
 H   2.11299461   2.52578815   0.75781142
 H   0.16926475   4.06501723   0.54860515
 H   1.92958042   0.17517103  -0.06790038
 H  -2.13927358   0.93148340  -1.31728675
 H  -0.16061487  -0.54727339  -1.23372158
Br   0.88476057  -3.55699851  -0.96363866
Al   0.41976282  -3.02357375   1.44651763
Br  -0.81596753  -2.35004561  -2.79250762
Br  -0.56085645  -4.80196169   2.51813626
Br   2.42639951  -2.29233146   2.32237395
 18
 Energy -13343.53299615 Gradient 0.00221698
 C  -1.11449907   2.58629098  -0.40071930
 C   1.18603806   2.15228553   0.29072058
 C   0.09260457   3.02496127   0.16412798
 C   1.07776955   0.84170237  -0.15519494
 C  -1.22525034   1.27683775  -0.85223393
 C  -0.11970930   0.41242259  -0.75062275
Br  -1.23521442  -1.42109210   1.36577466
 H  -1.95898583   3.27482897  -0.48431601
 H   2.11641906   2.50770943   0.74054947
 H   0.17925002   4.05406025   0.52307765
 H   1.91692051   0.14842032  -0.05687635
 H  -2.15355573   0.91231007  -1.29923795
 H  -0.17787191  -0.56956451  -1.22104464
Br   0.89645915  -3.56582939  -0.95604224
Al   0.43488539  -3.03227505   1.43630129
Br  -0.83049636  -2.32749830  -2.80693510
Br  -0.56613903  -4.79300908   2.52243583
Br   2.42764087  -2.28740778   2.33194466
 18
 Energy -13343.53120187 Gradient 0.00216948
 C  -1.11675321   2.57175952  -0.40453457
 C   1.18553973   2.13306411   0.28150995
 C   0.09576508   3.00992287   0.14974429
 C   1.06827450   0.81824105  -0.14804685
 C  -1.23686204   1.25830317  -0.84060827
 C  -0.13424666   0.38926425  -0.73545679
Br  -1.22802597  -1.42683671   1.36072853
 H  -1.95755658   3.26417021  -0.49229262
 H   2.11981762   2.48881883   0.72254158
 H   0.18938996   4.04224549   0.49700309
 H   1.90384583   0.12111752  -0.04592236
 H  -2.16824059   0.89331721  -1.28094938
 H  -0.19525804  -0.59172642  -1.20941267
Br   0.90865428  -3.57500740  -0.94833610
Al   0.44963797  -3.04077794   1.42740027
Br  -0.84508373  -2.30448251  -2.82068221
Br  -0.57131530  -4.78435620   2.52653144
Br   2.42872038  -2.28251818   2.34112925
 18
 Energy -13343.52945597 Gradient 0.00211331
 C  -1.11899228   2.55704355  -0.40841153
 C   1.18507550   2.11339910   0.27171508
 C   0.09907225   2.99452510   0.13489857
 C   1.05854201   0.79450501  -0.14115729
 C  -1.24866133   1.23980701  -0.82885013
 C  -0.14920919   0.36600783  -0.72018614
Br  -1.22099278  -1.43229316   1.35524140
 H  -1.95592572   3.25361901  -0.50036013
 H   2.12350524   2.46965127   0.70372182
 H   0.19990457   4.03026773   0.47031121
 H   1.89070309   0.09395215  -0.03529180
 H  -2.18313023   0.87476905  -1.26230068
 H  -0.21265735  -0.61334939  -1.19877470
Br   0.92119267  -3.58448763  -0.94057020
Al   0.46399339  -3.04918175   1.41952173
Br  -0.85959375  -2.28106207  -2.83359079
Br  -0.57639473  -4.77595612   2.53041671
Br   2.42966559  -2.27760932   2.34992063
 18
 Energy -13343.5277448 Gradient 0.00204974
 C  -1.12123188   2.54216684  -0.41238072
 C   1.18463763   2.09323634   0.26128659
 C   0.10252860   2.97864400   0.11958008
 C   1.04859839   0.77045569  -0.13446497
 C  -1.26087399   1.22129845  -0.81677279
 C  -0.16454031   0.34270298  -0.70480224
Br  -1.21414064  -1.43740470   1.34921119
 H  -1.95436897   3.24262839  -0.50845600
 H   2.12729966   2.44919520   0.68378836
 H   0.21072065   4.01732144   0.44284114
 H   1.87690368   0.06584251  -0.02461193
 H  -2.19861018   0.85609168  -1.24315293
 H  -0.23071273  -0.63478838  -1.18927493
Br   0.93396577  -3.59420941  -0.93279554
Al   0.47801733  -3.05759937   1.41257000
Br  -0.87389967  -2.25723717  -2.84549013
Br  -0.58136017  -4.76778962   2.53408128
Br   2.43049682  -2.27269367   2.35831950
 18
 Energy -13343.52608524 Gradient 0.00198584
 C  -1.12360253   2.52698024  -0.41615100
 C   1.18418835   2.07238786   0.25003574
 C   0.10614022   2.96226887   0.10361621
 C   1.03822383   0.74582689  -0.12790805
 C  -1.27338625   1.20278377  -0.80441678
 C  -0.18051557   0.31909938  -0.68909244
Br  -1.20740880  -1.44209859   1.34253832
 H  -1.95268722   3.23170939  -0.51626152
 H   2.13135804   2.42841225   0.66258407
 H   0.22210307   4.00411607   0.41435357
 H   1.86279479   0.03757121  -0.01396862
 H  -2.21449653   0.83807133  -1.22348836
 H  -0.24889849  -0.65583494  -1.18067538
Br   0.94688919  -3.60409794  -0.92506398
Al   0.49165438  -3.06604264   1.40645817
Br  -0.88787463  -2.23304579  -2.85620400
Br  -0.58619141  -4.75985235   2.53750731
Br   2.43117084  -2.26780122   2.36632251
 18
 Energy -13343.52449371 Gradient 0.00190797
 C  -1.12601722   2.51147609  -0.42020531
 C   1.18365509   2.05103546   0.23809232
 C   0.10985283   2.94538071   0.08671215
 C   1.02754044   0.72085010  -0.12134591
 C  -1.28650134   1.18404470  -0.79122346
 C  -0.19713064   0.29509302  -0.67270676
Br  -1.20082043  -1.44627823   1.33513335
 H  -1.95110854   3.22014048  -0.52479105
 H   2.13552325   2.40626880   0.63993523
 H   0.23378204   3.99004497   0.38401060
 H   1.84806552   0.00841176  -0.00354187
 H  -2.23134539   0.81944997  -1.20214933
 H  -0.26790991  -0.67688750  -1.17312401
Br   0.95979934  -3.61405378  -0.91745353
Al   0.50507960  -3.07459953   1.40093475
Br  -0.90135649  -2.20857935  -2.86553694
Br  -0.59085812  -4.75215124   2.54070942
Br   2.43168330  -2.26294872   2.37392726
 18
 Energy -13343.5229264 Gradient 0.00182825
 C  -1.12851191   2.49575892  -0.42453025
 C   1.18306467   2.02876077   0.22530602
 C   0.11373485   2.92780423   0.06901204
 C   1.01631169   0.69513564  -0.11474459
 C  -1.30043414   1.16501313  -0.77701945
 C  -0.21451404   0.27088919  -0.65563297
Br  -1.19441966  -1.44978160   1.32685948
 H  -1.94914918   3.20897144  -0.53347755
 H   2.13974480   2.38355587   0.61627801
 H   0.24611231   3.97541388   0.35262027
 H   1.83294955  -0.02097822   0.00730127
 H  -2.24910224   0.80130849  -1.17959608
 H  -0.28707447  -0.69712958  -1.16689132
Br   0.97258136  -3.62395905  -0.90998081
Al   0.51851344  -3.08355040   1.39593741
Br  -0.91420534  -2.18391717  -2.87331359
Br  -0.59532238  -4.74468777   2.54366707
Br   2.43199689  -2.25818673   2.38109732
 18
 Energy -13343.52142926 Gradient 0.00174625
 C  -1.13100857   2.47980684  -0.42857587
 C   1.18235287   2.00553148   0.21173744
 C   0.11789246   2.90950305   0.05072469
 C   1.00438508   0.66859930  -0.10808194
 C  -1.31498042   1.14618656  -0.76216742
 C  -0.23299886   0.24620615  -0.63790275
Br  -1.18803526  -1.45262343   1.31758838
 H  -1.94729442   3.19719860  -0.54208798
 H   2.14436226   2.35856257   0.59065169
 H   0.25919568   3.95962853   0.31969535
 H   1.81652844  -0.05203347   0.01811087
 H  -2.26794876   0.78339613  -1.15553293
 H  -0.30781630  -0.71711840  -1.16251871
Br   0.98516557  -3.63373137  -0.90264752
Al   0.53143722  -3.09254931   1.39141674
Br  -0.92628925  -2.15911626  -2.87935587
Br  -0.59957347  -4.73748929   2.54636169
Br   2.43210204  -2.25355213   2.38777650
 18
 Energy -13343.52000956 Gradient 0.00164423
 C  -1.13359833   2.46352819  -0.43267949
 C   1.18156976   1.98133320   0.19734479
 C   0.12222756   2.89053942   0.03144380
 C   0.99177204   0.64152127  -0.10121002
 C  -1.33035206   1.12726299  -0.74616110
 C  -0.25268286   0.22092361  -0.61885662
Br  -1.18175495  -1.45462737   1.30722428
 H  -1.94490237   3.18583125  -0.55106850
 H   2.14885078   2.33299890   0.56419705
 H   0.27283321   3.94327344   0.28538975
 H   1.79958367  -0.08305708   0.02988913
 H  -2.28772764   0.76640483  -1.13026894
 H  -0.32847158  -0.73597363  -1.16046737
Br   0.99737658  -3.64324942  -0.89552520
Al   0.54402087  -3.10184862   1.38710441
Br  -0.93743458  -2.13436963  -2.88349643
Br  -0.60358094  -4.73062452   2.54880388
Br   2.43203402  -2.24905025   2.39395178
 18
 Energy -13343.51865676 Gradient 0.00151027
 C  -1.13632434   2.44711025  -0.43696335
 C   1.18046101   1.95650638   0.18211739
 C   0.12652909   2.87105509   0.01136380
 C   0.97854280   0.61384442  -0.09369494
 C  -1.34635410   1.10845364  -0.72907379
 C  -0.27332212   0.19519922  -0.59835562
Br  -1.17576599  -1.45545704   1.29569458
 H  -1.94293721   3.17366424  -0.56079346
 H   2.15366709   2.30557398   0.53513580
 H   0.28693411   3.92602785   0.24877736
 H   1.78149001  -0.11538627   0.04219326
 H  -2.30850113   0.74915404  -1.10281220
 H  -0.35062304  -0.75393529  -1.16098091
Br   1.00903897  -3.65238962  -0.88865671
Al   0.55675401  -3.11210321   1.38297567
Br  -0.94750266  -2.10989777  -2.88563267
Br  -0.60727215  -4.72412996   2.55099824
Br   2.43181329  -2.24473818   2.39958998
 18
 Energy -13343.51739991 Gradient 0.00132227
 C  -1.13908189   2.43055918  -0.44145163
 C   1.17911525   1.93095478   0.16596183
 C   0.13089714   2.85102804  -0.00957213
 C   0.96471585   0.58578682  -0.08593498
 C  -1.36316862   1.08982913  -0.71061918
 C  -0.29520377   0.16894365  -0.57611839
Br  -1.17008255  -1.45502439   1.28298918
 H  -1.94031880   3.16210436  -0.57111470
 H   2.15787060   2.27772888   0.50594741
 H   0.30119066   3.90809139   0.21169123
 H   1.76314248  -0.14724362   0.05603049
 H  -2.33014374   0.73325110  -1.07410887
 H  -0.37255227  -0.76975732  -1.16539996
Br   1.02004154  -3.66106250  -0.88205472
Al   0.56965681  -3.12305970   1.37898784
Br  -0.95640438  -2.08588757  -2.88573883
Br  -0.61061247  -4.71808443   2.55297139
Br   2.43142572  -2.24072569   2.40463621
 18
 Energy -13343.51627262 Gradient 0.00103541
 C  -1.14182768   2.41405280  -0.44611884
 C   1.17743591   1.90508764   0.14927747
 C   0.13512600   2.83083672  -0.03077195
 C   0.95029081   0.55767725  -0.07759218
 C  -1.38033786   1.07167002  -0.69118057
 C  -0.31803407   0.14224804  -0.55214530
Br  -1.16483527  -1.45322311   1.26910986
 H  -1.93821893   3.14964798  -0.58223120
 H   2.16255308   2.24810533   0.47403980
 H   0.31566852   3.88961523   0.17272374
 H   1.74347783  -0.17998791   0.07049133
 H  -2.35286197   0.71768100  -1.04241686
 H  -0.39585876  -0.78406432  -1.17350967
Br   1.03029189  -3.66920476  -0.87572326
Al   0.58270202  -3.13519302   1.37499685
Br  -0.96408232  -2.06253550  -2.88387700
Br  -0.61362707  -4.71255153   2.55469471
Br   2.43103339  -2.23694033   2.40912527
 18
 Energy -13343.51532376 Gradient 0.00061215
 C  -1.14445909   2.39766862  -0.45119503
 C   1.17536825   1.87915058   0.13168162
 C   0.13913095   2.81059111  -0.05221900
 C   0.93563985   0.52981738  -0.06912812
 C  -1.39784674   1.05405592  -0.67047663
 C  -0.34181476   0.11491216  -0.52607409
Br  -1.16013246  -1.45007657   1.25419308
 H  -1.93554561   3.13771687  -0.59434474
 H   2.16609224   2.21866440   0.44306783
 H   0.32940570   3.87070780   0.13526741
 H   1.72451909  -0.21088243   0.08682814
 H  -2.37580293   0.70405814  -1.01020460
 H  -0.41859088  -0.79484497  -1.18819871
Br   1.03975748  -3.67672892  -0.86968659
Al   0.59619364  -3.14869695   1.37095945
Br  -0.97055132  -2.03999906  -2.88017535
Br  -0.61629824  -4.70752908   2.55623337
Br   2.43057473  -2.23344390   2.41305068
 18
 Energy -13343.51465862 Gradient 0.00006197
 C  -1.14673462   2.38164103  -0.45683578
 C   1.17291037   1.85333868   0.11390139
 C   0.14300856   2.79069466  -0.07345934
 C   0.92063605   0.50252582  -0.06085608
 C  -1.41528817   1.03729303  -0.64900791
 C  -0.36638409   0.08724861  -0.49837892
Br  -1.15599624  -1.44576632   1.23838219
 H  -1.93316764   3.12513696  -0.60751025
 H   2.16983634   2.18785509   0.41039274
 H   0.34308659   3.85176259   0.09705153
 H   1.70474264  -0.24163983   0.10328480
 H  -2.39964375   0.69144712  -0.97429179
 H  -0.44279801  -0.80377529  -1.20779760
Br   1.04847619  -3.68383595  -0.86395833
Al   0.60991730  -3.16343958   1.36671549
Br  -0.97588616  -2.01832413  -2.87479143
Br  -0.61868130  -4.70292214   2.55762624
Br   2.43015850  -2.23013217   2.41652005
 18
 Energy -13343.51440299  ZPE 0.100168  G(298.15) 30.01
 C  -1.14849612   2.36651824  -0.46323293
 C   1.17003786   1.82882986   0.09622077
 C   0.14658522   2.77202346  -0.09402773
 C   0.90560976   0.47675318  -0.05198793
 C  -1.43204726   1.02189969  -0.62718014
 C  -0.39099793   0.05992016  -0.46906918
Br  -1.15239813  -1.44030218   1.22157550
 H  -1.93051878   3.11312545  -0.62152339
 H   2.17232704   2.15808939   0.38039973
 H   0.35548781   3.83361062   0.06196955
 H   1.68509280  -0.26968652   0.12394104
 H  -2.42317715   0.68140233  -0.93701544
 H  -0.46724725  -0.80966406  -1.23455853
Br   1.05667810  -3.69045720  -0.85836941
Al   0.62416796  -3.17937912   1.36215775
Br  -0.98010536  -1.99694303  -2.86781414
Br  -0.62073039  -4.69868165   2.55878146
Br   2.42973181  -2.22705863   2.41973304
 18
 Energy -13343.5147152 Gradient 0.00006197
 C  -1.14988183   2.35151821  -0.47092756
 C   1.16677097   1.80511341   0.07736923
 C   0.14972479   2.75395135  -0.11470724
 C   0.89046028   0.45183158  -0.04379533
 C  -1.44826474   1.00695166  -0.60495692
 C  -0.41580440   0.03269949  -0.43831700
Br  -1.14943663  -1.43401958   1.20424522
 H  -1.92821408   3.10039638  -0.63679094
 H   2.17401452   2.12869151   0.35052905
 H   0.36644808   3.81574352   0.02851652
 H   1.66554885  -0.29581766   0.14641988
 H  -2.44677237   0.67243272  -0.89682853
 H  -0.49480772  -0.81678833  -1.26870612
Br   1.06411993  -3.69639634  -0.85294137
Al   0.63911855  -3.19567968   1.35789340
Br  -0.98327078  -1.97615890  -2.85934888
Br  -0.62227882  -4.69497206   2.55978097
Br   2.42901521  -2.22469970   2.42244099
 18
 Energy -13343.51585732 Gradient 0.00084153
 C  -1.15043089   2.33650106  -0.48054399
 C   1.16287948   1.78188339   0.05656537
 C   0.15243152   2.73631517  -0.13528151
 C   0.87457501   0.42705638  -0.03781522
 C  -1.46350440   0.99173595  -0.58273301
 C  -0.44092128   0.00645989  -0.40616348
Br  -1.14710285  -1.42749470   1.18694398
 H  -1.92664880   3.08601707  -0.65321477
 H   2.17550127   2.09799316   0.31826145
 H   0.37627596   3.79791707  -0.00310057
 H   1.64467898  -0.32136644   0.16972766
 H  -2.47130821   0.66402021  -0.84933762
 H  -0.53180014  -0.83540603  -1.32560598
Br   1.07050046  -3.70173033  -0.84779745
Al   0.65363179  -3.21237767   1.35339070
Br  -0.98537395  -1.95658860  -2.84933588
Br  -0.62348691  -4.69186454   2.56071217
Br   2.42835352  -2.22281658   2.42461793
 18
 Energy -13343.52053312 Gradient 0.00217751
 C  -1.14827096   2.32769615  -0.48942713
 C   1.15993984   1.76936182   0.04035309
 C   0.15382740   2.72587725  -0.14747652
 C   0.86237261   0.40991991  -0.03511030
 C  -1.47114191   0.97872462  -0.56867950
 C  -0.45702547  -0.00107224  -0.36933051
Br  -1.14565347  -1.42304611   1.17530067
 H  -1.92447488   3.07708097  -0.66515058
 H   2.17487919   2.08057150   0.30126830
 H   0.37957863   3.78747526  -0.01277922
 H   1.62924181  -0.33360873   0.19985327
 H  -2.48878078   0.66117530  -0.80627853
 H  -0.58947783  -0.94306240  -1.51559684
Br   1.07416847  -3.70484420  -0.84450352
Al   0.66271645  -3.22342842   1.34982538
Br  -0.98610798  -1.94435302  -2.84203935
Br  -0.62416702  -4.69016328   2.56127415
Br   2.42801096  -2.22171311   2.42583381
 18
 Energy -13343.53311948 Gradient 0.01645382
 C  -1.14311674   2.32355290  -0.50007480
 C   1.15888527   1.76648975   0.02667730
 C   0.15420388   2.72197750  -0.15359548
 C   0.85545041   0.40197962  -0.02823159
 C  -1.47293179   0.96803243  -0.55834144
 C  -0.46637630   0.01785444  -0.29979550
Br  -1.14459767  -1.41994090   1.16703194
 H  -1.92289139   3.06768194  -0.68091460
 H   2.17738117   2.07035892   0.28053083
 H   0.37914938   3.78214420  -0.01539904
 H   1.61421704  -0.34000636   0.23634342
 H  -2.50042534   0.65348969  -0.75582068
 H  -0.61868758  -1.06405180  -1.71565491
Br   1.07606255  -3.70651803  -0.84270738
Al   0.66748858  -3.22972088   1.34800131
Br  -0.98754010  -1.94113586  -2.84232020
Br  -0.62438359  -4.68947410   2.56154743
Br   2.42781108  -2.22124105   2.42631949
 18
 Energy -13343.54134205 Gradient 0.01188551
 C  -1.13877838   2.31805106  -0.51438784
 C   1.16035847   1.76362160   0.00964684
 C   0.15587589   2.71864491  -0.16655539
 C   0.85146174   0.39918752  -0.00711334
 C  -1.47751959   0.96170278  -0.53511887
 C  -0.48051921   0.03593705  -0.20330950
Br  -1.14361949  -1.41598253   1.15603632
 H  -1.91645429   3.06054250  -0.71102919
 H   2.18394045   2.06743422   0.24340429
 H   0.38252693   3.77995668  -0.03745334
 H   1.60460377  -0.34087930   0.27596019
 H  -2.50906310   0.64532998  -0.70197886
 H  -0.57721361  -1.06644134  -1.76825075
Br   1.07876269  -3.70894580  -0.84074848
Al   0.67381909  -3.23818353   1.34704192
Br  -0.99107446  -1.94056968  -2.84792581
Br  -0.62458807  -4.68855358   2.56182977
Br   2.42751827  -2.22064581   2.42694904
 18
 Energy -13343.54811452 Gradient 0.00952601
 C  -1.13600826   2.31351721  -0.52704843
 C   1.16348696   1.76291437  -0.00576764
 C   0.15991666   2.71715151  -0.18935682
 C   0.84742309   0.40127682   0.02731387
 C  -1.48319566   0.95989664  -0.49865809
 C  -0.49365648   0.04653002  -0.11596645
Br  -1.14359532  -1.41270438   1.14498049
 H  -1.90821296   3.05401293  -0.74973611
 H   2.19285921   2.06871850   0.19645519
 H   0.39239532   3.77998883  -0.09139900
 H   1.60076508  -0.33656595   0.31549557
 H  -2.51606829   0.64098143  -0.65353462
 H  -0.53005912  -1.05277075  -1.81011897
Br   1.08215616  -3.71204785  -0.83894210
Al   0.68165293  -3.24799471   1.34717777
Br  -0.99541822  -1.93992792  -2.85494752
Br  -0.62484926  -4.68742773   2.56209749
Br   2.42718183  -2.21997249   2.42777605
 18
 Energy -13343.55361921 Gradient 0.00771280
 C  -1.13376840   2.31036672  -0.53696169
 C   1.16680006   1.76429292  -0.01902782
 C   0.16661149   2.71753898  -0.22315641
 C   0.84255135   0.40737587   0.06882593
 C  -1.48823166   0.96113135  -0.45539160
 C  -0.50202264   0.06068990  -0.04164005
Br  -1.14507558  -1.41179002   1.13532785
 H  -1.90131125   3.04738270  -0.78591932
 H   2.20163596   2.07125441   0.15177508
 H   0.40794147   3.78193270  -0.17207304
 H   1.59551842  -0.32708110   0.36559881
 H  -2.52229589   0.64070576  -0.59694194
 H  -0.48312253  -1.03888131  -1.86290933
Br   1.08633516  -3.71593544  -0.83737450
Al   0.69065005  -3.25842074   1.34816777
Br  -1.00047129  -1.93870150  -2.86282309
Br  -0.62525052  -4.68619549   2.56241232
Br   2.42692606  -2.21921858   2.42892809
 18
 Energy -13343.55815706 Gradient 0.00626958
 C  -1.13186453   2.31016926  -0.54546900
 C   1.17102155   1.76845240  -0.03063676
 C   0.17551472   2.71914123  -0.26614805
 C   0.83944731   0.41870898   0.11307118
 C  -1.49286077   0.96791842  -0.41072382
 C  -0.50698662   0.07848070   0.02143436
Br  -1.14816725  -1.41429301   1.12793845
 H  -1.89623885   3.04270986  -0.81586220
 H   2.20966495   2.07561235   0.11354473
 H   0.42659999   3.78223947  -0.26996770
 H   1.59013071  -0.31229628   0.42362653
 H  -2.52854833   0.64543192  -0.53514393
 H  -0.43740150  -1.02272893  -1.91310662
Br   1.09134791  -3.72067755  -0.83610084
Al   0.70001308  -3.26866141   1.34965351
Br  -1.00619492  -1.93679370  -2.87151025
Br  -0.62582233  -4.68497564   2.56282384
Br   2.42690395  -2.21836185   2.43052841
 18
 Energy -13343.56198738 Gradient 0.00522496
 C  -1.12939905   2.31340600  -0.55421352
 C   1.17593104   1.77526441  -0.04170958
 C   0.18580125   2.72151097  -0.31424364
 C   0.83713469   0.43432692   0.15690403
 C  -1.49647968   0.97950968  -0.36745124
 C  -0.51022821   0.09869654   0.07693944
Br  -1.15249421  -1.41997169   1.12284857
 H  -1.89161339   3.04122852  -0.84284088
 H   2.21778632   2.08172770   0.07977221
 H   0.44663935   3.78069367  -0.37492897
 H   1.58561045  -0.29173261   0.48350752
 H  -2.53407828   0.65736800  -0.47389601
 H  -0.39545048  -1.01258093  -1.96398247
Br   1.09717991  -3.72626629  -0.83511139
Al   0.70899737  -3.27806423   1.35121109
Br  -1.01248719  -1.93405507  -2.88073080
Br  -0.62654084  -4.68385334   2.56334667
Br   2.42722123  -2.21742422   2.43265488
 18
 Energy -13343.5652254 Gradient 0.00442517
 C  -1.12584723   2.31864613  -0.56430884
 C   1.18075120   1.78331601  -0.05297182
 C   0.19663861   2.72391039  -0.36386791
 C   0.83475519   0.45299412   0.19912671
 C  -1.49918177   0.99491687  -0.32636819
 C  -0.51348536   0.12029544   0.12857342
Br  -1.15746449  -1.42769879   1.11957608
 H  -1.88626611   3.04110641  -0.87050385
 H   2.22545503   2.08723514   0.04816377
 H   0.46680564   3.77587093  -0.48092172
 H   1.58138828  -0.26748067   0.54186785
 H  -2.53905529   0.67488206  -0.41587565
 H  -0.35595599  -1.00699798  -2.00834848
Br   1.10385676  -3.73272730  -0.83433873
Al   0.71737016  -3.28632853   1.35262304
Br  -1.01935920  -1.93048020  -2.89053994
Br  -0.62736433  -4.68286464   2.56396044
Br   2.42788399  -2.21643743   2.43533301
 18
 Energy -13343.56793891 Gradient 0.00373150
 C  -1.12150046   2.32457240  -0.57567934
 C   1.18511470   1.79111828  -0.06416892
 C   0.20747482   2.72480132  -0.41344917
 C   0.83163097   0.47308981   0.23983303
 C  -1.50158902   1.01256054  -0.28736272
 C  -0.51741253   0.14271006   0.17818865
Br  -1.16263953  -1.43612320   1.11762977
 H  -1.88015144   3.04111525  -0.89968865
 H   2.23278665   2.09088830   0.01792849
 H   0.48656666   3.76704380  -0.58496968
 H   1.57682688  -0.24130431   0.59786827
 H  -2.54384594   0.69667616  -0.36140669
 H  -0.31717502  -1.01045663  -2.04951463
Br   1.11151907  -3.74019366  -0.83364673
Al   0.72519155  -3.29338438   1.35388806
Br  -1.02696320  -1.92592509  -2.90111649
Br  -0.62822409  -4.68197581   2.56458903
Br   2.42885260  -2.21545051   2.43861102
 18
 Energy -13343.57013162 Gradient 0.00307116
 C  -1.11694774   2.32978619  -0.58785264
 C   1.18880090   1.79730626  -0.07483371
 C   0.21794493   2.72289409  -0.46209552
 C   0.82762177   0.49337105   0.27921974
 C  -1.50421818   1.03134549  -0.25024590
 C  -0.52238028   0.16522292   0.22604394
Br  -1.16776178  -1.44401101   1.11681628
 H  -1.87351766   3.04004932  -0.93000708
 H   2.23925082   2.09155244  -0.01009513
 H   0.50563392   3.75261782  -0.68646566
 H   1.57123074  -0.21504649   0.65216810
 H  -2.54897589   0.72072086  -0.31006369
 H  -0.27570028  -1.02251971  -2.08569585
Br   1.12042479  -3.74891941  -0.83285745
Al   0.73260130  -3.29931237   1.35505960
Br  -1.03560386  -1.92021901  -2.91289375
Br  -0.62901618  -4.68110760   2.56512801
Br   2.43008507  -2.21449065   2.44258727
 18
 Energy -13343.57184565 Gradient 0.00244369
 C  -1.11270815   2.33318095  -0.60058243
 C   1.19158785   1.80099928  -0.08447391
 C   0.22738693   2.71725254  -0.50863233
 C   0.82265391   0.51251014   0.31696279
 C  -1.50736672   1.04980146  -0.21552757
 C  -0.52828442   0.18690035   0.27136259
Br  -1.17264970  -1.45027628   1.11737402
 H  -1.86697107   3.03702052  -0.96074512
 H   2.24467870   2.08897964  -0.03547357
 H   0.52324376   3.73257827  -0.78290062
 H   1.56449334  -0.18987337   0.70449827
 H  -2.55451384   0.74527393  -0.26207436
 H  -0.22759677  -1.04810799  -2.12159981
Br   1.13094903  -3.75925816  -0.83169860
Al   0.73966053  -3.30411294   1.35616955
Br  -1.04575126  -1.91299307  -2.92644194
Br  -0.62960259  -4.68014500   2.56541563
Br   2.43156148  -2.21364734   2.44744584
 18
 Energy -13343.57311014 Gradient 0.00185663
 C  -1.10926971   2.33384275  -0.61330643
 C   1.19332404   1.80170380  -0.09268027
 C   0.23528196   2.70791080  -0.55090714
 C   0.81710166   0.52905362   0.35148191
 C  -1.51094162   1.06598388  -0.18524938
 C  -0.53465762   0.20615715   0.31194017
Br  -1.17715850  -1.45401830   1.11999104
 H  -1.86104269   3.03143052  -0.99043350
 H   2.24869265   2.08330948  -0.05718916
 H   0.53846281   3.70771795  -0.87028351
 H   1.55689223  -0.16764007   0.75298004
 H  -2.56025534   0.76747697  -0.22030136
 H  -0.16840727  -1.09430467  -2.15605428
Br   1.14355316  -3.77152914  -0.82977846
Al   0.74614473  -3.30746940   1.35741953
Br  -1.05798981  -1.90378657  -2.94253990
Br  -0.62982625  -4.67896806   2.56524446
Br   2.43317425  -2.21307803   2.45339808
 18
 Energy -13343.57406478 Gradient 0.00136941
 C  -1.10677519   2.33144458  -0.62570311
 C   1.19406306   1.79970146  -0.09890957
 C   0.24104183   2.69631737  -0.58557250
 C   0.81160715   0.54141475   0.37990553
 C  -1.51445930   1.07745367  -0.16306513
 C  -0.54072919   0.22109068   0.34415674
Br  -1.18087832  -1.45501655   1.12544090
 H  -1.85613307   3.02344814  -1.01765974
 H   2.25115034   2.07600825  -0.07321249
 H   0.55007585   3.68220120  -0.94079777
 H   1.54926054  -0.14991770   0.79432204
 H  -2.56535610   0.78388760  -0.18977800
 H  -0.09124375  -1.18410953  -2.18720583
Br   1.15814700  -3.78533141  -0.82672191
Al   0.75145186  -3.30867481   1.35894754
Br  -1.07256572  -1.89234100  -2.96133607
Br  -0.62960674  -4.67760403   2.56447494
Br   2.43470303  -2.21290540   2.46037714
 18
 Energy -13343.57484204 Gradient 0.00105048
 C  -1.10525511   2.32684908  -0.63674593
 C   1.19412730   1.79676647  -0.10271284
 C   0.24439225   2.68581298  -0.60932586
 C   0.80747231   0.54894268   0.39917645
 C  -1.51701398   1.08280507  -0.15102994
 C  -0.54508014   0.23050675   0.36524185
Br  -1.18312483  -1.45422691   1.13293574
 H  -1.85268971   3.01432438  -1.04014599
 H   2.25215718   2.06986927  -0.08266212
 H   0.55715200   3.66164532  -0.98813794
 H   1.54336762  -0.13808337   0.82367269
 H  -2.56869702   0.79187665  -0.17360037
 H   0.00524549  -1.36191023  -2.20523525
Br   1.17260956  -3.79825576  -0.82286518
Al   0.75431042  -3.30691122   1.36133677
Br  -1.08790569  -1.87992906  -2.98063702
Br  -0.62904953  -4.67639666   2.56320213
Br   2.43595934  -2.21316595   2.46734658
 18
 Energy -13343.5758337 Gradient 0.00103187
 C  -1.10459704   2.32245495  -0.64445461
 C   1.19379383   1.79519752  -0.10410952
 C   0.24557710   2.67916621  -0.62209901
 C   0.80546670   0.55312770   0.41024474
 C  -1.51808534   1.08352191  -0.14695213
 C  -0.54656982   0.23513670   0.37521789
Br  -1.18367484  -1.45329345   1.13939663
 H  -1.85110526   3.00664608  -1.05503916
 H   2.25215297   2.06716983  -0.08641148
 H   0.55994868   3.64971959  -1.01305734
 H   1.54066826  -0.13080597   0.84044976
 H  -2.56977144   0.79295229  -0.16883665
 H   0.07643845  -1.66708932  -2.19256506
Br   1.18359766  -3.80710882  -0.81964295
Al   0.75364680  -3.30206197   1.36523552
Br  -1.10007541  -1.86917258  -2.99577438
Br  -0.62844031  -4.67585257   2.56186074
Br   2.43685663  -2.21366135   2.47243541
 18
 Energy -13343.57737953 Gradient 0.00158361
 C  -1.10460998   2.31911204  -0.64909558
 C   1.19343940   1.79529684  -0.10392148
 C   0.24562383   2.67590928  -0.62818676
 C   0.80498525   0.55600784   0.41644380
 C  -1.51828958   1.08244677  -0.14645952
 C  -0.54621533   0.23761163   0.37918994
Br  -1.18315305  -1.45296563   1.14342763
 H  -1.85086509   3.00103361  -1.06387557
 H   2.25176154   2.06730636  -0.08719078
 H   0.56026999   3.64376938  -1.02528326
 H   1.54025261  -0.12595200   0.84911774
 H  -2.56964405   0.79068654  -0.16930557
 H   0.04863145  -2.03777507  -2.15528269
Br   1.19110278  -3.81239512  -0.81770968
Al   0.74971870  -3.29443821   1.37034522
Br  -1.10753233  -1.86093168  -3.00554184
Br  -0.62790440  -4.67596098   2.56066073
Br   2.43754946  -2.21425751   2.47537105
 18
 Energy -13343.57896548 Gradient 0.00222449
 C  -1.10481598   2.31583482  -0.65360538
 C   1.19302869   1.79637697  -0.10331651
 C   0.24496503   2.67347241  -0.63279201
 C   0.80529544   0.55873936   0.42119212
 C  -1.51817196   1.08045543  -0.14694187
 C  -0.54510849   0.23955860   0.38199474
Br  -1.18196277  -1.45289002   1.14692112
 H  -1.85121169   2.99517183  -1.07230977
 H   2.25114839   2.06913281  -0.08703676
 H   0.55937701   3.63967485  -1.03428064
 H   1.54101479  -0.12145905   0.85543508
 H  -2.56889977   0.78696933  -0.17133896
 H  -0.09477759  -2.38849855  -2.12610623
Br   1.19897067  -3.81805447  -0.81544084
Al   0.74270749  -3.28326556   1.37554095
Br  -1.11372451  -1.85294465  -3.01402730
Br  -0.62739842  -4.67645041   2.55918704
Br   2.43837100  -2.21512237   2.47780369
 18
 Energy -13343.57968149 Gradient 0.00155695
 C  -1.10547824   2.30865708  -0.66378245
 C   1.19196255   1.79899270  -0.10189380
 C   0.24333671   2.66971934  -0.64089145
 C   0.80606312   0.56353135   0.42902803
 C  -1.51722985   1.07527531  -0.15095362
 C  -0.54310347   0.24077735   0.38554638
Br  -1.17941460  -1.45177026   1.15404078
 H  -1.85224388   2.98336036  -1.08929042
 H   2.24925031   2.07474598  -0.08389074
 H   0.55668134   3.63379382  -1.04817425
 H   1.54221953  -0.11251981   0.86897512
 H  -2.56695641   0.77836847  -0.17764643
 H  -0.25388645  -2.58885110  -2.13340690
Br   1.21231820  -3.82873285  -0.80847657
Al   0.73601064  -3.27113787   1.37771790
Br  -1.12638380  -1.84183337  -3.02849583
Br  -0.62730984  -4.67680391   2.55589460
Br   2.43934469  -2.21662127   2.48253260
 18
 Energy -13343.57997356 Gradient 0.00051747
 C  -1.10521824   2.29597601  -0.68361516
 C   1.19006098   1.80319147  -0.09812098
 C   0.24162292   2.66372937  -0.65356098
 C   0.80585550   0.57102252   0.44168604
 C  -1.51531204   1.06555169  -0.16257007
 C  -0.54129775   0.24101074   0.38955376
Br  -1.17477205  -1.44894014   1.16626241
 H  -1.85169119   2.96293905  -1.12164704
 H   2.24578775   2.08443232  -0.07418582
 H   0.55357238   3.62523993  -1.06792678
 H   1.54150035  -0.09763309   0.89380695
 H  -2.56321915   0.76296455  -0.19527170
 H  -0.29600076  -2.60870613  -2.16228427
Br   1.22819512  -3.84112490  -0.79930197
Al   0.73780358  -3.26796681   1.37865796
Br  -1.14632598  -1.82902883  -3.04924064
Br  -0.62860459  -4.67651523   2.55082530
Br   2.44000082  -2.21822563   2.49104813
 18
 Energy -13343.58018859 Gradient 0.00031975
 C  -1.10367942   2.27776966  -0.71243689
 C   1.18743755   1.80965596  -0.09078534
 C   0.23989841   2.65605203  -0.66924025
 C   0.80541418   0.58128773   0.45909379
 C  -1.51104709   1.05040472  -0.18203064
 C  -0.53842456   0.23997494   0.39275410
Br  -1.16747525  -1.44572511   1.18121320
 H  -1.84926968   2.93362166  -1.16838372
 H   2.24057034   2.09945211  -0.05647893
 H   0.55016651   3.61475676  -1.09132676
 H   1.53975241  -0.07685287   0.92858028
 H  -2.55597423   0.73896366  -0.22532760
 H  -0.30208144  -2.58672732  -2.18821579
Br   1.24033758  -3.84731381  -0.79405458
Al   0.74489669  -3.27127245   1.38095236
Br  -1.16671301  -1.81876630  -3.07034652
Br  -0.63114974  -4.67674108   2.54576600
Br   2.44056412  -2.22022872   2.50264786
 18
 Energy -13343.58033938 Gradient 0.00022848
 C  -1.09891659   2.25406599  -0.74878141
 C   1.18500652   1.81805797  -0.07894759
 C   0.23982180   2.64648067  -0.68660279
 C   0.80499124   0.59391407   0.48162937
 C  -1.50400109   1.03019920  -0.20873257
 C  -0.53401129   0.23791519   0.39537679
Br  -1.15902398  -1.44267149   1.19708855
 H  -1.84232404   2.89583523  -1.22775043
 H   2.23441160   2.11901650  -0.02982000
 H   0.54823946   3.60219493  -1.11675285
 H   1.53678820  -0.05099183   0.97307102
 H  -2.54460447   0.70714135  -0.26721870
 H  -0.32143746  -2.57856975  -2.20594446
Br   1.24753852  -3.84508552  -0.79191343
Al   0.75051656  -3.27312959   1.38343011
Br  -1.18508829  -1.81241609  -3.08953824
Br  -0.63322955  -4.67799050   2.54101364
Br   2.44157891  -2.22436367   2.51526507
 18
 Energy -13343.58048007 Gradient 0.00018607
 C  -1.08964464   2.22766202  -0.78959117
 C   1.18336135   1.82702815  -0.06239196
 C   0.24307839   2.63567010  -0.70353340
 C   0.80394305   0.60745555   0.50847495
 C  -1.49356057   1.00754617  -0.24023960
 C  -0.52894663   0.23530914   0.39750071
Br  -1.15203535  -1.43922062   1.21264448
 H  -1.82882928   2.85377894  -1.29505938
 H   2.22810749   2.14035499   0.00523612
 H   0.55084650   3.58810302  -1.14137228
 H   1.53120101  -0.02293055   1.02497400
 H  -2.52876470   0.67149804  -0.31780202
 H  -0.33218474  -2.56551868  -2.21854378
Br   1.25060921  -3.83598719  -0.79165912
Al   0.75442194  -3.27364730   1.38601369
Br  -1.20110635  -1.81023468  -3.10586803
Br  -0.63413574  -4.68009242   2.53650563
Br   2.44313664  -2.23036420   2.52692794
 18
 Energy -13343.58061618 Gradient 0.00017092
 C  -1.07624294   2.20007884  -0.83147515
 C   1.18236139   1.83641085  -0.04214591
 C   0.24934694   2.62443230  -0.71874764
 C   0.80220869   0.62163805   0.53834453
 C  -1.48026065   0.98388642  -0.27355959
 C  -0.52345086   0.23276040   0.40006456
Br  -1.14689977  -1.43544769   1.22728220
 H  -1.80932499   2.80980776  -1.36506533
 H   2.22163134   2.16257797   0.04604435
 H   0.55745764   3.57347954  -1.16365920
 H   1.52318909   0.00633493   1.08125135
 H  -2.50913267   0.63438915  -0.37233410
 H  -0.34566134  -2.55808614  -2.22629780
Br   1.25154281  -3.82293732  -0.79273154
Al   0.75680513  -3.27303499   1.38832791
Br  -1.21524835  -1.81121384  -3.11975046
Br  -0.63411667  -4.68302584   2.53221668
Br   2.44471528  -2.23670914   2.53721540
 18
 Energy -13343.58074475 Gradient 0.00016430
 C  -1.05902916   2.17259749  -0.87274586
 C   1.18182481   1.84614039  -0.01865892
 C   0.25843788   2.61334786  -0.73155674
 C   0.79945085   0.63620480   0.57036600
 C  -1.46457329   0.96044038  -0.30715178
 C  -0.51788571   0.23051331   0.40299708
Br  -1.14315626  -1.43135713   1.24117869
 H  -1.78408812   2.76581460  -1.43510868
 H   2.21484543   2.18519193   0.09155513
 H   0.56800423   3.55892543  -1.18280890
 H   1.51230673   0.03596304   1.14019370
 H  -2.48623731   0.59725489  -0.42839298
 H  -0.35491286  -2.54949093  -2.23257480
Br   1.25121341  -3.80820953  -0.79433649
Al   0.75789361  -3.27135282   1.39021600
Br  -1.22842814  -1.81455316  -3.13206794
Br  -0.63329322  -4.68643679   2.52783332
Br   2.44614933  -2.24283079   2.54602512
 18
 Energy -13343.58088644 Gradient 0.00016176
 C  -1.03951343   2.14513159  -0.91264251
 C   1.18085997   1.85706374   0.00679646
 C   0.26864994   2.60294368  -0.74237737
 C   0.79595094   0.65190048   0.60380216
 C  -1.44672903   0.93684798  -0.33986844
 C  -0.51191656   0.22883327   0.40686448
Br  -1.14014572  -1.42693035   1.25447688
 H  -1.75538908   2.72130920  -1.50374708
 H   2.20674180   2.20950816   0.13938172
 H   0.58000268   3.54514673  -1.19945446
 H   1.49979895   0.06723165   1.20041454
 H  -2.46024188   0.55958857  -0.48400557
 H  -0.36593221  -2.54437536  -2.23728884
Br   1.25010567  -3.79290690  -0.79621952
Al   0.75838771  -3.26898802   1.39187913
Br  -1.24111365  -1.81971887  -3.14347373
Br  -0.63204537  -4.69014726   2.52324755
Br   2.44760512  -2.24848874   2.55365639
 18
 Energy -13343.58101238 Gradient 0.00016057
 C  -1.01763679   2.11809157  -0.95071573
 C   1.17940069   1.86882056   0.03422939
 C   0.28009054   2.59323851  -0.75088372
 C   0.79125951   0.66818141   0.63816303
 C  -1.42737103   0.91364144  -0.37160189
 C  -0.50598048   0.22744383   0.41121370
Br  -1.13754369  -1.42255245   1.26711857
 H  -1.72286271   2.67716331  -1.57031628
 H   2.19729895   2.23482986   0.18965808
 H   0.59370805   3.53216476  -1.21313610
 H   1.48480139   0.09892080   1.26113749
 H  -2.43181621   0.52212184  -0.53894170
 H  -0.37487904  -2.53915201  -2.24217418
Br   1.24871971  -3.77728242  -0.79831952
Al   0.75889292  -3.26661580   1.39336147
Br  -1.25370222  -1.82650065  -3.15446286
Br  -0.63053654  -4.69389830   2.51848883
Br   2.44879204  -2.25329209   2.56057756
 18
 Energy -13343.58114105 Gradient 0.00015887
 C  -0.99284167   2.09180924  -0.98644888
 C   1.17804572   1.88078433   0.06360502
 C   0.29342074   2.58417177  -0.75663144
 C   0.78584067   0.68439141   0.67319436
 C  -1.40597287   0.89094931  -0.40222010
 C  -0.49977986   0.22617498   0.41594237
Br  -1.13557638  -1.41820728   1.27907196
 H  -1.68603365   2.63416005  -1.63387575
 H   2.18716279   2.26023080   0.24222476
 H   0.60985311   3.52009093  -1.22306206
 H   1.46770378   0.13035513   1.32217426
 H  -2.40058391   0.48544365  -0.59301381
 H  -0.38506742  -2.53579367  -2.24641487
Br   1.24729665  -3.76167111  -0.80058347
Al   0.75905618  -3.26377813   1.39451662
Br  -1.26641606  -1.83470258  -3.16529100
Br  -0.62877467  -4.69761147   2.51358987
Br   2.44958271  -2.25716590   2.56690334
 18
 Energy -13343.58123837 Gradient 0.00015758
 C  -0.96436206   2.06658854  -1.01917684
 C   1.17763994   1.89250194   0.09542785
 C   0.30959039   2.57554632  -0.75916349
 C   0.78046031   0.70017021   0.70969055
 C  -1.38183737   0.86926413  -0.43069362
 C  -0.49266458   0.22517872   0.42191052
Br  -1.13421508  -1.41398302   1.29011217
 H  -1.64398630   2.59275213  -1.69373271
 H   2.17733482   2.28501277   0.29733768
 H   0.62972157   3.50851648  -1.22898173
 H   1.44926515   0.16017996   1.38361680
 H  -2.36591605   0.45014564  -0.64496843
 H  -0.39478523  -2.53309018  -2.25091057
Br   1.24569959  -3.74678401  -0.80292590
Al   0.75934438  -3.26180773   1.39564156
Br  -1.27938117  -1.84424402  -3.17607775
Br  -0.62676073  -4.70168316   2.50897055
Br   2.44926153  -2.25852793   2.57169473
 18
 Energy -13343.58139336 Gradient 0.00015509
 C  -0.93378395   2.04259643  -1.04944163
 C   1.17677603   1.90513829   0.12858589
 C   0.32682470   2.56813452  -0.75939192
 C   0.77389793   0.71664253   0.74635374
 C  -1.35627053   0.84855122  -0.45766636
 C  -0.48563617   0.22470168   0.42835663
Br  -1.13315575  -1.41006911   1.30024150
 H  -1.59871180   2.55274259  -1.75043613
 H   2.16626953   2.31048907   0.35390713
 H   0.65097618   3.49836232  -1.23190266
 H   1.42878172   0.19168126   1.44518328
 H  -2.32898563   0.41598427  -0.69559385
 H  -0.40481222  -2.53219093  -2.25583256
Br   1.24389897  -3.73226339  -0.80506164
Al   0.75869286  -3.25820346   1.39635617
Br  -1.29246856  -1.85508480  -3.18684226
Br  -0.62435032  -4.70557113   2.50428170
Br   2.44901507  -2.25955719   2.57601346
 18
 Energy -13343.58151176 Gradient 0.00015593
 C  -0.90284892   2.01951067  -1.07777748
 C   1.17439271   1.91878550   0.16177805
 C   0.34343814   2.56182245  -0.75834039
 C   0.76611132   0.73371112   0.78248383
 C  -1.33007453   0.82840768  -0.48332634
 C  -0.47877427   0.22466092   0.43477570
Br  -1.13231236  -1.40587380   1.30979551
 H  -1.55238964   2.51382898  -1.80405663
 H   2.15287056   2.33729757   0.41004069
 H   0.67154437   3.48953464  -1.23307156
 H   1.40639657   0.22318431   1.50501705
 H  -2.29066036   0.38226096  -0.74415379
 H  -0.41440590  -2.53212358  -2.26099458
Br   1.24207261  -3.71713316  -0.80724187
Al   0.75820255  -3.25399380   1.39699556
Br  -1.30561357  -1.86718090  -3.19760987
Br  -0.62205245  -4.70856634   2.49924356
Br   2.44953833  -2.26206711   2.58066515
 18
 Energy -13343.58163514 Gradient 0.00015548
 C  -0.86952497   1.99804610  -1.10285135
 C   1.17275980   1.93184726   0.19592585
 C   0.36194926   2.55618481  -0.75466378
 C   0.75837306   0.74993282   0.81847869
 C  -1.30231997   0.80988904  -0.50653551
 C  -0.47160264   0.22489710   0.44202495
Br  -1.13184402  -1.40164972   1.31876799
 H  -1.50280740   2.47735219  -1.85314462
 H   2.13986744   2.36268548   0.46653798
 H   0.69453877   3.48163940  -1.23069343
 H   1.38320185   0.25301223   1.56356457
 H  -2.25060595   0.35118614  -0.78954386
 H  -0.42472471  -2.53323426  -2.26621232
Br   1.24034299  -3.70188263  -0.80971204
Al   0.75794852  -3.25055880   1.39747956
Br  -1.31893770  -1.88039612  -3.20856696
Br  -0.62021008  -4.71139182   2.49420399
Br   2.44975634  -2.26395458   2.58478239
 18
 Energy -13343.58175093 Gradient 0.00015598
 C  -0.83470659   1.97781962  -1.12500082
 C   1.17129188   1.94511491   0.23056713
 C   0.38147471   2.55125848  -0.74906489
 C   0.75060709   0.76615802   0.85442987
 C  -1.27335263   0.79236057  -0.52738548
 C  -0.46373248   0.22564264   0.44998814
Br  -1.13131685  -1.39754699   1.32714967
 H  -1.45106723   2.44278466  -1.89806379
 H   2.12661361   2.38797812   0.52284528
 H   0.71878968   3.47444810  -1.22618147
 H   1.35938928   0.28233218   1.62099374
 H  -2.20890183   0.32142290  -0.83180297
 H  -0.43472617  -2.53563819  -2.27225217
Br   1.23858447  -3.68706037  -0.81214359
Al   0.75729914  -3.24660692   1.39773494
Br  -1.33244138  -1.89460085  -3.21965190
Br  -0.61837967  -4.71418493   2.48889020
Br   2.44952042  -2.26509417   2.58856619
 18
 Energy -13343.58187807 Gradient 0.00015370
 C  -0.79901307   1.95851525  -1.14491857
 C   1.16939544   1.95858609   0.26529862
 C   0.40120090   2.54705892  -0.74200577
 C   0.74236176   0.78234561   0.88983950
 C  -1.24355169   0.77559417  -0.54657542
 C  -0.45580755   0.22660853   0.45831166
Br  -1.13071351  -1.39342251   1.33520857
 H  -1.39795254   2.40937810  -1.93970541
 H   2.11236675   2.41328180   0.57863520
 H   0.74322027   3.46828576  -1.21957634
 H   1.33454337   0.31148378   1.67706867
 H  -2.16582435   0.29260630  -0.87181629
 H  -0.44538058  -2.53914543  -2.27829874
Br   1.23683442  -3.67247934  -0.81455363
Al   0.75678936  -3.24310417   1.39804840
Br  -1.34612835  -1.90972228  -3.23070083
Br  -0.61632999  -4.71685509   2.48327904
Br   2.44895236  -2.26551627   2.59201945
 18
 Energy -13343.58199643 Gradient 0.00015310
 C  -0.76200263   1.94023761  -1.16290295
 C   1.16707784   1.97215597   0.30040950
 C   0.42155691   2.54352681  -0.73345051
 C   0.73344604   0.79836105   0.92496769
 C  -1.21271335   0.75961829  -0.56450917
 C  -0.44781125   0.22776652   0.46685303
Br  -1.13031200  -1.38945502   1.34265590
 H  -1.34275705   2.37755783  -1.97849516
 H   2.09722193   2.43839464   0.63448004
 H   0.76852869   3.46288387  -1.21106820
 H   1.30834279   0.33997309   1.73200812
 H  -2.12122897   0.26483776  -0.91023304
 H  -0.45579722  -2.54387924  -2.28477246
Br   1.23529490  -3.65801655  -0.81695954
Al   0.75629270  -3.23947665   1.39823458
Br  -1.35993859  -1.92549200  -3.24146377
Br  -0.61443642  -4.71961328   2.47771209
Br   2.44832041  -2.26538213   2.59497113
 18
 Energy -13343.58211445 Gradient 0.00015274
 C  -0.72379168   1.92241856  -1.17942760
 C   1.16433508   1.98582996   0.33558650
 C   0.44230364   2.54039942  -0.72385480
 C   0.72398213   0.81431438   0.95959713
 C  -1.18077813   0.74393387  -0.58153694
 C  -0.43962919   0.22899276   0.47535376
Br  -1.12998293  -1.38549877   1.34954585
 H  -1.28561463   2.34625374  -2.01512545
 H   2.08098235   2.46354755   0.69005682
 H   0.79427879   3.45812935  -1.20094412
 H   1.28081719   0.36838117   1.78594189
 H  -2.07481500   0.23745574  -0.94752854
 H  -0.46628320  -2.54934355  -2.29125864
Br   1.23385071  -3.64379848  -0.81941616
Al   0.75586300  -3.23551150   1.39817919
Br  -1.37380111  -1.94168042  -3.25170331
Br  -0.61276193  -4.72247739   2.47211475
Br   2.44760313  -2.26478516   2.59762841
 18
 Energy -13343.5822357 Gradient 0.00015337
 C  -0.68416112   1.90516249  -1.19462804
 C   1.16117427   1.99956945   0.37067249
 C   0.46370223   2.53763626  -0.71343219
 C   0.71392793   0.83015510   0.99370386
 C  -1.14770092   0.72871805  -0.59766269
 C  -0.43128805   0.23030024   0.48388132
Br  -1.12978272  -1.38161135   1.35594802
 H  -1.22641956   2.31594878  -2.04956196
 H   2.06381459   2.48857868   0.74513915
 H   0.82086314   3.45374378  -1.18982311
 H   1.25209178   0.39640111   1.83857945
 H  -2.02673362   0.21078065  -0.98358744
 H  -0.47649196  -2.55608126  -2.29801156
Br   1.23240421  -3.62994759  -0.82185828
Al   0.75524585  -3.23170175   1.39806580
Br  -1.38773045  -1.95822755  -3.26137292
Br  -0.61091858  -4.72517474   2.46626771
Br   2.44658505  -2.26372827   2.60005330
 18
 Energy -13343.58235332 Gradient 0.00015383
 C  -0.64350025   1.88848632  -1.20810711
 C   1.15784010   2.01312783   0.40580892
 C   0.48558818   2.53514385  -0.70190390
 C   0.70349449   0.84575158   1.02743039
 C  -1.11366902   0.71395241  -0.61253106
 C  -0.42274880   0.23175545   0.49262818
Br  -1.12977254  -1.37781601   1.36169824
 H  -1.16546818   2.28635665  -2.08157246
 H   2.04590246   2.51325132   0.79988510
 H   0.84805680   3.44981249  -1.17702825
 H   1.22220984   0.42406481   1.89027340
 H  -1.97720489   0.18470700  -1.01774197
 H  -0.48703693  -2.56391186  -2.30476020
Br   1.23104765  -3.61638590  -0.82437766
Al   0.75454369  -3.22795424   1.39767811
Br  -1.40175121  -1.97506727  -3.27048133
Br  -0.60892034  -4.72781448   2.46036325
Br   2.44529047  -2.26218888   2.60213274
 18
 Energy -13343.58247586 Gradient 0.00015344
 C  -0.60135977   1.87241103  -1.22014919
 C   1.15403804   2.02662712   0.44115706
 C   0.50821941   2.53294046  -0.68931918
 C   0.69229334   0.86110157   1.06079975
 C  -1.07863512   0.69973560  -0.62649354
 C  -0.41422380   0.23318444   0.50137981
Br  -1.12996775  -1.37426112   1.36678121
 H  -1.10242986   2.25797090  -2.11122205
 H   2.02705845   2.53756180   0.85452741
 H   0.87627639   3.44616768  -1.16294913
 H   1.19085737   0.45111772   1.94090666
 H  -1.92635733   0.15974711  -1.05071943
 H  -0.49743137  -2.57259380  -2.31130685
Br   1.22989140  -3.60313691  -0.82704815
Al   0.75391313  -3.22412004   1.39710263
Br  -1.41582427  -1.99216223  -3.27891196
Br  -0.60697365  -4.73019620   2.45444024
Br   2.44375191  -2.26030708   2.60389075
 18
 Energy -13343.58259138 Gradient 0.00015249
 C  -0.55799489   1.85696532  -1.23074066
 C   1.15002805   2.03998863   0.47653472
 C   0.53141005   2.53107688  -0.67571991
 C   0.68060512   0.87623157   1.09363778
 C  -1.04253417   0.68599053  -0.63958524
 C  -0.40556843   0.23477516   0.51009397
Br  -1.13024588  -1.37078224   1.37107315
 H  -1.03727970   2.23030114  -2.13882588
 H   2.00735229   2.56157831   0.90893462
 H   0.90525089   3.44300869  -1.14729184
 H   1.15822017   0.47777360   1.99040124
 H  -1.87399815   0.13554321  -1.08234504
 H  -0.50791897  -2.58300633  -2.31813242
Br   1.22905055  -3.59034758  -0.82976724
Al   0.75338642  -3.22048481   1.39633517
Br  -1.42991316  -2.00955767  -3.28660386
Br  -0.60553105  -4.73213611   2.44846532
Br   2.44209029  -2.25814631   2.60539949
 18
 Energy -13343.58271332 Gradient 0.00015121
 C  -0.51357523   1.84196288  -1.24020961
 C   1.14549613   2.05349625   0.51154482
 C   0.55502354   2.52945693  -0.66156891
 C   0.66837713   0.89134015   1.12585534
 C  -1.00548537   0.67264195  -0.65185883
 C  -0.39673811   0.23653350   0.51873211
Br  -1.13063856  -1.36729672   1.37466670
 H  -0.97063726   2.20357003  -2.16438375
 H   1.98674993   2.58555734   0.96239974
 H   0.93467038   3.44014946  -1.13093777
 H   1.12444077   0.50419411   2.03857350
 H  -1.82018268   0.11156153  -1.11237459
 H  -0.51805911  -2.59349013  -2.32425817
Br   1.22818725  -3.57784930  -0.83243061
Al   0.75228824  -3.21635512   1.39542743
Br  -1.44392528  -2.02713789  -3.29346978
Br  -0.60382569  -4.73412919   2.44223783
Br   2.44016582  -2.25585576   2.60677309
 18
 Energy -13343.58283237 Gradient 0.00015042
 C  -0.46820088   1.82756808  -1.24828511
 C   1.14073810   2.06672562   0.54623960
 C   0.57901159   2.52814695  -0.64668794
 C   0.65565678   0.90613540   1.15719031
 C  -0.96769729   0.65975526  -0.66329406
 C  -0.38791390   0.23830569   0.52714123
Br  -1.13125116  -1.36387033   1.37767706
 H  -0.90241961   2.17758381  -2.18779683
 H   1.96533901   2.60902216   1.01522023
 H   0.96468686   3.43764815  -1.11341657
 H   1.08958790   0.53008041   2.08512943
 H  -1.76560363   0.08905400  -1.14130107
 H  -0.52835368  -2.60495402  -2.33003940
Br   1.22719516  -3.56544522  -0.83514468
Al   0.75156992  -3.21263327   1.39444505
Br  -1.45794641  -2.04488872  -3.29950063
Br  -0.60191658  -4.73637212   2.43583247
Br   2.43804966  -2.25298081   2.60788340
 18
 Energy -13343.58295055 Gradient 0.00014719
 C  -0.42197874   1.81365098  -1.25508391
 C   1.13564542   2.07965714   0.58048947
 C   0.60345183   2.52688395  -0.63119114
 C   0.64251236   0.92052857   1.18771740
 C  -0.92928205   0.64730732  -0.67381898
 C  -0.37903123   0.24002121   0.53541497
Br  -1.13201574  -1.36056268   1.38003672
 H  -0.83304121   2.15274981  -2.20893822
 H   1.94330149   2.63187757   1.06706054
 H   0.99517671   3.43532326  -1.09498631
 H   1.05374377   0.55515292   2.13008497
 H  -1.71017665   0.06716538  -1.16858845
 H  -0.53766206  -2.61826045  -2.33464364
Br   1.22583613  -3.55281295  -0.83849745
Al   0.75055788  -3.20871970   1.39309551
Br  -1.47130066  -2.06324377  -3.30372916
Br  -0.59999821  -4.73869266   2.42915009
Br   2.43566648  -2.24961368   2.60862456
 18
 Energy -13343.58304643 Gradient 0.00014401
 C  -0.37495856   1.80019260  -1.26064698
 C   1.13020765   2.09223786   0.61438737
 C   0.62814038   2.52578163  -0.61505074
 C   0.62870743   0.93452992   1.21735840
 C  -0.89023653   0.63518451  -0.68370308
 C  -0.37032104   0.24177380   0.54335410
Br  -1.13300200  -1.35739776   1.38156641
 H  -0.76214418   2.12842284  -2.22819049
 H   1.92048757   2.65412659   1.11810905
 H   1.02621824   3.43309971  -1.07558350
 H   1.01667069   0.57968839   2.17346036
 H  -1.65354889   0.04588213  -1.19512034
 H  -0.54793016  -2.63121677  -2.33838340
Br   1.22517019  -3.54041845  -0.84176660
Al   0.74987061  -3.20457713   1.39202579
Br  -1.48513000  -2.08137219  -3.30696217
Br  -0.59796334  -4.74127943   2.42149542
Br   2.43297973  -2.24594641   2.60982217
 18
 Energy -13343.58316455 Gradient 0.00014098
 C  -0.32704260   1.78726554  -1.26510657
 C   1.12420524   2.10470219   0.64796530
 C   0.65312827   2.52489988  -0.59825331
 C   0.61436380   0.94818102   1.24621866
 C  -0.85036205   0.62347703  -0.69287694
 C  -0.36141893   0.24336251   0.55099893
Br  -1.13401490  -1.35446098   1.38219223
 H  -0.69005151   2.10532525  -2.24535806
 H   1.89659580   2.67606651   1.16849861
 H   1.05742988   3.43136545  -1.05506027
 H   0.97848442   0.60352391   2.21527900
 H  -1.59625768   0.02545083  -1.21989483
 H  -0.55857160  -2.64401106  -2.34258189
Br   1.22594184  -3.52877169  -0.84411093
Al   0.74934596  -3.20113970   1.39027448
Br  -1.50007307  -2.09905992  -3.30990899
Br  -0.59622463  -4.74370894   2.41386425
Br   2.43007404  -2.24176375   2.61072942
 18
 Energy -13343.58327797 Gradient 0.00013383
 C  -0.27838584   1.77454480  -1.26856314
 C   1.11764578   2.11731157   0.68087114
 C   0.67830492   2.52414506  -0.58120581
 C   0.59924020   0.96207153   1.27425229
 C  -0.80994375   0.61204324  -0.70132574
 C  -0.35282764   0.24544244   0.55854260
Br  -1.13512520  -1.35165138   1.38193430
 H  -0.61646217   2.08215662  -2.26099189
 H   1.87174348   2.69801697   1.21760391
 H   1.08923205   3.42951835  -1.03424531
 H   0.93896818   0.62766300   2.25563722
 H  -1.53774772   0.00517748  -1.24365666
 H  -0.56830435  -2.66066749  -2.34781017
Br   1.22723452  -3.51752688  -0.84690817
Al   0.74830741  -3.19705008   1.38828736
Br  -1.51491617  -2.11711558  -3.31111101
Br  -0.59453241  -4.74567535   2.40634875
Br   2.42686883  -2.23754995   2.61114786
 18
 Energy -13343.58336599 Gradient 0.00012750
 C  -0.22900733   1.76269873  -1.27099994
 C   1.11069915   2.12963875   0.71332045
 C   0.70361048   2.52383371  -0.56351469
 C   0.58379342   0.97537134   1.30102830
 C  -0.76865377   0.60108617  -0.70952235
 C  -0.34377980   0.24700723   0.56517510
Br  -1.13648886  -1.34881999   1.38043877
 H  -0.54205351   2.06091960  -2.27446050
 H   1.84587674   2.71952005   1.26605602
 H   1.12079525   3.42855751  -1.01212155
 H   0.89846281   0.65075131   2.29395201
 H  -1.47858709  -0.01380799  -1.26655471
 H  -0.57841889  -2.67708235  -2.35058555
Br   1.22876787  -3.50665076  -0.85003010
Al   0.74765437  -3.19318371   1.38611377
Br  -1.52973892  -2.13508503  -3.31030852
Br  -0.59307491  -4.74747072   2.39824637
Br   2.42355032  -2.23326838   2.61183051
 18
 Energy -13343.58346429 Gradient 0.00012188
 C  -0.17909113   1.75166886  -1.27230575
 C   1.10431904   2.14127858   0.74467895
 C   0.72970762   2.52353590  -0.54563683
 C   0.56852951   0.98804054   1.32628055
 C  -0.72739824   0.59112484  -0.71699233
 C  -0.33494275   0.24901876   0.57123878
Br  -1.13795906  -1.34604112   1.37759150
 H  -0.46671324   2.04069792  -2.28602200
 H   1.82083106   2.73959967   1.31262965
 H   1.15374405   3.42736851  -0.98959417
 H   0.85808163   0.67255591   2.32970379
 H  -1.41963059  -0.03099065  -1.28845895
 H  -0.58763797  -2.69279127  -2.35180710
Br   1.23102917  -3.49607777  -0.85305122
Al   0.74693538  -3.18902221   1.38369812
Br  -1.54445417  -2.15300769  -3.30753736
Br  -0.59201422  -4.74922873   2.38902126
Br   2.41959300  -2.22896884   2.61316864
 18
 Energy -13343.58354622 Gradient 0.00011498
 C  -0.12939190   1.74184101  -1.27255413
 C   1.09820090   2.15223716   0.77482814
 C   0.75598242   2.52347831  -0.52763139
 C   0.55342796   0.99997797   1.34999825
 C  -0.68640851   0.58233935  -0.72375245
 C  -0.32607966   0.25098761   0.57668383
Br  -1.13938738  -1.34337700   1.37355018
 H  -0.39198623   2.02268436  -2.29533612
 H   1.79622842   2.75836750   1.35733596
 H   1.18684292   3.42652517  -0.96659557
 H   0.81801058   0.69312403   2.36290215
 H  -1.36143930  -0.04669158  -1.30816433
 H  -0.59680744  -2.70977063  -2.35170130
Br   1.23403015  -3.48511877  -0.85635161
Al   0.74629387  -3.18553940   1.38096119
Br  -1.55917037  -2.17111561  -3.30267960
Br  -0.59124645  -4.75112849   2.37939927
Br   2.41510484  -2.22456103   2.61460008
 18
 Energy -13343.58362799 Gradient 0.00010609
 C  -0.08036060   1.73300145  -1.27164824
 C   1.09281955   2.16245717   0.80365269
 C   0.78213593   2.52364068  -0.50949029
 C   0.53926772   1.01100797   1.37191496
 C  -0.64589716   0.57429634  -0.72984712
 C  -0.31693806   0.25305613   0.58135011
Br  -1.14079010  -1.34075388   1.36827913
 H  -0.31842734   2.00636513  -2.30244061
 H   1.77281755   2.77575041   1.39981293
 H   1.21978840   3.42597550  -0.94316980
 H   0.77940455   0.71159969   2.39309969
 H  -1.30436151  -0.06089097  -1.32678456
 H  -0.60549802  -2.72719474  -2.35039644
Br   1.23793889  -3.47419910  -0.85974982
Al   0.74543925  -3.18202067   1.37776548
Br  -1.57430929  -2.18941541  -3.29551741
Br  -0.59065498  -4.75294927   2.36957555
Br   2.41024155  -2.22002829   2.61571355
 18
 Energy -13343.58370185 Gradient 0.00009684
 C  -0.03267553   1.72537445  -1.27032582
 C   1.08839034   2.17162291   0.83010132
 C   0.80807831   2.52388295  -0.49226249
 C   0.52613146   1.02097858   1.39138382
 C  -0.60673478   0.56753426  -0.73559332
 C  -0.30792325   0.25509343   0.58491465
Br  -1.14212624  -1.33810724   1.36179921
 H  -0.24728097   1.99225510  -2.30794877
 H   1.75127116   2.79117857   1.43891723
 H   1.25230529   3.42558662  -0.92054281
 H   0.74286519   0.72832502   2.41972135
 H  -1.24974995  -0.07280116  -1.34394170
 H  -0.61375938  -2.74399500  -2.34693499
Br   1.24303435  -3.46388682  -0.86299849
Al   0.74465355  -3.17795061   1.37434543
Br  -1.58973767  -2.20765136  -3.28570511
Br  -0.59051199  -4.75442328   2.35841896
Br   2.40501204  -2.21559603   2.61760175
 18
 Energy -13343.58375388 Gradient 0.00008799
 C   0.01335225   1.71967672  -1.26825945
 C   1.08643227   2.17862779   0.85440472
 C   0.83485778   2.52387743  -0.47555282
 C   0.51498855   1.02895082   1.40827346
 C  -0.56998780   0.56317018  -0.74077687
 C  -0.29931360   0.25720404   0.58726390
Br  -1.14374257  -1.33548459   1.35369869
 H  -0.17912533   1.98133459  -2.31154406
 H   1.73403718   2.80276127   1.47487351
 H   1.28646976   3.42459631  -0.89813347
 H   0.70987833   0.74160273   2.44244402
 H  -1.19933236  -0.08072063  -1.35980878
 H  -0.62111863  -2.76085510  -2.34193438
Br   1.24960934  -3.45397349  -0.86618253
Al   0.74388362  -3.17416215   1.37069475
Br  -1.60512937  -2.22534897  -3.27298312
Br  -0.59114081  -4.75585273   2.34626743
Br   2.39914656  -2.21121672   2.62002544
 18
 Energy -13343.5838184 Gradient 0.00008065
 C   0.05662876   1.71515231  -1.26557908
 C   1.08546384   2.18479773   0.87663432
 C   0.86022514   2.52418564  -0.45952937
 C   0.50544837   1.03591123   1.42317746
 C  -0.53478528   0.55918087  -0.74579786
 C  -0.29031351   0.25928383   0.58876533
Br  -1.14503855  -1.33306034   1.34434984
 H  -0.11546609   1.97281412  -2.31341103
 H   1.71894536   2.81282373   1.50767100
 H   1.31823372   3.42432100  -0.87644507
 H   0.67991788   0.75290328   2.46218908
 H  -1.15137324  -0.08799689  -1.37427184
 H  -0.62761320  -2.77614094  -2.33448773
Br   1.25754605  -3.44408669  -0.86934550
Al   0.74349659  -3.17089830   1.36658045
Br  -1.62067523  -2.24263982  -3.25726867
Br  -0.59244715  -4.75726019   2.33301236
Br   2.39275645  -2.20688285   2.62269473
 18
 Energy -13343.58388233 Gradient 0.00007168
 C   0.09656373   1.71176952  -1.26365007
 C   1.08441129   2.19078528   0.89574364
 C   0.88348020   2.52511563  -0.44553964
 C   0.49677251   1.04241966   1.43508569
 C  -0.50221055   0.55630950  -0.75120793
 C  -0.28184927   0.26142401   0.58864571
Br  -1.14567266  -1.33070707   1.33406488
 H  -0.05671902   1.96585356  -2.31527189
 H   1.70463606   2.82229771   1.53637405
 H   1.34740484   3.42477020  -0.85690542
 H   0.65226095   0.76310439   2.47807954
 H  -1.10706388  -0.09361774  -1.38831903
 H  -0.63322499  -2.79064227  -2.32542851
Br   1.26653355  -3.43428274  -0.87266447
Al   0.74353283  -3.16738897   1.36213022
Br  -1.63645469  -2.25970489  -3.23887588
Br  -0.59381017  -4.75850645   2.31865962
Br   2.38608275  -2.20325563   2.62675243
 18
 Energy -13343.58392783 Gradient 0.00006529
 C   0.13251108   1.71050507  -1.26209301
 C   1.08606488   2.19457880   0.91160500
 C   0.90605214   2.52597692  -0.43338192
 C   0.49095119   1.04676642   1.44386396
 C  -0.47361905   0.55568462  -0.75681532
 C  -0.27381172   0.26357197   0.58689053
Br  -1.14643624  -1.32835758   1.32230648
 H  -0.00469836   1.96274028  -2.31638566
 H   1.69572365   2.82783114   1.56061887
 H   1.37571922   3.42513966  -0.83927315
 H   0.63034244   0.76945839   2.48967953
 H  -1.06928814  -0.09539700  -1.40144839
 H  -0.63773046  -2.80359017  -2.31487952
Br   1.27686713  -3.42419565  -0.87557202
Al   0.74356171  -3.16366285   1.35777796
Br  -1.65218133  -2.27641280  -3.21832396
Br  -0.59541788  -4.75966389   2.30353351
Br   2.37894611  -2.20043754   2.63213229
 18
 Energy -13343.58397059 Gradient 0.00005968
 C   0.16426208   1.71065942  -1.26067144
 C   1.08917294   2.19734995   0.92479398
 C   0.92685033   2.52713087  -0.42281021
 C   0.48734264   1.04998618   1.45038392
 C  -0.44834658   0.55630153  -0.76218009
 C  -0.26603084   0.26574336   0.58434221
Br  -1.14674761  -1.32611103   1.31005388
 H   0.04076301   1.96190025  -2.31688875
 H   1.69007456   2.83147252   1.58107249
 H   1.40175025   3.42586797  -0.82352987
 H   0.61304818   0.77384093   2.49822682
 H  -1.03626322  -0.09542663  -1.41332980
 H  -0.64117495  -2.81504436  -2.30330272
Br   1.28863719  -3.41426615  -0.87817132
Al   0.74392599  -3.16051809   1.35331236
Br  -1.66756803  -2.29255132  -3.19610272
Br  -0.59780933  -4.76090415   2.28745326
Br   2.37120304  -2.19779825   2.63819160
 18
 Energy -13343.58401201 Gradient 0.00005482
 C   0.19170571   1.71173125  -1.26011895
 C   1.09313788   2.19968494   0.93491319
 C   0.94550400   2.52851292  -0.41462706
 C   0.48552944   1.05273222   1.45471446
 C  -0.42659097   0.55787640  -0.76748089
 C  -0.25865386   0.26810142   0.58111274
Br  -1.14643371  -1.32364697   1.29824480
 H   0.07944871   1.96258803  -2.31768503
 H   1.68705782   2.83414558   1.59719864
 H   1.42488312   3.42687524  -0.81082483
 H   0.59995870   0.77716629   2.50399594
 H  -1.00867355  -0.09386877  -1.42389504
 H  -0.64331540  -2.82533614  -2.29091324
Br   1.30140954  -3.40421354  -0.88073266
Al   0.74444788  -3.15754332   1.34868966
Br  -1.68243758  -2.30831646  -3.17233815
Br  -0.60090706  -4.76217798   2.27001385
Br   2.36323060  -2.19602346   2.64513394
 18
 Energy -13343.58404855 Gradient 0.00004960
 C   0.21529884   1.71326370  -1.26053660
 C   1.09874241   2.20123510   0.94180298
 C   0.96268505   2.52971279  -0.40901798
 C   0.48592876   1.05489668   1.45679190
 C  -0.40799774   0.56001208  -0.77280566
 C  -0.25152035   0.27056810   0.57723779
Br  -1.14571350  -1.32068697   1.28733948
 H   0.11201706   1.96403794  -2.31903856
 H   1.68753323   2.83547866   1.60885241
 H   1.44608566   3.42756508  -0.80147651
 H   0.59132078   0.77955419   2.50707692
 H  -0.98564355  -0.09148129  -1.43342635
 H  -0.64450585  -2.83473307  -2.27797126
Br   1.31493037  -3.39329962  -0.88325651
Al   0.74472046  -3.15472482   1.34372840
Br  -1.69686298  -2.32388110  -3.14742939
Br  -0.60453182  -4.76346392   2.25180319
Br   2.35506039  -2.19567587   2.65247342
 18
 Energy -13343.58408474 Gradient 0.00004490
 C   0.23604296   1.71486884  -1.26225906
 C   1.10522847   2.20217737   0.94594422
 C   0.97869624   2.53052738  -0.40583850
 C   0.48769146   1.05659149   1.45696281
 C  -0.39188171   0.56241895  -0.77855795
 C  -0.24468107   0.27298484   0.57255422
Br  -1.14474298  -1.31759442   1.27663339
 H   0.14005976   1.96582172  -2.32140504
 H   1.69023363   2.83587001   1.61683825
 H   1.46575557   3.42775575  -0.79518335
 H   0.58570859   0.78123333   2.50795096
 H  -0.96647590  -0.08848081  -1.44246945
 H  -0.64542681  -2.84377001  -2.26492798
Br   1.32842976  -3.38203174  -0.88543195
Al   0.74522971  -3.15138014   1.33923559
Br  -1.71111401  -2.33933390  -3.12203429
Br  -0.60829403  -4.76454806   2.23294731
Br   2.34729087  -2.19611988   2.66084680
 18
 Energy -13343.58411385 Gradient 0.00004022
 C   0.25266231   1.71579612  -1.26592693
 C   1.11182556   2.20288288   0.94626224
 C   0.99225739   2.53082618  -0.40624466
 C   0.49036238   1.05828099   1.45467455
 C  -0.37905560   0.56429044  -0.78488802
 C  -0.23870605   0.27524373   0.56702346
Br  -1.14324021  -1.31435461   1.26745220
 H   0.16209050   1.96657049  -2.32559090
 H   1.69435932   2.83611575   1.61973824
 H   1.48236717   3.42725502  -0.79360195
 H   0.58291410   0.78317344   2.50622872
 H  -0.95159187  -0.08628800  -1.45093298
 H  -0.64602991  -2.85177064  -2.25193985
Br   1.34197245  -3.36890974  -0.88715621
Al   0.74618661  -3.14814372   1.33527729
Br  -1.72495613  -2.35486045  -3.09698888
Br  -0.61190005  -4.76597336   2.21317287
Br   2.33981614  -2.19777200   2.67051776
 18
 Energy -13343.58414508 Gradient 0.00003713
 C   0.26330450   1.71401434  -1.27255106
 C   1.12062918   2.20297854   0.94001709
 C   1.00322469   2.52905836  -0.41312790
 C   0.49666580   1.06010402   1.44926104
 C  -0.37095824   0.56416980  -0.79085208
 C  -0.23252217   0.27719783   0.56168101
Br  -1.14063140  -1.31037207   1.26227336
 H   0.17436329   1.96373292  -2.33260838
 H   1.70337185   2.83625199   1.61327170
 H   1.49521769   3.42413365  -0.80123202
 H   0.58745039   0.78615281   2.50127175
 H  -0.94431815  -0.08600140  -1.45648915
 H  -0.64730966  -2.85906113  -2.24011403
Br   1.35567821  -3.35328696  -0.88872499
Al   0.74744128  -3.14507343   1.33153770
Br  -1.73936193  -2.37081339  -3.07338750
Br  -0.61532330  -4.76774118   2.19299621
Br   2.33257669  -2.20061143   2.68091805
 18
 Energy -13343.58416627 Gradient 0.00003098
 C   0.27060400   1.71512697  -1.27883706
 C   1.13614218   2.19865224   0.93170698
 C   1.01658646   2.52620574  -0.42088563
 C   0.50864652   1.05814863   1.44199376
 C  -0.36725030   0.56785640  -0.79588881
 C  -0.22639597   0.27886664   0.55603134
Br  -1.13867275  -1.30577964   1.25731403
 H   0.17960913   1.96601572  -2.33843982
 H   1.72342272   2.82894518   1.60382054
 H   1.51149908   3.41937558  -0.80966035
 H   0.60129672   0.78319683   2.49358040
 H  -0.94661154  -0.07920657  -1.45943548
 H  -0.64835492  -2.86443228  -2.22770108
Br   1.36802698  -3.33713140  -0.89018605
Al   0.74832789  -3.14187928   1.32799324
Br  -1.75350912  -2.38688995  -3.04994516
Br  -0.61876536  -4.76912796   2.17353196
Br   2.32607277  -2.20443820   2.69098137
 18
 Energy -13343.58418798 Gradient 0.00002984
 C   0.27861487   1.71310410  -1.28715239
 C   1.14663156   2.19841606   0.92212933
 C   1.02680812   2.52399234  -0.43091606
 C   0.51675906   1.06022632   1.43467247
 C  -0.36145286   0.56787558  -0.80221662
 C  -0.22037063   0.28132369   0.55019470
Br  -1.13591325  -1.30071672   1.25350488
 H   0.18794104   1.96247332  -2.34714670
 H   1.73588027   2.82843504   1.59277278
 H   1.52346926   3.41539290  -0.82151910
 H   0.60934026   0.78663302   2.48663688
 H  -0.94078608  -0.08031442  -1.46467716
 H  -0.64952475  -2.87184414  -2.21526048
Br   1.37950134  -3.32143195  -0.89152475
Al   0.74904047  -3.13829452   1.32475560
Br  -1.76703948  -2.40337272  -3.02614053
Br  -0.62232528  -4.77002956   2.15441064
Br   2.32070631  -2.20888669   2.70016203
 18
 Energy -13343.58420556 Gradient 0.00002513
 C   0.28898406   1.71039199  -1.29646009
 C   1.15336239   2.19981726   0.91325140
 C   1.03644503   2.52248263  -0.44074327
 C   0.52137772   1.06345226   1.42726503
 C  -0.35309816   0.56704025  -0.80985997
 C  -0.21514436   0.28310814   0.54346031
Br  -1.13313893  -1.29617667   1.24898641
 H   0.20040908   1.95736406  -2.35718684
 H   1.74199747   2.83076047   1.58356244
 H   1.53476887   3.41248191  -0.83242158
 H   0.61178485   0.79230837   2.48004909
 H  -0.93237202  -0.08196514  -1.47161823
 H  -0.65120379  -2.88040715  -2.20353945
Br   1.39142837  -3.30552084  -0.89281860
Al   0.75095025  -3.13518840   1.32159086
Br  -1.78081445  -2.42139732  -3.00304011
Br  -0.62524408  -4.77037087   2.13605250
Br   2.31471384  -2.21210925   2.71029422
 18
 Energy -13343.58421883 Gradient 0.00002123
 C   0.29761824   1.71094200  -1.30291763
 C   1.16479955   2.19766430   0.90633131
 C   1.04812064   2.52067423  -0.44760183
 C   0.52953992   1.06330248   1.42076408
 C  -0.34768352   0.56958058  -0.81591363
 C  -0.20985616   0.28524381   0.53737339
Br  -1.13174838  -1.29172909   1.24290714
 H   0.20922039   1.95825198  -2.36357712
 H   1.75582312   2.82676227   1.57628157
 H   1.54901821   3.40909880  -0.83957379
 H   0.61975447   0.79184397   2.47348444
 H  -0.92929326  -0.07793056  -1.47708353
 H  -0.65108598  -2.88733562  -2.19212831
Br   1.40401186  -3.28916320  -0.89322975
Al   0.75145886  -3.13101972   1.31859712
Br  -1.79282440  -2.43919994  -2.98058563
Br  -0.62822540  -4.77142250   2.11632487
Br   2.30724753  -2.21552921   2.72126678
 18
 Energy -13343.5842782 Gradient 0.00001784
 C   0.30886200   1.70955105  -1.31061706
 C   1.18770531   2.18790526   0.89590656
 C   1.06740572   2.51363372  -0.45705760
 C   0.54768347   1.05664467   1.41133498
 C  -0.34141325   0.57141236  -0.82269012
 C  -0.19984031   0.28452036   0.52966871
Br  -1.13118347  -1.28628062   1.23753361
 H   0.21790471   1.95892065  -2.37057142
 H   1.78520857   2.81245336   1.56437038
 H   1.57190292   3.39970747  -0.84973295
 H   0.64075292   0.78278705   2.46319611
 H  -0.92935646  -0.07190722  -1.48233486
 H  -0.64992843  -2.89090037  -2.18138160
Br   1.41373636  -3.27268484  -0.89212073
Al   0.74843880  -3.12606945   1.31687501
Br  -1.80229783  -2.45401730  -2.96082840
Br  -0.63355333  -4.77209301   2.09867190
Br   2.29837191  -2.21967271   2.73227761
 18
 Energy -13343.58424109 Gradient 0.00001825
 C   0.31845399   1.70534753  -1.32053077
 C   1.20101420   2.18670424   0.88383090
 C   1.08122092   2.50872560  -0.47005308
 C   0.55653532   1.05979441   1.40319192
 C  -0.33595449   0.57132597  -0.82862201
 C  -0.19483200   0.28790811   0.52454799
Br  -1.12801430  -1.27977155   1.23559076
 H   0.22771740   1.95186237  -2.38117920
 H   1.80167439   2.81075826   1.54991587
 H   1.58936318   3.39131926  -0.86585856
 H   0.64907839   0.78901313   2.45589341
 H  -0.92671156  -0.07200189  -1.48572158
 H  -0.64972181  -2.89619831  -2.17264137
Br   1.42380004  -3.25833376  -0.89194718
Al   0.74904348  -3.12517002   1.31476511
Br  -1.81072773  -2.46786545  -2.94389348
Br  -0.64028972  -4.77182413   2.08150865
Br   2.29087643  -2.22646556   2.74378603
