 20
 Energy -18491.19890865 Gradient 0.00001020
 C  -2.19605231  -1.56174238   2.51454912
 C  -2.56475270   0.40956909   1.13043122
 C  -2.84131565  -0.34293048   2.28219131
 C  -1.64575479  -0.05755292   0.20003155
 C  -1.27313713  -2.04251685   1.58875661
 C  -0.98521912  -1.29075656   0.42168038
 H  -2.41792204  -2.13680976   3.41632131
 H  -3.07619798   1.36045590   0.96446046
 H  -3.56857761   0.03004945   3.00839919
 H  -1.42824542   0.50195632  -0.71290163
 H  -0.77308650  -3.00078091   1.74721962
 H  -0.37927686  -1.72357134  -0.37895005
Br   1.20716472  -0.38841628   1.43843132
Al   4.09887764   1.91735365   0.07982478
Br   4.28605174   0.39907947  -1.69076319
Br   1.51156676   0.06203128  -2.74703759
Br  -0.70527783  -0.29957495  -3.64707598
Br   3.47224733   0.51256137   2.08556575
Br   2.48533995   3.50639006  -0.16733495
Br   6.14118313   2.49545333   0.96930450
 20
 Energy -18491.19890883 Gradient 0.00001553
 C  -2.18792262  -1.55716808   2.50741481
 C  -2.55528371   0.40959629   1.11645231
 C  -2.83439262  -0.34024071   2.26952131
 C  -1.63240148  -0.05829191   0.19042377
 C  -1.26106379  -2.03895916   1.58586115
 C  -0.97056717  -1.28974065   0.41767820
 H  -2.41175561  -2.13018292   3.41000136
 H  -3.06795935   1.35906186   0.94616319
 H  -3.56473085   0.03348377   2.99224105
 H  -1.41299253   0.49927700  -0.72320851
 H  -0.76024107  -2.99614965   1.74829931
 H  -0.36089532  -1.72352339  -0.37958766
Br   1.21643212  -0.38971336   1.44633193
Al   4.09517206   1.91432420   0.08327049
Br   4.27861836   0.38471516  -1.67787211
Br   1.50745890   0.06108638  -2.74852568
Br  -0.70558744  -0.28808867  -3.66249684
Br   3.47813067   0.51692568   2.09781872
Br   2.47434387   3.49584673  -0.16537263
Br   6.13949667   2.50596011   0.95832169
 20
 Energy -18491.19890181 Gradient 0.00001924
 C  -2.18238959  -1.55002540   2.49703886
 C  -2.54212967   0.41670930   1.10400201
 C  -2.82668035  -0.33264452   2.25618609
 C  -1.61597056  -0.05210529   0.18191263
 C  -1.25220984  -2.03289833   1.57930787
 C  -0.95608843  -1.28417791   0.41210149
 H  -2.41040877  -2.12266453   3.39880826
 H  -3.05326937   1.36658592   0.93143400
 H  -3.55964540   0.04202359   2.97576144
 H  -1.39226574   0.50517780  -0.73085166
 H  -0.75314601  -2.99064175   1.74388196
 H  -0.34379534  -1.71880200  -0.38269608
Br   1.22594768  -0.39042242   1.45237384
Al   4.09170770   1.91028540   0.08800435
Br   4.27005079   0.37166521  -1.66626464
Br   1.50297399   0.06023000  -2.75039031
Br  -0.70697853  -0.27742110  -3.67637245
Br   3.48578017   0.51800435   2.10955176
Br   2.46275824   3.48399244  -0.15902415
Br   6.13864135   2.51552613   0.94608516
 20
 Energy -18491.19889021 Gradient 0.00002346
 C  -2.17383743  -1.54237238   2.48303223
 C  -2.53158289   0.42641009   1.09236537
 C  -2.81865535  -0.32550254   2.24257784
 C  -1.60236036  -0.03936137   0.17212873
 C  -1.24047213  -2.02257871   1.56676714
 C  -0.94181378  -1.27120150   0.40175081
 H  -2.40370661  -2.11707417   3.38300542
 H  -3.04347412   1.37596547   0.92018693
 H  -3.55415810   0.04708155   2.96063779
 H  -1.37667857   0.52009562  -0.73877815
 H  -0.74139829  -2.98045941   1.73046898
 H  -0.32672313  -1.70348412  -0.39216003
Br   1.23551820  -0.39103283   1.45998232
Al   4.08804142   1.90576682   0.09327411
Br   4.26132948   0.35878355  -1.65458949
Br   1.49833766   0.05903210  -2.75157232
Br  -0.70761526  -0.26798777  -3.69101258
Br   3.49439964   0.51772442   2.12195847
Br   2.44973974   3.47043771  -0.15120434
Br   6.13772057   2.52618631   0.93246340
 20
 Energy -18491.19887734 Gradient 0.00003428
 C  -2.16678229  -1.53740404   2.46508328
 C  -2.52006822   0.43933090   1.08451354
 C  -2.81055777  -0.31919747   2.22975900
 C  -1.58845604  -0.02116755   0.16426058
 C  -1.23083805  -2.01256558   1.54853865
 C  -0.92882285  -1.25448524   0.38858644
 H  -2.39925654  -2.11729261   3.36104729
 H  -3.03142793   1.38990568   0.91642988
 H  -3.54804997   0.04947984   2.94778995
 H  -1.35996255   0.54362699  -0.74260431
 H  -0.73284999  -2.97176632   1.70776312
 H  -0.31153892  -1.68222636  -0.40608466
Br   1.24413432  -0.39002595   1.46497659
Al   4.08482629   1.90097554   0.09886471
Br   4.25308229   0.34637542  -1.64325423
Br   1.49410981   0.05748605  -2.75217312
Br  -0.70850421  -0.25948267  -3.70313419
Br   3.50251517   0.51647895   2.13351610
Br   2.43768306   3.45714320  -0.14278046
Br   6.13709411   2.53540793   0.91981484
 20
 Energy -18491.19884736 Gradient 0.00004210
 C  -2.16245015  -1.53567010   2.44284159
 C  -2.50599054   0.45520247   1.08004364
 C  -2.80289440  -0.31404491   2.21656936
 C  -1.57142024   0.00191180   0.15938301
 C  -1.22349331  -2.00375546   1.52569658
 C  -0.91508220  -1.23498814   0.37437702
 H  -2.39987689  -2.12377428   3.33211381
 H  -3.01478118   1.40839688   0.91915390
 H  -3.54282690   0.04902380   2.93495206
 H  -1.33771302   0.57521235  -0.74074057
 H  -0.72811761  -2.96549927   1.67750283
 H  -0.29618683  -1.65626106  -0.42253867
Br   1.25292852  -0.38716109   1.46665793
Al   4.08135854   1.89630051   0.10447326
Br   4.24510412   0.33353699  -1.63140840
Br   1.49045615   0.05506529  -2.75186284
Br  -0.70933659  -0.25181349  -3.71307449
Br   3.51093120   0.51493012   2.14523529
Br   2.42441803   3.44300882  -0.13336716
Br   6.13622549   2.54517801   0.90638188
 20
 Energy -18491.19881815 Gradient 0.00005137
 C  -2.16129816  -1.53442328   2.41835775
 C  -2.49240886   0.47121990   1.07406990
 C  -2.79773863  -0.30912624   2.20080429
 C  -1.55348020   0.02538032   0.15435230
 C  -1.21794490  -1.99517411   1.50203213
 C  -0.90105093  -1.21531461   0.36038324
 H  -2.40534396  -2.13109067   3.30010473
 H  -2.99817460   1.42715514   0.92011067
 H  -3.54116519   0.04816724   2.91847351
 H  -1.31297646   0.60748859  -0.73824540
 H  -0.72565987  -2.95959984   1.64672270
 H  -0.27961994  -1.63017712  -0.43794463
Br   1.26111658  -0.38370944   1.46869440
Al   4.07830666   1.89168464   0.10975998
Br   4.23838828   0.32143575  -1.62043981
Br   1.48770786   0.05234603  -2.75063151
Br  -0.71007902  -0.24534939  -3.71980591
Br   3.51965347   0.51280854   2.15613334
Br   2.41053368   3.42771251  -0.12418396
Br   6.13499775   2.55688509   0.89167266
 20
 Energy -18491.1987817 Gradient 0.00006387
 C  -2.16466079  -1.53495813   2.38994070
 C  -2.47715067   0.48844604   1.06763933
 C  -2.79474588  -0.30455201   2.18202409
 C  -1.53255468   0.05002232   0.15023712
 C  -1.21567145  -1.98825656   1.47595980
 C  -0.88656225  -1.19593677   0.34633084
 H  -2.41827158  -2.14119912   3.26240097
 H  -2.97778322   1.44826743   0.92135743
 H  -3.54273021   0.04677682   2.89791173
 H  -1.28213264   0.64210264  -0.73296887
 H  -0.72807896  -2.95618159   1.61294612
 H  -0.26210492  -1.60405648  -0.45316519
Br   1.26877785  -0.37955316   1.46936670
Al   4.07537242   1.88685566   0.11510608
Br   4.23234298   0.30956669  -1.60979286
Br   1.48546317   0.04943507  -2.74813132
Br  -0.71115417  -0.23903129  -3.72348682
Br   3.52820253   0.51035978   2.16666460
Br   2.39736834   3.41272260  -0.11561632
Br   6.13366459   2.56835952   0.87677528
 20
 Energy -18491.1987333 Gradient 0.00007823
 C  -2.17181537  -1.53687563   2.35855432
 C  -2.46139429   0.50538060   1.05979937
 C  -2.79408897  -0.30063108   2.16016284
 C  -1.50963140   0.07406661   0.14637737
 C  -1.21587547  -1.98295968   1.44868639
 C  -0.87159242  -1.17782076   0.33259741
 H  -2.43734090  -2.15296482   3.22051435
 H  -2.95570173   1.46957837   0.92108950
 H  -3.54768785   0.04486669   2.87300294
 H  -1.24707213   0.67648512  -0.72619340
 H  -0.73402161  -2.95479441   1.57818007
 H  -0.24366860  -1.57960602  -0.46744949
Br   1.27581915  -0.37489650   1.46876867
Al   4.07231919   1.88203078   0.12041573
Br   4.22700419   0.29832223  -1.59977168
Br   1.48383380   0.04645178  -2.74442635
Br  -0.71255040  -0.23305484  -3.72389685
Br   3.53673136   0.50753198   2.17660104
Br   2.38475906   3.39837028  -0.10700018
Br   6.13239078   2.57982155   0.86119654
 20
 Energy -18491.19867967 Gradient 0.00009283
 C  -2.18246806  -1.53988631   2.32484379
 C  -2.44600725   0.52108803   1.04985361
 C  -2.79616974  -0.29763043   2.13503375
 C  -1.48573250   0.09634302   0.14223362
 C  -1.21811605  -1.97917138   1.42110678
 C  -0.85642026  -1.16164443   0.31954395
 H  -2.46175652  -2.16553106   3.17550142
 H  -2.93328407   1.48978894   0.91797635
 H  -3.55662164   0.04231917   2.84325596
 H  -1.20922202   0.70870382  -0.71898278
 H  -0.74250232  -2.95493198   1.54389442
 H  -0.22441005  -1.55770152  -0.48018959
Br   1.28229213  -0.36972177   1.46773913
Al   4.06988648   1.87745000   0.12535124
Br   4.22251321   0.28802857  -1.59073993
Br   1.48286800   0.04363594  -2.74000840
Br  -0.71431110  -0.22748607  -3.72122159
Br   3.54513707   0.50448925   2.18580160
Br   2.37262262   3.38416406  -0.09797999
Br   6.13121253   2.59143818   0.84496372
 20
 Energy -18491.19861665 Gradient 0.00011240
 C  -2.19629830  -1.54396168   2.28832083
 C  -2.43116875   0.53585367   1.03804940
 C  -2.80074297  -0.29549804   2.10670963
 C  -1.46092457   0.11751300   0.13794650
 C  -1.22225095  -1.97664791   1.39246021
 C  -0.84110193  -1.14676482   0.30671890
 H  -2.49096650  -2.17909088   3.12667751
 H  -2.91091747   1.50914865   0.91272958
 H  -3.56905000   0.03903095   2.80903072
 H  -1.16890418   0.73967834  -0.71096808
 H  -0.75337408  -2.95645766   1.50889401
 H  -0.20401143  -1.53709371  -0.49186446
Br   1.28822257  -0.36437336   1.46659881
Al   4.06764326   1.87316487   0.13004603
Br   4.21888616   0.27851741  -1.58251781
Br   1.48247909   0.04094211  -2.73467373
Br  -0.71638583  -0.22221403  -3.71571203
Br   3.55341856   0.50145275   2.19425153
Br   2.36117872   3.37062196  -0.08947431
Br   6.12998099   2.60257993   0.82871153
 20
 Energy -18491.1985377 Gradient 0.00013116
 C  -2.21294636  -1.54858985   2.24952222
 C  -2.41705643   0.54974145   1.02447548
 C  -2.80767772  -0.29387590   2.07547806
 C  -1.43598154   0.13726725   0.13331175
 C  -1.22813613  -1.97506581   1.36318668
 C  -0.82619090  -1.13336588   0.29414261
 H  -2.52429303  -2.19292329   3.07473569
 H  -2.88877168   1.52769452   0.90522433
 H  -3.58479111   0.03545654   2.77053423
 H  -1.12724434   0.76891064  -0.70254201
 H  -0.76640177  -2.95893216   1.47373699
 H  -0.18353828  -1.51835886  -0.50261670
Br   1.29350005  -0.35902392   1.46564616
Al   4.06554388   1.86894773   0.13435404
Br   4.21608342   0.26978570  -1.57520844
Br   1.48254372   0.03849115  -2.72871974
Br  -0.71862964  -0.21735484  -3.70770546
Br   3.56155352   0.49839428   2.20210732
Br   2.35059048   3.35779820  -0.08130904
Br   6.12884802   2.61334611   0.81241055
 20
 Energy -18491.19844122 Gradient 0.00015313
 C  -2.23177444  -1.55328891   2.20903953
 C  -2.40432434   0.56242446   1.00875301
 C  -2.81683805  -0.29261256   2.04154960
 C  -1.41121706   0.15540295   0.12822822
 C  -1.23527530  -1.97408648   1.33383011
 C  -0.81148998  -1.12129362   0.28209518
 H  -2.56053453  -2.20617261   3.02066743
 H  -2.86814693   1.54474423   0.89476361
 H  -3.60344404   0.03192432   2.72815062
 H  -1.08502214   0.79588094  -0.69409507
 H  -0.78073014  -2.96187085   1.43927931
 H  -0.16245061  -1.50133757  -0.51190048
Br   1.29816458  -0.35374034   1.46504980
Al   4.06377321   1.86468582   0.13860070
Br   4.21394322   0.26193334  -1.56876850
Br   1.48316558   0.03626013  -2.72245794
Br  -0.72123943  -0.21289516  -3.69745764
Br   3.56934818   0.49538672   2.20944123
Br   2.34100030   3.34562712  -0.07339576
Br   6.12792909   2.62364592   0.79594839
 20
 Energy -18491.19832984 Gradient 0.00017813
 C  -2.25219125  -1.55813555   2.16675750
 C  -2.39290956   0.57410962   0.99127552
 C  -2.82791315  -0.29186588   2.00508185
 C  -1.38722995   0.17226898   0.12253319
 C  -1.24318054  -1.97339173   1.30402605
 C  -0.79733025  -1.11016240   0.27007062
 H  -2.59880855  -2.21921250   2.96422748
 H  -2.84898168   1.56056514   0.88202574
 H  -3.62484191   0.02790848   2.68197064
 H  -1.04310909   0.82120724  -0.68567936
 H  -0.79568277  -2.96486109   1.40483259
 H  -0.14133191  -1.48543792  -0.52052072
Br   1.30240141  -0.34866624   1.46514270
Al   4.06220595   1.86091733   0.14208178
Br   4.21251895   0.25480221  -1.56328207
Br   1.48426032   0.03412562  -2.71566967
Br  -0.72399942  -0.20864405  -3.68522289
Br   3.57712043   0.49258249   2.21589304
Br   2.33180315   3.33422701  -0.06577148
Br   6.12710017   2.63309041   0.77985373
 20
 Energy -18491.19819887 Gradient 0.00020231
 C  -2.27377135  -1.56327936   2.12324670
 C  -2.38339896   0.58455385   0.97258712
 C  -2.84071372  -0.29186394   1.96694795
 C  -1.36443103   0.18798972   0.11673015
 C  -1.25169319  -1.97298121   1.27404047
 C  -0.78378223  -1.09969035   0.25841252
 H  -2.63823082  -2.23224275   2.90604194
 H  -2.83229817   1.57474211   0.86766503
 H  -3.64823816   0.02320903   2.63340290
 H  -1.00267056   0.84494853  -0.67711117
 H  -0.81083489  -2.96786186   1.37053821
 H  -0.12015642  -1.47015785  -0.52812511
Br   1.30605693  -0.34390321   1.46596091
Al   4.06073785   1.85750886   0.14515815
Br   4.21178496   0.24838861  -1.55855599
Br   1.48578682   0.03219800  -2.70873305
Br  -0.72676006  -0.20467508  -3.67142288
Br   3.58478222   0.48976268   2.22176225
Br   2.32325150   3.32357975  -0.05830641
Br   6.12634961   2.64206591   0.76362992
 20
 Energy -18491.19805146 Gradient 0.00022887
 C  -2.29631564  -1.56821897   2.07888099
 C  -2.37534899   0.59409264   0.95258621
 C  -2.85506677  -0.29212203   1.92704989
 C  -1.34273794   0.20249709   0.11070653
 C  -1.26064655  -1.97262474   1.24434937
 C  -0.77081539  -1.08999971   0.24730413
 H  -2.67861240  -2.24455885   2.84671973
 H  -2.81747545   1.58768751   0.85132988
 H  -3.67385372   0.01829848   2.58187697
 H  -0.96321828   0.86701642  -0.66836601
 H  -0.82613617  -2.97064242   1.33708508
 H  -0.09922373  -1.45597533  -0.53459135
Br   1.30921401  -0.33954848   1.46752937
Al   4.05947474   1.85410379   0.14805452
Br   4.21145013   0.24262009  -1.55454411
Br   1.48766950   0.03040789  -2.70162282
Br  -0.72953112  -0.20096261  -3.65651867
Br   3.59222807   0.48704609   2.22717233
Br   2.31545946   3.31362020  -0.05093158
Br   6.12574918   2.65063115   0.74725608
 20
 Energy -18491.19787609 Gradient 0.00025613
 C  -2.31959167  -1.57272228   2.03397765
 C  -2.36898771   0.60268078   0.93093681
 C  -2.87067599  -0.29242739   1.88557504
 C  -1.32225134   0.21574173   0.10422299
 C  -1.26999467  -1.97223239   1.21527951
 C  -0.75847938  -1.08109848   0.23685268
 H  -2.71959397  -2.25580518   2.78668059
 H  -2.80491618   1.59926875   0.83246291
 H  -3.70073381   0.01380075   2.52805758
 H  -0.92537724   0.88701315  -0.66020301
 H  -0.84140127  -2.97308940   1.30508247
 H  -0.07841035  -1.44294600  -0.53965374
Br   1.31192052  -0.33563865   1.46977574
Al   4.05832316   1.85088447   0.15068825
Br   4.21151551   0.23747341  -1.55123261
Br   1.48987008   0.02875665  -2.69414715
Br  -0.73222142  -0.19746872  -3.64072418
Br   3.59952259   0.48447599   2.23210566
Br   2.30830616   3.30419021  -0.04364521
Br   6.12524766   2.65878692   0.73079354
 20
 Energy -18491.19768775 Gradient 0.00028535
 C  -2.34322153  -1.57719104   1.98854827
 C  -2.36435363   0.61039333   0.90841233
 C  -2.88755362  -0.29322031   1.84285455
 C  -1.30336152   0.22814152   0.09764728
 C  -1.27943048  -1.97172295   1.18650467
 C  -0.74690013  -1.07252741   0.22684509
 H  -2.76037879  -2.26667759   2.72595852
 H  -2.79474011   1.60959915   0.81224523
 H  -3.72938509   0.00859342   2.47200707
 H  -0.88943140   0.90596187  -0.65176154
 H  -0.85618828  -2.97506076   1.27372983
 H  -0.05825895  -1.43023395  -0.54401133
Br   1.31420803  -0.33215434   1.47255715
Al   4.05743337   1.84772472   0.15316427
Br   4.21196705   0.23296350  -1.54852489
Br   1.49233798   0.02722834  -2.68629258
Br  -0.73472297  -0.19410949  -3.62419357
Br   3.60668915   0.48192374   2.23659856
Br   2.30155765   3.29536310  -0.03645332
Br   6.12491413   2.66649666   0.71421126
 20
 Energy -18491.19747334 Gradient 0.00032704
 C  -2.36730196  -1.58161131   1.94254577
 C  -2.36124619   0.61737316   0.88515433
 C  -2.90533275  -0.29430243   1.79922335
 C  -1.28591766   0.23977470   0.09104661
 C  -1.28908061  -1.97115220   1.15804363
 C  -0.73605215  -1.06429057   0.21738638
 H  -2.80130199  -2.27724435   2.66431436
 H  -2.78661178   1.61888544   0.79087568
 H  -3.75881025   0.00328072   2.41455891
 H  -0.85569261   0.92368366  -0.64343526
 H  -0.87066969  -2.97672553   1.24313879
 H  -0.03834329  -1.41799051  -0.54718103
Br   1.31619960  -0.32902703   1.47586399
Al   4.05642926   1.84491008   0.15548097
Br   4.21279234   0.22920517  -1.54644177
Br   1.49501272   0.02579605  -2.67799803
Br  -0.73699604  -0.19088992  -3.60708900
Br   3.61369232   0.47948282   2.24052517
Br   2.29532601   3.28687975  -0.02924751
Br   6.12461934   2.67361707   0.69755190
 20
 Energy -18491.19720683 Gradient 0.00034672
 C  -2.39049768  -1.58530484   1.89659035
 C  -2.35853348   0.62398169   0.86094038
 C  -2.92278130  -0.29503317   1.75482141
 C  -1.26917738   0.25065690   0.08399318
 C  -1.29826367  -1.97031673   1.13001251
 C  -0.72550703  -1.05652417   0.20810040
 H  -2.84072279  -2.28654521   2.60283666
 H  -2.77922877   1.62759000   0.76801325
 H  -3.78772369  -0.00142905   2.35589044
 H  -0.82356813   0.94032769  -0.63558283
 H  -0.88441655  -2.97788471   1.21341608
 H  -0.01836975  -1.40660200  -0.54942646
Br   1.31767814  -0.32641983   1.47948210
Al   4.05539767   1.84233123   0.15745136
Br   4.21393009   0.22596409  -1.54508264
Br   1.49815497   0.02455688  -2.67026747
Br  -0.73966718  -0.18810572  -3.58837053
Br   3.62037147   0.47715204   2.24408023
Br   2.28946365   3.27898230  -0.02213134
Br   6.12437157   2.68024561   0.68108311
 20
 Energy -18491.19697029 Gradient 0.00037963
 C  -2.41313516  -1.58880521   1.85064506
 C  -2.35698825   0.62991946   0.83584948
 C  -2.94046570  -0.29604437   1.70968589
 C  -1.25360639   0.26096352   0.07658073
 C  -1.30691076  -1.96925395   1.10248131
 C  -0.71538349  -1.04892921   0.19902435
 H  -2.87874460  -2.29525785   2.54156553
 H  -2.77373042   1.63523715   0.74382348
 H  -3.81683475  -0.00635039   2.29595712
 H  -0.79223726   0.95581852  -0.62797787
 H  -0.89691886  -2.97853111   1.18466854
 H  -0.00000498  -1.39552311  -0.55242545
Br   1.31854780  -0.32422721   1.48358355
Al   4.05486593   1.83960271   0.15920782
Br   4.21528105   0.22304353  -1.54420849
Br   1.50165490   0.02345459  -2.66262625
Br  -0.74218508  -0.18546212  -3.56889136
Br   3.62674665   0.47485843   2.24741298
Br   2.28371084   3.27171162  -0.01506767
Br   6.12434449   2.68657424   0.66451329
 20
 Energy -18491.19668195 Gradient 0.00041263
 C  -2.43580645  -1.59247102   1.80456811
 C  -2.35743626   0.63494738   0.80994538
 C  -2.95923437  -0.29777235   1.66364392
 C  -1.23993382   0.27068606   0.06921203
 C  -1.31552068  -1.96806871   1.07563987
 C  -0.70608048  -1.04137039   0.19077081
 H  -2.91618797  -2.30403960   2.47996744
 H  -2.77107164   1.64157088   0.71819668
 H  -3.84711947  -0.01231682   2.23443910
 H  -0.76400224   0.97069181  -0.62032129
 H  -0.90868932  -2.97865198   1.15709984
 H   0.01832694  -1.38431348  -0.55364402
Br   1.31895193  -0.32230444   1.48826928
Al   4.05420618   1.83702723   0.16106048
Br   4.21674281   0.22068073  -1.54372990
Br   1.50541290   0.02245830  -2.65418175
Br  -0.74397342  -0.18272810  -3.54983455
Br   3.63292343   0.47265501   2.25048869
Br   2.27843614   3.26451832  -0.00786588
Br   6.12440396   2.69257737   0.64750910
 20
 Energy -18491.19636457 Gradient 0.00044474
 C  -2.45794298  -1.59563885   1.75890669
 C  -2.35886618   0.63940950   0.78280249
 C  -2.97813152  -0.29943249   1.61682879
 C  -1.22726056   0.27963206   0.06144942
 C  -1.32365956  -1.96666130   1.04993945
 C  -0.69715779  -1.03415566   0.18316077
 H  -2.95239036  -2.31174332   2.41920236
 H  -2.76998637   1.64698557   0.69037096
 H  -3.87748238  -0.01795113   2.17149323
 H  -0.73731467   0.98430902  -0.61328977
 H  -0.91928544  -2.97824300   1.13160670
 H   0.03632586  -1.37386897  -0.55387728
Br   1.31871923  -0.32076348   1.49330837
Al   4.05361930   1.83448907   0.16295175
Br   4.21835134   0.21888192  -1.54372432
Br   1.50951427   0.02161550  -2.64551653
Br  -0.74549313  -0.18012343  -3.53036049
Br   3.63882392   0.47046496   2.25341417
Br   2.27345093   3.25761781  -0.00076729
Br   6.12454333   2.69820467   0.63026270
 20
 Energy -18491.19601718 Gradient 0.00048240
 C  -2.47923922  -1.59857798   1.71342578
 C  -2.36108237   0.64330059   0.75478442
 C  -2.99690696  -0.30130352   1.56936899
 C  -1.21567445   0.28807370   0.05323558
 C  -1.33111592  -1.96488402   1.02505448
 C  -0.68828198  -1.02706222   0.17606132
 H  -2.98704455  -2.31906020   2.35864856
 H  -2.77025180   1.65155621   0.66113344
 H  -3.90743520  -0.02386705   2.10752955
 H  -0.71238498   0.99724057  -0.60675057
 H  -0.92872880  -2.97716482   1.10753772
 H   0.05397760  -1.36382848  -0.55349825
Br   1.31771903  -0.31955548   1.49870608
Al   4.05284684   1.83203238   0.16518847
Br   4.22015809   0.21773799  -1.54403649
Br   1.51395821   0.02092996  -2.63662141
Br  -0.74678420  -0.17759824  -3.51041552
Br   3.64446003   0.46811651   2.25619539
Br   2.26874735   3.25111191   0.00583080
Br   6.12477330   2.70330600   0.61288048
 20
 Energy -18491.19565459 Gradient 0.00051931
 C  -2.49943105  -1.60145148   1.66831280
 C  -2.36393207   0.64670866   0.72606915
 C  -3.01527202  -0.30346402   1.52155910
 C  -1.20489499   0.29622697   0.04480952
 C  -1.33776158  -1.96292075   1.00084479
 C  -0.67957576  -1.01990882   0.16933412
 H  -3.01970047  -2.32604606   2.29883858
 H  -2.77172606   1.65533620   0.63064195
 H  -3.93687195  -0.03008436   2.04278807
 H  -0.68897877   1.00972744  -0.60052060
 H  -0.93663187  -2.97561926   1.08469183
 H   0.07125304  -1.35373895  -0.55281439
Br   1.31587494  -0.31869307   1.50440241
Al   4.05212508   1.82956441   0.16771343
Br   4.22202709   0.21718929  -1.54478927
Br   1.51873940   0.02041007  -2.62753652
Br  -0.74786204  -0.17517220  -3.49007656
Br   3.64987151   0.46559042   2.25880313
Br   2.26434303   3.24496668   0.01225071
Br   6.12502154   2.70803476   0.59528678
 20
 Energy -18491.19525711 Gradient 0.00055857
 C  -2.51823209  -1.60401050   1.62390378
 C  -2.36718170   0.64968408   0.69659534
 C  -3.03292510  -0.30571223   1.47350897
 C  -1.19492005   0.30396992   0.03593559
 C  -1.34343367  -1.96069194   0.97764103
 C  -0.67089367  -1.01281962   0.16303395
 H  -3.05023219  -2.33246740   2.24002834
 H  -2.77420782   1.65839361   0.59873690
 H  -3.96512708  -0.03644757   1.97765480
 H  -0.66707163   1.02151381  -0.59501409
 H  -0.94308360  -2.97349529   1.06341984
 H   0.08807693  -1.34403703  -0.55179238
Br   1.31303258  -0.31822299   1.51039261
Al   4.05140594   1.82702517   0.17048044
Br   4.22386321   0.21718540  -1.54601278
Br   1.52384268   0.02005116  -2.61824773
Br  -0.74872202  -0.17285082  -3.46948934
Br   3.65510291   0.46282945   2.26132161
Br   2.26030129   3.23904696   0.01863513
Br   6.12527361   2.71266196   0.57734998
 20
 Energy -18491.19482497 Gradient 0.00059925
 C  -2.53554398  -1.60625939   1.58028079
 C  -2.37062864   0.65220914   0.66618322
 C  -3.04975105  -0.30807183   1.42520078
 C  -1.18543390   0.31133683   0.02656856
 C  -1.34799229  -1.95816348   0.95556391
 C  -0.66196616  -1.00576720   0.15721871
 H  -3.07832491  -2.33819613   2.18271981
 H  -2.77736388   1.66069516   0.56513143
 H  -3.99241955  -0.04288112   1.91188231
 H  -0.64627743   1.03271453  -0.59022603
 H  -0.94778341  -2.97081424   1.04417738
 H   0.10469047  -1.33460913  -0.55052779
Br   1.30889559  -0.31819020   1.51668672
Al   4.05071320   1.82438957   0.17381832
Br   4.22559715   0.21789168  -1.54767095
Br   1.52928513   0.01983729  -2.60876357
Br  -0.74936835  -0.17059375  -3.44866149
Br   3.66016929   0.45980199   2.26378175
Br   2.25670489   3.23337328   0.02466703
Br   6.12558553   2.71704995   0.55920672
 20
 Energy -18491.19436249 Gradient 0.00064365
 C  -2.55116930  -1.60823075   1.53760315
 C  -2.37407281   0.65433104   0.63492542
 C  -3.06546937  -0.31051476   1.37676091
 C  -1.17633681   0.31836931   0.01666779
 C  -1.35126978  -1.95536076   0.93474970
 C  -0.65262143  -0.99871632   0.15199667
 H  -3.10403649  -2.34339251   2.12677898
 H  -2.78114038   1.66228559   0.52991584
 H  -4.01810802  -0.04946484   1.84583726
 H  -0.62658078   1.04331797  -0.58631366
 H  -0.95072070  -2.96751729   1.02682902
 H   0.12100552  -1.32560327  -0.54908935
Br   1.30320130  -0.31865651   1.52330369
Al   4.05014674   1.82153368   0.17793358
Br   4.22713005   0.21928588  -1.54973067
Br   1.53508127   0.01974946  -2.59909743
Br  -0.74982760  -0.16838188  -3.42769081
Br   3.66514955   0.45655782   2.26610765
Br   2.25357014   3.22791708   0.03026706
Br   6.12602433   2.72129332   0.54091284
 20
 Energy -18491.19386597 Gradient 0.00069135
 C  -2.56491809  -1.60997663   1.49601233
 C  -2.37734913   0.65609484   0.60305355
 C  -3.07992036  -0.31313331   1.32850355
 C  -1.16752302   0.32520980   0.00629087
 C  -1.35317259  -1.95223336   0.91511489
 C  -0.64279144  -0.99155026   0.14719877
 H  -3.12692536  -2.34810100   2.07270682
 H  -2.78513572   1.66324006   0.49348704
 H  -4.04226967  -0.05624159   1.77988638
 H  -0.60773121   1.05364446  -0.58304102
 H  -0.95164082  -2.96363230   1.01159380
 H   0.13703844  -1.31674330  -0.54786882
Br   1.29566643  -0.31972356   1.53026583
Al   4.04974497   1.81864103   0.18281990
Br   4.22844570   0.22133919  -1.55212340
Br   1.54123622   0.01975701  -2.58932545
Br  -0.75014528  -0.16619704  -3.40666629
Br   3.67023286   0.45311351   2.26832652
Br   2.25090369   3.22264921   0.03532204
Br   6.12658551   2.72544583   0.52253888
 20
 Energy -18491.1933325 Gradient 0.00074410
 C  -2.57667626  -1.61153000   1.45576164
 C  -2.38031819   0.65750465   0.57076216
 C  -3.09287663  -0.31588136   1.28068813
 C  -1.15890240   0.33191423  -0.00447229
 C  -1.35366146  -1.94881935   0.89676977
 C  -0.63236060  -0.98425563   0.14292966
 H  -3.14698325  -2.35239414   2.02062019
 H  -2.78941703   1.66354255   0.45604649
 H  -4.06433095  -0.06327652   1.71450604
 H  -0.58980879   1.06372201  -0.58043385
 H  -0.95077101  -2.95914551   0.99804881
 H   0.15249575  -1.30820244  -0.54709225
Br   1.28591627  -0.32152611   1.53752579
Al   4.04953159   1.81558774   0.18862859
Br   4.22948419   0.22406342  -1.55481704
Br   1.54776360   0.01984091  -2.57953299
Br  -0.75039270  -0.16403113  -3.38575833
Br   3.67574559   0.44959702   2.27041154
Br   2.24873950   3.21754989   0.03980915
Br   6.12728367   2.72957168   0.50419846
 20
 Energy -18491.19275948 Gradient 0.00080136
 C  -2.58657907  -1.61294088   1.41692772
 C  -2.38280299   0.65866354   0.53839602
 C  -3.10435377  -0.31874874   1.23365812
 C  -1.15044198   0.33843947  -0.01556219
 C  -1.35283242  -1.94519655   0.87986531
 C  -0.62130939  -0.97687327   0.13933191
 H  -3.16454152  -2.35637877   1.97051359
 H  -2.79348930   1.66335614   0.41800534
 H  -4.08463544  -0.07043620   1.64996775
 H  -0.57275005   1.07341202  -0.57871700
 H  -0.94804005  -2.95422899   0.98666176
 H   0.16728750  -1.29995155  -0.54693040
Br   1.27364263  -0.32417813   1.54503565
Al   4.04956839   1.81237390   0.19550666
Br   4.23018084   0.22732769  -1.55774971
Br   1.55464263   0.01997258  -2.56986572
Br  -0.75065104  -0.16189500  -3.36517967
Br   3.68211637   0.44623068   2.27228591
Br   2.24708313   3.21264134   0.04371456
Br   6.12814274   2.73372685   0.48609667
 20
 Energy -18491.19214082 Gradient 0.00085784
 C  -2.59489411  -1.61420866   1.37965332
 C  -2.38461983   0.65959136   0.50629458
 C  -3.11428462  -0.32157343   1.18761066
 C  -1.14191025   0.34474437  -0.02652307
 C  -1.35109161  -1.94156378   0.86438269
 C  -0.60964297  -0.96963419   0.13656925
 H  -3.17982670  -2.35989609   1.92270817
 H  -2.79707474   1.66281364   0.37998968
 H  -4.10262832  -0.07749796   1.58682878
 H  -0.55615699   1.08279797  -0.57699641
 H  -0.94421813  -2.94904200   0.97733603
 H   0.18114685  -1.29241213  -0.54750139
Br   1.25863193  -0.32777711   1.55272851
Al   4.04988217   1.80918059   0.20343666
Br   4.23053324   0.23100498  -1.56087876
Br   1.56180540   0.02014714  -2.56051769
Br  -0.75099919  -0.15981711  -3.34511733
Br   3.68970299   0.44324450   2.27391827
Br   2.24591801   3.20794271   0.04702261
Br   6.12920543   2.73790168   0.46846936
 20
 Energy -18491.19147786 Gradient 0.00091236
 C  -2.60177449  -1.61543915   1.34413672
 C  -2.38594532   0.66032459   0.47473640
 C  -3.12284157  -0.32443235   1.14311286
 C  -1.13352240   0.35084777  -0.03737146
 C  -1.34868664  -1.93810106   0.85028056
 C  -0.59772204  -0.96253646   0.13464725
 H  -3.19327648  -2.36318860   1.87714903
 H  -2.80026964   1.66191878   0.34211657
 H  -4.11889180  -0.08446522   1.52561230
 H  -0.53981563   1.09188164  -0.57522386
 H  -0.93965054  -2.94400273   0.96948849
 H   0.19369044  -1.28542820  -0.54892009
Br   1.24083951  -0.33236011   1.56054836
Al   4.05056928   1.80599749   0.21218444
Br   4.23065310   0.23499349  -1.56411288
Br   1.56916681   0.02039317  -2.55159669
Br  -0.75145599  -0.15782950  -3.32578412
Br   3.69876466   0.44082235   2.27528927
Br   2.24521558   3.20346047   0.04981251
Br   6.13046740   2.74210461   0.45147207
 20
 Energy -18491.190773 Gradient 0.00095862
 C  -2.60769423  -1.61676028   1.31036545
 C  -2.38696352   0.66075300   0.44415167
 C  -3.13024038  -0.32730756   1.10044731
 C  -1.12564362   0.35662991  -0.04811632
 C  -1.34606782  -1.93467024   0.83730139
 C  -0.58563742  -0.95565811   0.13340380
 H  -3.20504990  -2.36642345   1.83397111
 H  -2.80326967   1.66067195   0.30531281
 H  -4.13303919  -0.09125589   1.46718065
 H  -0.52479472   1.10061828  -0.57372183
 H  -0.93481594  -2.93882094   0.96297123
 H   0.20485396  -1.27925107  -0.55120730
Br   1.22049684  -0.33784123   1.56846777
Al   4.05157108   1.80291756   0.22159579
Br   4.23060564   0.23911227  -1.56742370
Br   1.57664756   0.02067241  -2.54314520
Br  -0.75204284  -0.15590390  -3.30732809
Br   3.70942208   0.43902827   2.27638124
Br   2.24490559   3.19916741   0.05216115
Br   6.13199311   2.74641570   0.43522827
 20
 Energy -18491.19002013 Gradient 0.00099201
 C  -2.61295796  -1.61816879   1.27803592
 C  -2.38761701   0.66109489   0.41463324
 C  -3.13673076  -0.33007939   1.05963961
 C  -1.11812822   0.36204261  -0.05859018
 C  -1.34356183  -1.93165205   0.82526165
 C  -0.57372833  -0.94910642   0.13292425
 H  -3.21604249  -2.36961325   1.79243878
 H  -2.80559999   1.65938045   0.26963499
 H  -4.14591887  -0.09765799   1.41123919
 H  -0.51038083   1.10888108  -0.57212078
 H  -0.93022116  -2.93413921   0.95742931
 H   0.21456919  -1.27374049  -0.55415506
Br   1.19801914  -0.34408198   1.57650683
Al   4.05307590   1.80011135   0.23120100
Br   4.23044050   0.24324510  -1.57079472
Br   1.58418490   0.02098763  -2.53519990
Br  -0.75278823  -0.15404830  -3.28976144
Br   3.72159598   0.43785867   2.27718769
Br   2.24487193   3.19505125   0.05417453
Br   6.13370909   2.75080678   0.41983854
 20
 Energy -18491.18925073 Gradient 0.00100761
 C  -2.61793928  -1.61977423   1.24691515
 C  -2.38784416   0.66144949   0.38617140
 C  -3.14265017  -0.33263250   1.02049711
 C  -1.11095328   0.36702766  -0.06872515
 C  -1.34146257  -1.92910018   0.81388256
 C  -0.56211456  -0.94310364   0.13300759
 H  -3.22633015  -2.37276321   1.75262715
 H  -2.80734659   1.65822245   0.23534624
 H  -4.15730432  -0.10356786   1.35790939
 H  -0.49664153   1.11659155  -0.57026539
 H  -0.92623308  -2.92986067   0.95253999
 H   0.22274659  -1.26920863  -0.55774484
Br   1.17385510  -0.35089699   1.58474852
Al   4.05507833   1.79774563   0.24082316
Br   4.23027795   0.24733789  -1.57418901
Br   1.59169997   0.02135376  -2.52780351
Br  -0.75364264  -0.15228892  -3.27297886
Br   3.73504187   0.43723697   2.27774034
Br   2.24500297   3.19112342   0.05590869
Br   6.13559767   2.75520098   0.40521796
 20
 Energy -18491.1884501 Gradient 0.00099825
 C  -2.62297701  -1.62125679   1.21659504
 C  -2.38790326   0.66141372   0.35885297
 C  -3.14766920  -0.33505292   0.98271753
 C  -1.10407489   0.37151164  -0.07853113
 C  -1.34004699  -1.92696529   0.80293500
 C  -0.55085404  -0.93763607   0.13365658
 H  -3.23688300  -2.37571392   1.71338394
 H  -2.80845353   1.65680019   0.20228477
 H  -4.16756248  -0.10877896   1.30643623
 H  -0.48343716   1.12385835  -0.56809356
 H  -0.92340976  -2.92626805   0.94807524
 H   0.23017091  -1.26538844  -0.56125179
Br   1.14841245  -0.35812089   1.59329596
Al   4.05743508   1.79586837   0.25036417
Br   4.23019723   0.25129217  -1.57763412
Br   1.59915419   0.02177316  -2.52091774
Br  -0.75455118  -0.15061857  -3.25685468
Br   3.74940297   0.43702171   2.27801385
Br   2.24521431   3.18740498   0.05742287
Br   6.13774235   2.75965237   0.39127669
 20
 Energy -18491.18764461 Gradient 0.00098878
 C  -2.62854239  -1.62318354   1.18675969
 C  -2.38707912   0.66098915   0.33206778
 C  -3.15231713  -0.33715898   0.94606731
 C  -1.09712047   0.37433088  -0.08854768
 C  -1.33992851  -1.92628549   0.79202507
 C  -0.54036440  -0.93404890   0.13448530
 H  -3.24797902  -2.37854699   1.67513975
 H  -2.80783573   1.65543546   0.17016559
 H  -4.17643322  -0.11284716   1.25725167
 H  -0.47006490   1.12897523  -0.56624883
 H  -0.92260407  -2.92427992   0.94363454
 H   0.23680310  -1.26368112  -0.56435717
Br   1.12209377  -0.36499972   1.60250828
Al   4.06014960   1.79445934   0.25935997
Br   4.23027763   0.25522787  -1.58109096
Br   1.60662578   0.02227830  -2.51444585
Br  -0.75551107  -0.14904319  -3.24117141
Br   3.76437019   0.43710677   2.27785267
Br   2.24553437   3.18378750   0.05886364
Br   6.13999209   2.76412244   0.37784874
 20
 Energy -18491.18684235 Gradient 0.00095746
 C  -2.63432014  -1.62521117   1.15732687
 C  -2.38606109   0.66047262   0.30606753
 C  -3.15668290  -0.33905113   0.91057775
 C  -1.09042531   0.37650999  -0.09857854
 C  -1.34072159  -1.92623213   0.78078515
 C  -0.53062166  -0.93142697   0.13505104
 H  -3.25951465  -2.38139686   1.63700943
 H  -2.80645205   1.65416565   0.13905137
 H  -4.18487412  -0.11623108   1.20959765
 H  -0.45689862   1.13341952  -0.56410915
 H  -0.92341384  -2.92336230   0.93838167
 H   0.24310066  -1.26366204  -0.56700458
Br   1.09514829  -0.37187873   1.61227618
Al   4.06303013   1.79347088   0.26786713
Br   4.23049806   0.25914573  -1.58457010
Br   1.61410967   0.02285898  -2.50834631
Br  -0.75650845  -0.14755838  -3.22583245
Br   3.77988759   0.43737546   2.27736596
Br   2.24596766   3.18026729   0.06022592
Br   6.14230305   2.76857110   0.36487744
 20
 Energy -18491.18606399 Gradient 0.00091628
 C  -2.64014376  -1.62718304   1.12805925
 C  -2.38519539   0.66023594   0.28086874
 C  -3.16089259  -0.34063128   0.87600107
 C  -1.08432771   0.37896498  -0.10843978
 C  -1.34194620  -1.92608720   0.76921355
 C  -0.52148405  -0.92847655   0.13566492
 H  -3.27054540  -2.38420538   1.59947143
 H  -2.80522013   1.65335369   0.10956489
 H  -4.19241096  -0.11920576   1.16405324
 H  -0.44482605   1.13850662  -0.56137638
 H  -0.92448702  -2.92211008   0.93266220
 H   0.24889439  -1.26269913  -0.56969293
Br   1.06774986  -0.37924167   1.62242895
Al   4.06620194   1.79274348   0.27607811
Br   4.23089021   0.26296084  -1.58815992
Br   1.62159762   0.02349726  -2.50258323
Br  -0.75752574  -0.14615462  -3.21077671
Br   3.79576548   0.43770490   2.27665065
Br   2.24646344   3.17695323   0.06150417
Br   6.14465110   2.77303333   0.35234066
 20
 Energy -18491.18531733 Gradient 0.00086737
 C  -2.64631503  -1.62923125   1.09881185
 C  -2.38405655   0.66000288   0.25631248
 C  -3.16488508  -0.34193931   0.84219820
 C  -1.07834147   0.38085481  -0.11837923
 C  -1.34403710  -1.92649980   0.75721383
 C  -0.51316340  -0.92627201   0.13605235
 H  -3.28228352  -2.38702096   1.56143552
 H  -2.80318447   1.65269236   0.08066708
 H  -4.19970208  -0.12138993   1.11931736
 H  -0.43265480   1.14241387  -0.55917742
 H  -0.92701387  -2.92184595   0.92628090
 H   0.25474414  -1.26231358  -0.57174864
Br   1.04006782  -0.38653440   1.63317267
Al   4.06957109   1.79239814   0.28378192
Br   4.23148013   0.26675761  -1.59184151
Br   1.62913931   0.02421330  -2.49710984
Br  -0.75853217  -0.14485686  -3.19581921
Br   3.81173193   0.43802970   2.27560691
Br   2.24702106   3.17377818   0.06276334
Br   6.14706595   2.77748382   0.34010225
 20
 Energy -18491.18460493 Gradient 0.00081227
 C  -2.65285835  -1.63133880   1.06945069
 C  -2.38263328   0.65967629   0.23218827
 C  -3.16867277  -0.34291228   0.80893275
 C  -1.07249165   0.38210496  -0.12849019
 C  -1.34698548  -1.92752730   0.74457961
 C  -0.50562829  -0.92489213   0.13619886
 H  -3.29418117  -2.38956004   1.52384380
 H  -2.80043660   1.65230943   0.05311315
 H  -4.20603582  -0.12278203   1.07638815
 H  -0.42070814   1.14581105  -0.55647453
 H  -0.93078122  -2.92219707   0.91907555
 H   0.26071215  -1.26271755  -0.57295522
Br   1.01220770  -0.39366662   1.64448999
Al   4.07309070   1.79242982   0.29099949
Br   4.23225021   0.27055700  -1.59558533
Br   1.63676598   0.02502817  -2.49187906
Br  -0.75950915  -0.14368723  -3.18086833
Br   3.82764405   0.43828812   2.27424369
Br   2.24763620   3.17070197   0.06398628
Br   6.14956031   2.78193485   0.32810005
 20
 Energy -18491.18393523 Gradient 0.00075386
 C  -2.65958843  -1.63346744   1.04012262
 C  -2.38092662   0.65938894   0.20857111
 C  -3.17223195  -0.34359693   0.77634770
 C  -1.06668482   0.38265953  -0.13881639
 C  -1.35056856  -1.92904186   0.73150283
 C  -0.49876480  -0.92429374   0.13597617
 H  -3.30664563  -2.39215421   1.48552249
 H  -2.79683619   1.65211012   0.02582489
 H  -4.21220137  -0.12354601   1.03393702
 H  -0.40891796   1.14837440  -0.55407279
 H  -0.93575964  -2.92351522   0.91083203
 H   0.26711521  -1.26372390  -0.57343210
Br   0.98420913  -0.40060714   1.65629300
Al   4.07690816   1.79267682   0.29792200
Br   4.23323051   0.27440611  -1.59941169
Br   1.64451439   0.02589580  -2.48684335
Br  -0.76048559  -0.14260372  -3.16586836
Br   3.84339753   0.43842119   2.27255362
Br   2.24824146   3.16779790   0.06518415
Br   6.15208918   2.78633052   0.31627166
 20
 Energy -18491.1833091 Gradient 0.00069694
 C  -2.66647119  -1.63565749   1.01062326
 C  -2.37900137   0.65902234   0.18534414
 C  -3.17552136  -0.34403413   0.74422095
 C  -1.06097841   0.38271242  -0.14936600
 C  -1.35470715  -1.93110082   0.71783198
 C  -0.49257417  -0.92435841   0.13545183
 H  -3.31891164  -2.39443814   1.44789486
 H  -2.79273796   1.65217164   0.00005531
 H  -4.21737973  -0.12361318   0.99345157
 H  -0.39724504   1.15039076  -0.55139449
 H  -0.94151960  -2.92524459   0.90220213
 H   0.27377461  -1.26529849  -0.57311820
Br   0.95611431  -0.40735274   1.66854169
Al   4.08064944   1.79349060   0.30443684
Br   4.23443759   0.27826826  -1.60338731
Br   1.65237843   0.02680671  -2.48199525
Br  -0.76146574  -0.14160298  -3.15074373
Br   3.85894771   0.43838736   2.27059274
Br   2.24886323   3.16502247   0.06639826
Br   6.15472609   2.79064913   0.30460892
 20
 Energy -18491.18274378 Gradient 0.00063248
 C  -2.67338150  -1.63789924   0.98121488
 C  -2.37675055   0.65863142   0.16272074
 C  -3.17854792  -0.34429611   0.71276887
 C  -1.05521077   0.38228114  -0.16005504
 C  -1.35923257  -1.93352080   0.70374328
 C  -0.48696477  -0.92497435   0.13463701
 H  -3.33159120  -2.39694480   1.40929352
 H  -2.78796673   1.65222656  -0.02560244
 H  -4.22246408  -0.12330428   0.95304003
 H  -0.38572511   1.15169591  -0.54918288
 H  -0.94813976  -2.92781319   0.89223457
 H   0.28091046  -1.26718625  -0.57203230
Br   0.92793847  -0.41391050   1.68112882
Al   4.08458712   1.79432313   0.31049306
Br   4.23577051   0.28225093  -1.60760297
Br   1.66037685   0.02779644  -2.47730171
Br  -0.76245932  -0.14072229  -3.13546537
Br   3.87407456   0.43811895   2.26841409
Br   2.24981859   3.16222602   0.06778968
Br   6.15727482   2.79516902   0.29298976
 20
 Energy -18491.18220341 Gradient 0.00056879
 C  -2.68024777  -1.64017525   0.95166791
 C  -2.37416363   0.65814900   0.14041235
 C  -3.18121450  -0.34428105   0.68180063
 C  -1.04936182   0.38129852  -0.17100062
 C  -1.36409495  -1.93638292   0.68907884
 C  -0.48175734  -0.92626707   0.13355392
 H  -3.34381632  -2.39907160   1.37161396
 H  -2.78249929   1.65258532  -0.04967940
 H  -4.22646720  -0.12221806   0.91489153
 H  -0.37406854   1.15249825  -0.54648920
 H  -0.95529424  -2.93071849   0.88198181
 H   0.28844155  -1.26977470  -0.57022317
Br   0.89970118  -0.42021742   1.69395111
Al   4.08894680   1.79504122   0.31649091
Br   4.23730169   0.28632786  -1.61195093
Br   1.66853416   0.02887778  -2.47269107
Br  -0.76350703  -0.13996140  -3.11998692
Br   3.88883554   0.43764062   2.26595784
Br   2.25085713   3.15957668   0.06915862
Br   6.15967934   2.79970589   0.28146498
 20
 Energy -18491.18173003 Gradient 0.00050551
 C  -2.68709197  -1.64251694   0.92216686
 C  -2.37123458   0.65768876   0.11861361
 C  -3.18346939  -0.34410731   0.65136593
 C  -1.04342555   0.37971954  -0.18232099
 C  -1.36927509  -1.93970189   0.67398979
 C  -0.47712687  -0.92821856   0.13207243
 H  -3.35651241  -2.40140964   1.33273201
 H  -2.77644891   1.65291585  -0.07384391
 H  -4.23029981  -0.12089426   0.87647156
 H  -0.36238379   1.15221635  -0.54469969
 H  -0.96329120  -2.93458022   0.87025321
 H   0.29649707  -1.27280748  -0.56766822
Br   0.87142994  -0.42620929   1.70694253
Al   4.09310479   1.79645289   0.32226181
Br   4.23892219   0.29039270  -1.61622986
Br   1.67701841   0.02986149  -2.46829169
Br  -0.76455688  -0.13926010  -3.10415190
Br   3.90330907   0.43702647   2.26316881
Br   2.25174603   3.15711731   0.07040392
Br   6.16221494   2.80408024   0.27014805
 20
 Energy -18491.18129713 Gradient 0.00044231
 C  -2.69390158  -1.64497395   0.89264188
 C  -2.36808340   0.65699857   0.09702917
 C  -3.18544697  -0.34378696   0.62143580
 C  -1.03741607   0.37758020  -0.19390362
 C  -1.37472096  -1.94345446   0.65847988
 C  -0.47279073  -0.93076879   0.13048606
 H  -3.36873717  -2.40343044   1.29504660
 H  -2.76981997   1.65341126  -0.09653968
 H  -4.23316288  -0.11885395   0.84039592
 H  -0.35070719   1.15170759  -0.54212925
 H  -0.97158312  -2.93867934   0.85857998
 H   0.30493457  -1.27647151  -0.56427167
Br   0.84306906  -0.43191366   1.71993896
Al   4.09741169   1.79808999   0.32767732
Br   4.24071383   0.29458755  -1.62062039
Br   1.68578298   0.03081315  -2.46401093
Br  -0.76562178  -0.13862109  -3.08795256
Br   3.91736080   0.43624141   2.26013238
Br   2.25265706   3.15479401   0.07169930
Br   6.16471824   2.80836022   0.25893963
 20
 Energy -18491.18092206 Gradient 0.00037996
 C  -2.70049882  -1.64737985   0.86346623
 C  -2.36460230   0.65628447   0.07597044
 C  -3.18703919  -0.34323752   0.59227088
 C  -1.03132333   0.37484628  -0.20605514
 C  -1.38030119  -1.94753853   0.64273072
 C  -0.46886895  -0.93384586   0.12859546
 H  -3.38112667  -2.40557051   1.25651876
 H  -2.76268044   1.65377578  -0.11945713
 H  -4.23583482  -0.11657229   0.80436961
 H  -0.33920913   1.15019752  -0.54073361
 H  -0.98049570  -2.94358697   0.84555196
 H   0.31363741  -1.28074091  -0.56029355
Br   0.81461716  -0.43734368   1.73282139
Al   4.10145697   1.79973000   0.33289038
Br   4.24276387   0.29894325  -1.62521970
Br   1.69476054   0.03186034  -2.45968745
Br  -0.76676317  -0.13809449  -3.07136154
Br   3.93102721   0.43521623   2.25692533
Br   2.25362575   3.15261849   0.07299596
Br   6.16726451   2.81252645   0.24781592
 20
 Energy -18491.18059385 Gradient 0.00031736
 C  -2.70705947  -1.64965199   0.83425459
 C  -2.36085133   0.65547739   0.05504156
 C  -3.18834313  -0.34236011   0.56349075
 C  -1.02507268   0.37152963  -0.21854135
 C  -1.38613552  -1.95191957   0.62672394
 C  -0.46514247  -0.93760783   0.12654502
 H  -3.39313362  -2.40708413   1.21921202
 H  -2.75482094   1.65446437  -0.14102993
 H  -4.23762536  -0.11340245   0.77048188
 H  -0.32757777   1.14831294  -0.53866238
 H  -0.98986711  -2.94865968   0.83290023
 H   0.32260155  -1.28581840  -0.55567710
Br   0.78615878  -0.44249367   1.74550254
Al   4.10576762   1.80175831   0.33807753
Br   4.24491375   0.30345536  -1.62995762
Br   1.70407555   0.03291438  -2.45538253
Br  -0.76802955  -0.13771765  -3.05432562
Br   3.94422636   0.43399013   2.25357055
Br   2.25465572   3.15057650   0.07419244
Br   6.16974952   2.81650900   0.23682232
 20
 Energy -18491.1803174 Gradient 0.00025419
 C  -2.71341847  -1.65192237   0.80541486
 C  -2.35682990   0.65460129   0.03439851
 C  -3.18925076  -0.34128748   0.53539422
 C  -1.01870101   0.36767315  -0.23167788
 C  -1.39206504  -1.95657262   0.61053904
 C  -0.46173171  -0.94175622   0.12444072
 H  -3.40528340  -2.40874919   1.18109331
 H  -2.74661101   1.65492194  -0.16309887
 H  -4.23915435  -0.10996528   0.73666144
 H  -0.31594578   1.14554867  -0.53756095
 H  -0.99972980  -2.95442776   0.81893012
 H   0.33158868  -1.29139152  -0.55052182
Br   0.75770868  -0.44734923   1.75790244
Al   4.10982949   1.80376087   0.34337955
Br   4.24724630   0.30809968  -1.63488633
Br   1.71374392   0.03400407  -2.45114162
Br  -0.76940580  -0.13747317  -3.03681507
Br   3.95699575   0.43256870   2.25019218
Br   2.25571690   3.14872589   0.07535935
Br   6.17219570   2.82036513   0.22587238
 20
 Energy -18491.18008958 Gradient 0.00019050
 C  -2.71955902  -1.65409362   0.77682268
 C  -2.35260225   0.65359866   0.01381372
 C  -3.18979748  -0.33999194   0.50773609
 C  -1.01220523   0.36326663  -0.24551793
 C  -1.39803000  -1.96142144   0.59437401
 C  -0.45849967  -0.94642145   0.12208479
 H  -3.41688331  -2.40985206   1.14449141
 H  -2.73789311   1.65557433  -0.18407977
 H  -4.23987151  -0.10595764   0.70484304
 H  -0.30420900   1.14236539  -0.53612497
 H  -1.00956292  -2.96014371   0.80570341
 H   0.34073120  -1.29775916  -0.54486971
Br   0.72921817  -0.45189392   1.76986762
Al   4.11402942   1.80593445   0.34856559
Br   4.24974408   0.31297069  -1.63996357
Br   1.72380076   0.03506104  -2.44691314
Br  -0.77092750  -0.13735365  -3.01877465
Br   3.96929228   0.43109803   2.24663991
Br   2.25697614   3.14689860   0.07660543
Br   6.17436808   2.82396903   0.21507314
 20
 Energy -18491.17991994 Gradient 0.00012646
 C  -2.72562522  -1.65614438   0.74854371
 C  -2.34794273   0.65242277  -0.00674964
 C  -3.18993660  -0.33834049   0.48065747
 C  -1.00540114   0.35795552  -0.26022775
 C  -1.40426504  -1.96671823   0.57804263
 C  -0.45550307  -0.95187012   0.11970362
 H  -3.42877403  -2.41077872   1.10730477
 H  -2.72841935   1.65599672  -0.20572926
 H  -4.24016534  -0.10127703   0.67329377
 H  -0.29225478   1.13804744  -0.53554581
 H  -1.02024719  -2.96674630   0.79132148
 H   0.34995694  -1.30531502  -0.53843298
Br   0.70075971  -0.45601007   1.78151713
Al   4.11825342   1.80832328   0.35386217
Br   4.25235996   0.31818286  -1.64519999
Br   1.73413831   0.03602576  -2.44264674
Br  -0.77264848  -0.13730947  -3.00028734
Br   3.98103034   0.42945347   2.24305227
Br   2.25825996   3.14522121   0.07772625
Br   6.17672110   2.82723224   0.20443764
 20
 Energy -18491.17978309 Gradient 0.00006423
 C  -2.73106544  -1.65837299   0.71985611
 C  -2.34335431   0.65150070  -0.02624780
 C  -3.18970971  -0.33665498   0.45456192
 C  -0.99872832   0.35299013  -0.27521324
 C  -1.41002266  -1.97193488   0.56065110
 C  -0.45248916  -0.95690288   0.11683598
 H  -3.43957068  -2.41204262   1.07003051
 H  -2.71907100   1.65696284  -0.22474549
 H  -4.23974818  -0.09658543   0.64446272
 H  -0.28080282   1.13439291  -0.53438064
 H  -1.03022931  -2.97321142   0.77558295
 H   0.35956050  -1.31193734  -0.53206764
Br   0.67216371  -0.45994044   1.79266196
Al   4.12195759   1.81103576   0.35940403
Br   4.25503181   0.32333022  -1.65031510
Br   1.74491606   0.03692078  -2.43860579
Br  -0.77460876  -0.13760127  -2.98121954
Br   3.99239292   0.42756087   2.23933400
Br   2.25940742   3.14397210   0.07862197
Br   6.17942065   2.83032025   0.19407320
 20
 Energy -18491.1797074 Gradient 0.00015818
 C  -2.73694592  -1.65944404   0.69248574
 C  -2.33834911   0.65071079  -0.04674703
 C  -3.18928889  -0.33373416   0.42873964
 C  -0.99172597   0.34685816  -0.29158204
 C  -1.41664956  -1.97708313   0.54432086
 C  -0.44982885  -0.96279110   0.11426868
 H  -3.45126117  -2.41145844   1.03433611
 H  -2.70862825   1.65798756  -0.24610618
 H  -4.23900744  -0.08995359   0.61561916
 H  -0.26873272   1.12895722  -0.53458428
 H  -1.04185663  -2.97982306   0.76110870
 H   0.36868337  -1.32077994  -0.52421040
Br   0.64389958  -0.46290203   1.80333386
Al   4.12566796   1.81362408   0.36461246
Br   4.25799381   0.32883410  -1.65600985
Br   1.75612970   0.03764272  -2.43467239
Br  -0.77672806  -0.13872203  -2.96159953
Br   4.00315422   0.42563264   2.23559768
Br   2.26070274   3.14288002   0.08014398
Br   6.18179505   2.83292310   0.18372805
 20
 Energy -18491.17968028  ZPE 0.104674  G(298.15) 28.56
 C  -2.74336052  -1.66008610   0.66775176
 C  -2.33305481   0.64934489  -0.06696767
 C  -3.18867670  -0.33016139   0.40497543
 C  -0.98460397   0.33890200  -0.30930129
 C  -1.42429631  -1.98290832   0.52990350
 C  -0.44847105  -0.97054316   0.11209627
 H  -3.46365797  -2.40951588   1.00268684
 H  -2.69724948   1.65866646  -0.26712659
 H  -4.23753355  -0.08157645   0.59031072
 H  -0.25645019   1.12157942  -0.53496825
 H  -1.05504336  -2.98715681   0.74913318
 H   0.37761395  -1.33162429  -0.51480035
Br   0.61595961  -0.46573799   1.81315047
Al   4.12925785   1.81620072   0.36978660
Br   4.26117158   0.33481252  -1.66207868
Br   1.76781094   0.03850050  -2.43046080
Br  -0.77926196  -0.13960272  -2.94088828
Br   4.01367575   0.42351298   2.23179615
Br   2.26210395   3.14194437   0.08185182
Br   6.18406624   2.83544927   0.17314919
 20
 Energy -18491.17970221 Gradient 0.00015818
 C  -2.75012156  -1.66137115   0.64297874
 C  -2.32858121   0.64755091  -0.08655780
 C  -3.18848296  -0.32697563   0.38207417
 C  -0.97828223   0.33019730  -0.32786481
 C  -1.43251850  -1.98929206   0.51511548
 C  -0.44740552  -0.97872624   0.10982926
 H  -3.47638218  -2.40837227   0.97042882
 H  -2.68658547   1.65905311  -0.28681440
 H  -4.23630485  -0.07366418   0.56680913
 H  -0.24518750   1.11364639  -0.53484332
 H  -1.06884672  -2.99523284   0.73584397
 H   0.38274427  -1.34476387  -0.50834677
Br   0.58865596  -0.46991723   1.82105659
Al   4.13303268   1.81994901   0.37572864
Br   4.26437162   0.34057398  -1.66716846
Br   1.77992355   0.03965705  -2.42587799
Br  -0.78257258  -0.13955071  -2.91889532
Br   4.02429036   0.42108837   2.22755173
Br   2.26358157   3.14132068   0.08254771
Br   6.18637145   2.83844806   0.16303473
 20
 Energy -18491.17977524 Gradient 0.00005926
 C  -2.75739627  -1.66237072   0.61788130
 C  -2.32419904   0.64547770  -0.10729874
 C  -3.18849141  -0.32336886   0.35867728
 C  -0.97197097   0.32041340  -0.34837824
 C  -1.44152606  -1.99599864   0.49982908
 C  -0.44705719  -0.98775474   0.10701106
 H  -3.48982255  -2.40665642   0.93775248
 H  -2.67550719   1.65923632  -0.30800045
 H  -4.23509751  -0.06486986   0.54302704
 H  -0.23406370   1.10468709  -0.53510016
 H  -1.08395678  -3.00379956   0.72194789
 H   0.38840399  -1.35876124  -0.50055534
Br   0.56190394  -0.47397163   1.82792905
Al   4.13647880   1.82366263   0.38155614
Br   4.26752946   0.34627193  -1.67228074
Br   1.79259523   0.04076666  -2.42125261
Br  -0.78599668  -0.13961840  -2.89654588
Br   4.03434868   0.41875043   2.22343323
Br   2.26524517   3.14102950   0.08310804
Br   6.18860982   2.84118682   0.15333766
 20
 Energy -18491.17989573 Gradient 0.00012011
 C  -2.76438945  -1.66348922   0.59335426
 C  -2.32020084   0.64326802  -0.12731220
 C  -3.18847643  -0.31986545   0.33644118
 C  -0.96594379   0.31046648  -0.36927836
 C  -1.45036113  -2.00267926   0.48448242
 C  -0.44699172  -0.99662378   0.10415726
 H  -3.50262267  -2.40511440   0.90608844
 H  -2.66482603   1.65937872  -0.32763738
 H  -4.23361215  -0.05617407   0.52165033
 H  -0.22384966   1.09586194  -0.53475610
 H  -1.09872150  -3.01227344   0.70779978
 H   0.39398712  -1.37234888  -0.49232006
Br   0.53499503  -0.47735243   1.83470323
Al   4.13959423   1.82722215   0.38696254
Br   4.27121877   0.35235462  -1.67778806
Br   1.80565997   0.04173112  -2.41697723
Br  -0.78932295  -0.14015450  -2.87399218
Br   4.04394963   0.41645812   2.21953814
Br   2.26687273   3.14095936   0.08408901
Br   6.19066239   2.84331420   0.14340593
 20
 Energy -18491.18005099 Gradient 0.00017537
 C  -2.77165526  -1.66493494   0.56873844
 C  -2.31699641   0.64095845  -0.14662341
 C  -3.18903040  -0.31667250   0.31473920
 C  -0.96054875   0.30035654  -0.39028896
 C  -1.45948073  -2.00952840   0.46887642
 C  -0.44753863  -1.00541425   0.10160549
 H  -3.51568829  -2.40429894   0.87305424
 H  -2.65503134   1.65933211  -0.34679097
 H  -4.23283839  -0.04815104   0.50036129
 H  -0.21474234   1.08688348  -0.53412923
 H  -1.11381528  -3.02115398   0.69225117
 H   0.39882079  -1.38583638  -0.48383140
Br   0.50828007  -0.48048475   1.84120736
Al   4.14266446   1.83109202   0.39201906
Br   4.27533887   0.35885617  -1.68336551
Br   1.81896974   0.04253297  -2.41290032
Br  -0.79279991  -0.14089310  -2.85119118
Br   4.05325642   0.41412027   2.21536945
Br   2.26844999   3.14100519   0.08534738
Br   6.19288869   2.84513954   0.13373837
 20
 Energy -18491.18024596 Gradient 0.00022324
 C  -2.77930549  -1.66661505   0.54455331
 C  -2.31482339   0.63838841  -0.16535203
 C  -3.19032097  -0.31389645   0.29360086
 C  -0.95598209   0.29014125  -0.41118497
 C  -1.46896744  -2.01629682   0.45362108
 C  -0.44903393  -1.01410990   0.09904610
 H  -3.52870043  -2.40373698   0.84119549
 H  -2.64628046   1.65912897  -0.36432762
 H  -4.23262966  -0.04069619   0.48063211
 H  -0.20721110   1.07805430  -0.53230172
 H  -1.12898737  -3.02972433   0.67740099
 H   0.40279888  -1.39893423  -0.47496211
Br   0.48142031  -0.48354867   1.84758348
Al   4.14585828   1.83515726   0.39678336
Br   4.27985310   0.36572176  -1.68908952
Br   1.83257360   0.04319935  -2.40889216
Br  -0.79622398  -0.14188664  -2.82834652
Br   4.06211546   0.41176908   2.21096376
Br   2.27024470   3.14119764   0.08657069
Br   6.19541185   2.84685241   0.12434843
 20
 Energy -18491.18045764 Gradient 0.00025666
 C  -2.78770606  -1.66851366   0.52100232
 C  -2.31382942   0.63578427  -0.18295709
 C  -3.19275906  -0.31153024   0.27317408
 C  -0.95244412   0.28012035  -0.43088786
 C  -1.47913690  -2.02304619   0.43879642
 C  -0.45163496  -1.02258648   0.09719201
 H  -3.54238085  -2.40381745   0.80876660
 H  -2.63896269   1.65868932  -0.38144472
 H  -4.23392538  -0.03412407   0.46023369
 H  -0.20107439   1.06917220  -0.52961454
 H  -1.14480642  -3.03848932   0.66189511
 H   0.40547718  -1.41160952  -0.46576902
Br   0.45420326  -0.48661954   1.85423945
Al   4.14915059   1.83923822   0.40099417
Br   4.28510316   0.37323617  -1.69484942
Br   1.84623780   0.04371241  -2.40486263
Br  -0.79927017  -0.14327510  -2.80590037
Br   4.07063140   0.40926555   2.20638246
Br   2.27232434   3.14162041   0.08779455
Br   6.19812765   2.84844319   0.11472962
 20
 Energy -18491.1806804 Gradient 0.00027854
 C  -2.79710124  -1.67068820   0.49742498
 C  -2.31406493   0.63326057  -0.19894319
 C  -3.19650393  -0.30969803   0.25326227
 C  -0.95007428   0.27064154  -0.44836151
 C  -1.49008797  -2.02960455   0.42433337
 C  -0.45555601  -1.03059052   0.09625646
 H  -3.55666152  -2.40441136   0.77640262
 H  -2.63296961   1.65842453  -0.39575618
 H  -4.23654560  -0.02849207   0.44065742
 H  -0.19687439   1.06073023  -0.52538138
 H  -1.16111405  -3.04686909   0.64694401
 H   0.40687785  -1.42302596  -0.45566481
Br   0.42652047  -0.48988727   1.86174403
Al   4.15256643   1.84334596   0.40442472
Br   4.29109257   0.38159772  -1.70097523
Br   1.85975142   0.04392708  -2.40071122
Br  -0.80162526  -0.14506285  -2.78448672
Br   4.07883297   0.40657848   2.20135818
Br   2.27468805   3.14239915   0.08938535
Br   6.20114028   2.84981743   0.10494230
 20
 Energy -18491.18090742 Gradient 0.00028392
 C  -2.80723882  -1.67346091   0.47435289
 C  -2.31587466   0.63075161  -0.21296284
 C  -3.20184264  -0.30896249   0.23381266
 C  -0.94914531   0.26237102  -0.46225122
 C  -1.50142663  -2.03585285   0.41073483
 C  -0.46070237  -1.03768363   0.09660620
 H  -3.57129424  -2.40636841   0.74312267
 H  -2.62933032   1.65780427  -0.40884362
 H  -4.24147900  -0.02498943   0.41907150
 H  -0.19465578   1.05333315  -0.52005172
 H  -1.17728350  -3.05495228   0.63198151
 H   0.40717373  -1.43259347  -0.44480284
Br   0.39794442  -0.49350794   1.87078061
Al   4.15641330   1.84733657   0.40676503
Br   4.29774386   0.39085169  -1.70741454
Br   1.87276728   0.04395491  -2.39659383
Br  -0.80292335  -0.14733213  -2.76473844
Br   4.08687084   0.40359207   2.19556790
Br   2.27744801   3.14352992   0.09123323
Br   6.20460585   2.85120233   0.09519777
 20
 Energy -18491.18111528 Gradient 0.00027523
 C  -2.81809972  -1.67691352   0.45167303
 C  -2.31910947   0.62835090  -0.22451152
 C  -3.20861787  -0.30945046   0.21501419
 C  -0.94971249   0.25547407  -0.47176537
 C  -1.51307593  -2.04178825   0.39817803
 C  -0.46714494  -1.04376047   0.09856294
 H  -3.58600484  -2.40951013   0.71034279
 H  -2.62789629   1.65726055  -0.41824019
 H  -4.24818550  -0.02368512   0.39768065
 H  -0.19434921   1.04692221  -0.51282275
 H  -1.19310407  -3.06242761   0.61841707
 H   0.40638278  -1.43968929  -0.43259463
Br   0.36832994  -0.49750112   1.88191249
Al   4.16070809   1.85098209   0.40763757
Br   4.30506204   0.40083596  -1.71420595
Br   1.88481768   0.04381425  -2.39238509
Br  -0.80287386  -0.15012537  -2.74761726
Br   4.09465387   0.40025991   2.18883064
Br   2.28085041   3.14509998   0.09343440
Br   6.20862271   2.85279879   0.08562345
 20
 Energy -18491.18131513 Gradient 0.00026008
 C  -2.82932171  -1.68070226   0.43036852
 C  -2.32332672   0.62590021  -0.23372946
 C  -3.21657831  -0.31086517   0.19731937
 C  -0.95147590   0.24991312  -0.47709828
 C  -1.52473491  -2.04718195   0.38714950
 C  -0.47443944  -1.04881709   0.10208372
 H  -3.60053226  -2.41361530   0.67808709
 H  -2.62817774   1.65608896  -0.42670631
 H  -4.25671014  -0.02405901   0.37496949
 H  -0.19571246   1.04184385  -0.50520885
 H  -1.20827817  -3.06922984   0.60585952
 H   0.40499022  -1.44485847  -0.41916272
Br   0.33787390  -0.50180984   1.89515865
Al   4.16588552   1.85454565   0.40727588
Br   4.31270875   0.41149523  -1.72158588
Br   1.89552261   0.04346322  -2.38796545
Br  -0.80122131  -0.15346874  -2.73343083
Br   4.10188924   0.39650929   2.18103881
Br   2.28484334   3.14692016   0.09605276
Br   6.21331135   2.85474313   0.07643412
 20
 Energy -18491.1814969 Gradient 0.00024554
 C  -2.84035194  -1.68505255   0.41062810
 C  -2.32844608   0.62311297  -0.24196321
 C  -3.22503465  -0.31354653   0.18010761
 C  -0.95412995   0.24534688  -0.47910116
 C  -1.53588941  -2.05225802   0.37797207
 C  -0.48226559  -1.05301466   0.10708581
 H  -3.61422185  -2.41848332   0.64846594
 H  -2.63036823   1.65433266  -0.43394883
 H  -4.26600626  -0.02645885   0.35220400
 H  -0.19819218   1.03756874  -0.49643869
 H  -1.22210237  -3.07522681   0.59618720
 H   0.40337546  -1.44813362  -0.40407297
Br   0.30697916  -0.50603080   1.91015915
Al   4.17156722   1.85786630   0.40548825
Br   4.32024890   0.42249658  -1.72944292
Br   1.90474136   0.04313608  -2.38360485
Br  -0.79797572  -0.15736110  -2.72163563
Br   4.10859595   0.39219244   2.17217374
Br   2.28933492   3.14896572   0.09889213
Br   6.21864235   2.85720399   0.06816221
 20
 Energy -18491.18168255 Gradient 0.00023241
 C  -2.85086225  -1.69023915   0.39218674
 C  -2.33425687   0.61976876  -0.24891751
 C  -3.23388653  -0.31753495   0.16367927
 C  -0.95759981   0.24125639  -0.47881098
 C  -1.54629599  -2.05729144   0.37033250
 C  -0.49019966  -1.05665440   0.11320802
 H  -3.62683976  -2.42469386   0.61976623
 H  -2.63404783   1.65163964  -0.44080695
 H  -4.27610771  -0.03093675   0.32875600
 H  -0.20177763   1.03388884  -0.48767917
 H  -1.23451313  -3.08097671   0.58800878
 H   0.40160462  -1.45034416  -0.38831167
Br   0.27593964  -0.50986475   1.92624327
Al   4.17772922   1.86076749   0.40269443
Br   4.32769217   0.43366152  -1.73775048
Br   1.91276977   0.04306693  -2.37927195
Br  -0.79358428  -0.16173147  -2.71154231
Br   4.11477006   0.38755654   2.16218064
Br   2.29418395   3.15124351   0.10215330
Br   6.22439696   2.85984266   0.06073752
 20
 Energy -18491.18185146 Gradient 0.00022021
 C  -2.86087264  -1.69581321   0.37491616
 C  -2.34033666   0.61600135  -0.25533021
 C  -3.24268192  -0.32225442   0.14793182
 C  -0.96138688   0.23739285  -0.47739214
 C  -1.55607933  -2.06222777   0.36384425
 C  -0.49815525  -1.05992615   0.12007802
 H  -3.63849429  -2.43140597   0.59313644
 H  -2.63851699   1.64837470  -0.44691045
 H  -4.28613444  -0.03641114   0.30631761
 H  -0.20592874   1.03049853  -0.47860753
 H  -1.24581267  -3.08634147   0.58165170
 H   0.39995259  -1.45180294  -0.37143143
Br   0.24483915  -0.51312234   1.94285064
Al   4.18402501   1.86333917   0.39928189
Br   4.33494046   0.44476768  -1.74642201
Br   1.92008282   0.04334593  -2.37514178
Br  -0.78866258  -0.16685751  -2.70224752
Br   4.12025797   0.38243783   2.15137996
Br   2.29971983   3.15390173   0.10528859
Br   6.23044749   2.86272353   0.05438524
 20
 Energy -18491.18200727 Gradient 0.00020640
 C  -2.87027168  -1.70187496   0.35869124
 C  -2.34670128   0.61176801  -0.26152720
 C  -3.25140513  -0.32772958   0.13254570
 C  -0.96546885   0.23354885  -0.47535775
 C  -1.56519936  -2.06716567   0.35853789
 C  -0.50608273  -1.06286640   0.12764305
 H  -3.64919890  -2.43882108   0.56747184
 H  -2.64372442   1.64438337  -0.45367179
 H  -4.29628300  -0.04303518   0.28333450
 H  -0.21059768   1.02729244  -0.47005108
 H  -1.25601766  -3.09154025   0.57662198
 H   0.39819551  -1.45283394  -0.35401225
Br   0.21373702  -0.51556913   1.95970465
Al   4.19050294   1.86566208   0.39551242
Br   4.34204000   0.45580643  -1.75531588
Br   1.92700468   0.04383479  -2.37121640
Br  -0.78344870  -0.17277480  -2.69336329
Br   4.12507247   0.37661652   2.14000315
Br   2.30596360   3.15708976   0.10778827
Br   6.23652304   2.86593059   0.04931734
 20
 Energy -18491.18215601 Gradient 0.00019440
 C  -2.87920812  -1.70843067   0.34347878
 C  -2.35324849   0.60688575  -0.26733104
 C  -3.26003099  -0.33395297   0.11788106
 C  -0.96978548   0.22945568  -0.47255794
 C  -1.57382826  -2.07228514   0.35414854
 C  -0.51378264  -1.06598191   0.13559755
 H  -3.65914138  -2.44676654   0.54342553
 H  -2.64937543   1.63966274  -0.45991812
 H  -4.30625504  -0.05058270   0.26156023
 H  -0.21575226   1.02398371  -0.46109612
 H  -1.26548482  -3.09673387   0.57304936
 H   0.39670804  -1.45384932  -0.33589120
Br   0.18281985  -0.51724229   1.97651427
Al   4.19716463   1.86787441   0.39131166
Br   4.34896128   0.46710088  -1.76468692
Br   1.93343501   0.04448991  -2.36730892
Br  -0.77793973  -0.17918250  -2.68481976
Br   4.12931352   0.37003619   2.12783844
Br   2.31253322   3.16046002   0.11027281
Br   6.24282881   2.86945527   0.04536669
 20
 Energy -18491.1822926 Gradient 0.00018253
 C  -2.88760941  -1.71545728   0.32948480
 C  -2.36025805   0.60155861  -0.27296982
 C  -3.26866838  -0.34092662   0.10367352
 C  -0.97456467   0.22547176  -0.46929405
 C  -1.58182722  -2.07738551   0.35092959
 C  -0.52152973  -1.06870278   0.14405810
 H  -3.66811943  -2.45544630   0.52089511
 H  -2.65603680   1.63420781  -0.46677486
 H  -4.31640057  -0.05927317   0.23946485
 H  -0.22166514   1.02102991  -0.45272994
 H  -1.27383463  -3.10174364   0.57070665
 H   0.39491027  -1.45424356  -0.31773308
Br   0.15230596  -0.51822120   1.99319157
Al   4.20372539   1.87022619   0.38709568
Br   4.35561742   0.47863859  -1.77439675
Br   1.93947023   0.04538054  -2.36353807
Br  -0.77233935  -0.18618448  -2.67641404
Br   4.13314283   0.36280076   2.11485999
Br   2.31944732   3.16442814   0.11268309
Br   6.24937650   2.87260318   0.04243320
 20
 Energy -18491.18242972 Gradient 0.00017087
 C  -2.89548820  -1.72314969   0.31651547
 C  -2.36784327   0.59547086  -0.27883382
 C  -3.27740578  -0.34889959   0.08972604
 C  -0.97983716   0.22132129  -0.46586522
 C  -1.58925828  -2.08254855   0.34885863
 C  -0.52929270  -1.07120487   0.15298226
 H  -3.67613793  -2.46497328   0.50012130
 H  -2.66374153   1.62781043  -0.47405746
 H  -4.32664418  -0.06933963   0.21788640
 H  -0.22844709   1.01819718  -0.44422300
 H  -1.28112969  -3.10649606   0.57032778
 H   0.39309530  -1.45425807  -0.29888206
Br   0.12226952  -0.51825183   2.00965393
Al   4.21018695   1.87243320   0.38260976
Br   4.36200255   0.49060934  -1.78421526
Br   1.94531238   0.04652998  -2.35986345
Br  -0.76672811  -0.19387734  -2.66809528
Br   4.13633135   0.35507910   2.10130934
Br   2.32671313   3.16909302   0.11482892
Br   6.25623761   2.87504196   0.04044489
 20
 Energy -18491.18254984 Gradient 0.00016031
 C  -2.90274025  -1.73155506   0.30480833
 C  -2.37553190   0.58852486  -0.28450815
 C  -3.28589787  -0.35778184   0.07649301
 C  -0.98522064   0.21666381  -0.46229477
 C  -1.59606214  -2.08809943   0.34785667
 C  -0.53678199  -1.07394988   0.16225314
 H  -3.68323849  -2.47535051   0.48091632
 H  -2.67184370   1.62034580  -0.48182556
 H  -4.33668296  -0.08052944   0.19669898
 H  -0.23555451   1.01505182  -0.43617339
 H  -1.28757239  -3.11154443   0.57112202
 H   0.39134381  -1.45453205  -0.27984012
Br   0.09265719  -0.51734091   2.02579603
Al   4.21643237   1.87424797   0.37794972
Br   4.36827486   0.50313911  -1.79451169
Br   1.95088997   0.04797356  -2.35625950
Br  -0.76116629  -0.20209187  -2.65992329
Br   4.13875256   0.34692920   2.08747838
Br   2.33437158   3.17410624   0.11688734
Br   6.26329606   2.87702181   0.03930284
 20
 Energy -18491.18267594 Gradient 0.00014942
 C  -2.90925255  -1.74065678   0.29432373
 C  -2.38357427   0.58083377  -0.29024436
 C  -3.29420648  -0.36763998   0.06388567
 C  -0.99091872   0.21173879  -0.45891201
 C  -1.60212154  -2.09380003   0.34790652
 C  -0.54407635  -1.07653450   0.17178236
 H  -3.68920497  -2.48659351   0.46372087
 H  -2.68075829   1.61197588  -0.48975146
 H  -4.34649454  -0.09301603   0.17662955
 H  -0.24337418   1.01195564  -0.42835291
 H  -1.29278591  -3.11645956   0.57356199
 H   0.38973105  -1.45451145  -0.26044647
Br   0.06367092  -0.51555183   2.04148961
Al   4.22265448   1.87594903   0.37315754
Br   4.37437863   0.51594042  -1.80523158
Br   1.95633352   0.04962810  -2.35294235
Br  -0.75562157  -0.21100304  -2.65171204
Br   4.14036010   0.33827335   2.07312035
Br   2.34232363   3.17949667   0.11884080
Br   6.27037927   2.87894502   0.03945475
 20
 Energy -18491.18278463 Gradient 0.00013998
 C  -2.91522376  -1.75011574   0.28502892
 C  -2.39191531   0.57256142  -0.29638219
 C  -3.30240153  -0.37810036   0.05168727
 C  -0.99685475   0.20663394  -0.45575983
 C  -1.60757727  -2.09948489   0.34902984
 C  -0.55118979  -1.07891855   0.18153882
 H  -3.69431578  -2.49833689   0.44815398
 H  -2.69030189   1.60277884  -0.49885242
 H  -4.35623682  -0.10637187   0.15670839
 H  -0.25170743   1.00894857  -0.42117772
 H  -1.29709709  -3.12119428   0.57738517
 H   0.38809591  -1.45428537  -0.24097626
Br   0.03542001  -0.51274683   2.05671832
Al   4.22881072   1.87779574   0.36879173
Br   4.38011961   0.52918271  -1.81606586
Br   1.96168164   0.05135798  -2.35002039
Br  -0.75004699  -0.22082727  -2.64346775
Br   4.14127247   0.32914984   2.05821620
Br   2.35043883   3.18514616   0.12061048
Br   6.27756427   2.88065856   0.04076931
 20
 Energy -18491.18288233 Gradient 0.00013126
 C  -2.92058043  -1.76011158   0.27688896
 C  -2.40041262   0.56361815  -0.30268774
 C  -3.31040137  -0.38939353   0.03985786
 C  -1.00298506   0.20125986  -0.45261301
 C  -1.61237926  -2.10526259   0.35127139
 C  -0.55807742  -1.08119100   0.19158377
 H  -3.69851108  -2.51072650   0.43452793
 H  -2.70034488   1.59272529  -0.50846285
 H  -4.36575810  -0.12082701   0.13732322
 H  -0.26052114   1.00588453  -0.41449487
 H  -1.30040551  -3.12574367   0.58303098
 H   0.38655534  -1.45368442  -0.22140443
Br   0.00793400  -0.50889004   2.07147928
Al   4.23467603   1.87976952   0.36478463
Br   4.38545067   0.54321940  -1.82691078
Br   1.96687683   0.05340348  -2.34721369
Br  -0.74449844  -0.23144179  -2.63547538
Br   4.14147134   0.31961189   2.04320028
Br   2.35869567   3.19132456   0.12267343
Br   6.28502502   2.88121781   0.04216262
 20
 Energy -18491.18297579 Gradient 0.00012297
 C  -2.92517989  -1.77082956   0.26989633
 C  -2.40927215   0.55384785  -0.30921087
 C  -3.31823951  -0.40171233   0.02846424
 C  -1.00939830   0.19566828  -0.44972139
 C  -1.61636703  -2.11115521   0.35454179
 C  -0.56463661  -1.08328879   0.20171700
 H  -3.70152260  -2.52410223   0.42251989
 H  -2.71120942   1.58157584  -0.51891168
 H  -4.37519249  -0.13674356   0.11812716
 H  -0.27000131   1.00295512  -0.40855943
 H  -1.30245862  -3.13018921   0.59001785
 H   0.38507550  -1.45302520  -0.20201343
Br  -0.01862659  -0.50403158   2.08563592
Al   4.24025146   1.88142491   0.36075591
Br   4.39030581   0.55788955  -1.83786849
Br   1.97186818   0.05566101  -2.34452605
Br  -0.73913229  -0.24269981  -2.62764216
Br   4.14089834   0.30984724   2.02804342
Br   2.36723889   3.19814787   0.12511703
Br   6.29277778   2.88072092   0.04396266
 20
 Energy -18491.18303115 Gradient 0.00011555
 C  -2.92962550  -1.78199692   0.26304121
 C  -2.41837993   0.54330712  -0.31745794
 C  -3.32619035  -0.41500217   0.01538656
 C  -1.01582362   0.19042873  -0.44568624
 C  -1.62019542  -2.11696321   0.35863668
 C  -0.57149100  -1.08516731   0.21216389
 H  -3.70417080  -2.53804521   0.41111612
 H  -2.72269289   1.56932426  -0.53206847
 H  -4.38487896  -0.15406721   0.09576588
 H  -0.27963439   1.00046525  -0.40201744
 H  -1.30407918  -3.13422032   0.59878290
 H   0.38326607  -1.45174849  -0.18232030
Br  -0.04429469  -0.49848122   2.09949555
Al   4.24549941   1.88295081   0.35663474
Br   4.39484334   0.57268782  -1.84871146
Br   1.97631380   0.05780353  -2.34218376
Br  -0.73314661  -0.25416917  -2.62029254
Br   4.13960479   0.30019432   2.01300136
Br   2.37592318   3.20549983   0.12784320
Br   6.30063431   2.87938828   0.04659147
 20
 Energy -18491.18314959 Gradient 0.00011293
 C  -2.93240426  -1.79418801   0.25750144
 C  -2.42779572   0.53222598  -0.32390939
 C  -3.33348136  -0.42926145   0.00503522
 C  -1.02293247   0.18416354  -0.44454736
 C  -1.62223630  -2.12313372   0.36300977
 C  -0.57707728  -1.08675751   0.22200840
 H  -3.70454703  -2.55345277   0.40150983
 H  -2.73496140   1.55647475  -0.54277791
 H  -4.39374646  -0.17277212   0.07863222
 H  -0.29064542   0.99758037  -0.39825593
 H  -1.30338189  -3.13847274   0.60756321
 H   0.38263651  -1.44982469  -0.16369950
Br  -0.06948126  -0.49181215   2.11225968
Al   4.25064904   1.88435086   0.35300212
Br   4.39899295   0.58772569  -1.85952875
Br   1.98101035   0.06040900  -2.34005394
Br  -0.72782223  -0.26644153  -2.61307761
Br   4.13751417   0.29031949   1.99793265
Br   2.38498627   3.21325967   0.13071874
Br   6.30853524   2.87749146   0.04987814
 20
 Energy -18491.18322855 Gradient 0.00010344
 C  -2.93345123  -1.80731814   0.25398062
 C  -2.43676639   0.52006374  -0.32999360
 C  -3.33965347  -0.44475897  -0.00339798
 C  -1.02943893   0.17793950  -0.44280808
 C  -1.62234291  -2.12968389   0.36792680
 C  -0.58160179  -1.08819451   0.23158567
 H  -3.70277429  -2.57004522   0.39491400
 H  -2.74742666   1.54234977  -0.55308699
 H  -4.40145413  -0.19306128   0.06425027
 H  -0.30128624   0.99495898  -0.39482319
 H  -1.29996522  -3.14290793   0.61664217
 H   0.38328205  -1.44715536  -0.14488470
Br  -0.09330972  -0.48373542   2.12412158
Al   4.25571072   1.88576452   0.34957523
Br   4.40258812   0.60310922  -1.87041017
Br   1.98527122   0.06333573  -2.33823845
Br  -0.72326739  -0.27965052  -2.60611651
Br   4.13438590   0.28010740   1.98262766
Br   2.39426390   3.22133148   0.13411121
Br   6.31654716   2.87504107   0.05347909
 20
 Energy -18491.18330236 Gradient 0.00009852
 C  -2.93410252  -1.82096609   0.25095247
 C  -2.44583481   0.50703472  -0.33732762
 C  -3.34575870  -0.46131148  -0.01332581
 C  -1.03595547   0.17147158  -0.44075313
 C  -1.62216101  -2.13610393   0.37457146
 C  -0.58597645  -1.08953141   0.24182282
 H  -3.70030976  -2.58729085   0.38914224
 H  -2.76026203   1.52692781  -0.56598875
 H  -4.40925914  -0.21492424   0.04664015
 H  -0.31229959   0.99234596  -0.39162984
 H  -1.29617133  -3.14682416   0.62862383
 H   0.38355149  -1.44489473  -0.12602527
Br  -0.11569398  -0.47475074   2.13582286
Al   4.26004987   1.88689730   0.34617933
Br   4.40552752   0.61884796  -1.88116763
Br   1.98889240   0.06627600  -2.33691259
Br  -0.71817804  -0.29308633  -2.59947273
Br   4.13086137   0.26972856   1.96722930
Br   2.40352088   3.23002847   0.13784905
Br   6.32442109   2.87159487   0.05762170
 20
 Energy -18491.18337179 Gradient 0.00009302
 C  -2.93393277  -1.83513380   0.24927224
 C  -2.45521722   0.49338711  -0.34454815
 C  -3.35160478  -0.47863206  -0.02195707
 C  -1.04281373   0.16483602  -0.43959330
 C  -1.62100136  -2.14252962   0.38173601
 C  -0.58994527  -1.09050313   0.25168266
 H  -3.69669678  -2.60525078   0.38560696
 H  -2.77382286   1.51074139  -0.57867434
 H  -4.41673726  -0.23784900   0.03146689
 H  -0.32396741   0.98984954  -0.38947392
 H  -1.29089584  -3.15049181   0.64141938
 H   0.38426919  -1.44163188  -0.10773729
Br  -0.13716566  -0.46487023   2.14659937
Al   4.26410049   1.88797536   0.34330692
Br   4.40798394   0.63500329  -1.89176060
Br   1.99252239   0.06949750  -2.33588105
Br  -0.71340735  -0.30706103  -2.59300902
Br   4.12695309   0.25916036   1.95197897
Br   2.41289875   3.23911365   0.14170752
Br   6.33223598   2.86718956   0.06219405
 20
 Energy -18491.18343224 Gradient 0.00008824
 C  -2.93406961  -1.84951632   0.24998501
 C  -2.46450134   0.47867675  -0.35219445
 C  -3.35745586  -0.49650041  -0.03000050
 C  -1.04965842   0.15700521  -0.43826279
 C  -1.62037684  -2.14925627   0.39143894
 C  -0.59420511  -1.09246055   0.26205844
 H  -3.69346646  -2.62308530   0.38550717
 H  -2.78714819   1.49318060  -0.59304459
 H  -4.42412282  -0.26115821   0.01628135
 H  -0.33550562   0.98603621  -0.38755222
 H  -1.28641767  -3.15425554   0.65755450
 H   0.38389673  -1.44048109  -0.08973108
Br  -0.15675926  -0.45333910   2.15594982
Al   4.26805029   1.88879065   0.34043370
Br   4.40993359   0.65157651  -1.90229511
Br   1.99560307   0.07277194  -2.33494551
Br  -0.70873810  -0.32173900  -2.58689911
Br   4.12215473   0.24864201   1.93691404
Br   2.42249562   3.24834507   0.14636081
Br   6.34021506   2.86198055   0.06666675
 20
 Energy -18491.1835004 Gradient 0.00008270
 C  -2.93188131  -1.86462231   0.25089400
 C  -2.47400831   0.46361220  -0.35984820
 C  -3.36240956  -0.51557160  -0.03737121
 C  -1.05661524   0.15026087  -0.43792355
 C  -1.61702173  -2.15540315   0.40029806
 C  -0.59692847  -1.09248223   0.27163353
 H  -3.68706483  -2.64234574   0.38616870
 H  -2.80173592   1.47495128  -0.60707136
 H  -4.43073673  -0.28669535   0.00275265
 H  -0.34816433   0.98411203  -0.38745003
 H  -1.27807276  -3.15695890   0.67298691
 H   0.38581783  -1.43554903  -0.07200986
Br  -0.17575936  -0.44122991   2.16551345
Al   4.27182712   1.88964726   0.33776339
Br   4.41114948   0.66798008  -1.91267096
Br   1.99832572   0.07610699  -2.33438109
Br  -0.70431266  -0.33686107  -2.58125657
Br   4.11681109   0.23827736   1.92182842
Br   2.43219480   3.25787988   0.15141671
Br   6.34825171   2.85604380   0.07142523
 20
 Energy -18491.18356284 Gradient 0.00007997
 C  -2.92663592  -1.88124335   0.25027431
 C  -2.48332673   0.44807263  -0.36684204
 C  -3.36591422  -0.53651354  -0.04498361
 C  -1.06319313   0.14475889  -0.43705939
 C  -1.61042892  -2.16146217   0.40761338
 C  -0.59790982  -1.09108164   0.28085326
 H  -3.67656447  -2.66425464   0.38427396
 H  -2.81738103   1.45590277  -0.61985635
 H  -4.43611632  -0.31557257  -0.01110323
 H  -0.36101598   0.98391966  -0.38751495
 H  -1.26528329  -3.15942528   0.68565566
 H   0.38973881  -1.42764857  -0.05503346
Br  -0.19478477  -0.42872793   2.17503350
Al   4.27534693   1.89049026   0.33537504
Br   4.41208698   0.68409550  -1.92272982
Br   2.00072372   0.07953690  -2.33409979
Br  -0.70000884  -0.35159338  -2.57568848
Br   4.11072642   0.22792052   1.90680887
Br   2.44182173   3.26756186   0.15652132
Br   6.35627652   2.84955980   0.07650232
 20
 Energy -18491.1836171 Gradient 0.00007588
 C  -2.92111755  -1.89787519   0.25089261
 C  -2.49180482   0.43231259  -0.37272525
 C  -3.36872671  -0.55738697  -0.05125747
 C  -1.06919856   0.13824894  -0.43672856
 C  -1.60368513  -2.16782601   0.41592296
 C  -0.59848172  -1.09042780   0.28994437
 H  -3.66598031  -2.68582728   0.38418206
 H  -2.83184001   1.43682890  -0.63090315
 H  -4.44060930  -0.34398328  -0.02262377
 H  -0.37310354   0.98247698  -0.38827886
 H  -1.25266014  -3.16204890   0.69991701
 H   0.39381157  -1.42085303  -0.03829103
Br  -0.21238309  -0.41514078   2.18331604
Al   4.27858589   1.89103963   0.33320139
Br   4.41247905   0.70045480  -1.93260583
Br   2.00272114   0.08346998  -2.33381810
Br  -0.69584122  -0.36700141  -2.57028508
Br   4.10402420   0.21726133   1.89169893
Br   2.45159351   3.27738323   0.16179915
Br   6.36404115   2.84254280   0.08194747
 20
 Energy -18491.18368302 Gradient 0.00007178
 C  -2.91470832  -1.91564675   0.25378100
 C  -2.50154380   0.41446556  -0.38058925
 C  -3.37189151  -0.58044088  -0.05734525
 C  -1.07616090   0.13172674  -0.43641169
 C  -1.59588626  -2.17404484   0.42584874
 C  -0.59890114  -1.08912351   0.29912541
 H  -3.65370380  -2.70897993   0.38779792
 H  -2.84851968   1.41470277  -0.64602738
 H  -4.44558163  -0.37557418  -0.03476645
 H  -0.38723263   0.98185056  -0.38927121
 H  -1.23806155  -3.16400667   0.71617363
 H   0.39774380  -1.41316115  -0.02221019
Br  -0.22854769  -0.40076542   2.19106657
Al   4.28142350   1.89138139   0.33102168
Br   4.41260871   0.71658102  -1.94227884
Br   2.00453825   0.08718711  -2.33393948
Br  -0.69169254  -0.38147191  -2.56519380
Br   4.09693930   0.20659962   1.87662429
Br   2.46127812   3.28726737   0.16741262
Br   6.37152825   2.83503225   0.08773693
 20
 Energy -18491.18372521 Gradient 0.00006973
 C  -2.90722481  -1.93468181   0.25720882
 C  -2.51139415   0.39581476  -0.38683571
 C  -3.37446930  -0.60494743  -0.06246234
 C  -1.08335033   0.12457922  -0.43644459
 C  -1.58700583  -2.18086320   0.43635502
 C  -0.59887568  -1.08800584   0.30817903
 H  -3.64000223  -2.73361725   0.39208795
 H  -2.86575980   1.39177474  -0.65852035
 H  -4.44994460  -0.40916050  -0.04508021
 H  -0.40173783   0.98055554  -0.39023622
 H  -1.22195135  -3.16615683   0.73347593
 H   0.40216336  -1.40506122  -0.00643621
Br  -0.24409242  -0.38534217   2.19797676
Al   4.28403264   1.89145855   0.32859966
Br   4.41265091   0.73220282  -1.95190312
Br   2.00620540   0.09104512  -2.33404177
Br  -0.68780003  -0.39495769  -2.56017934
Br   4.08946081   0.19574537   1.86144031
Br   2.47099918   3.29720512   0.17361631
Br   6.37885142   2.82689232   0.09341130
 20
 Energy -18491.18378352 Gradient 0.00006437
 C  -2.89728976  -1.95422428   0.26082808
 C  -2.52118725   0.37655508  -0.39360648
 C  -3.37601403  -0.63062903  -0.06719132
 C  -1.09031456   0.11880881  -0.43598718
 C  -1.57547533  -2.18688930   0.44613914
 C  -0.59731719  -1.08521275   0.31680009
 H  -3.62287464  -2.75952374   0.39672997
 H  -2.88395055   1.36763244  -0.67197344
 H  -4.45335802  -0.44499435  -0.05507116
 H  -0.41730264   0.98164000  -0.39189043
 H  -1.20217703  -3.16725021   0.74926891
 H   0.40825887  -1.39404976   0.00850024
Br  -0.25859209  -0.36935919   2.20470183
Al   4.28650026   1.89123305   0.32660833
Br   4.41204411   0.74752249  -1.96104088
Br   2.00712471   0.09536697  -2.33440261
Br  -0.68429537  -0.40844313  -2.55559724
Br   4.08165283   0.18474342   1.84632068
Br   2.48069799   3.30677812   0.17990444
Br   6.38600694   2.81838981   0.09931397
 20
 Energy -18491.18383287 Gradient 0.00006480
 C  -2.88564050  -1.97582802   0.26482413
 C  -2.53240288   0.35535399  -0.40082730
 C  -3.37745753  -0.65935816  -0.07236614
 C  -1.09864163   0.11285234  -0.43637546
 C  -1.56211264  -2.19306472   0.45663807
 C  -0.59547909  -1.08150373   0.32507740
 H  -3.60296455  -2.78822906   0.40231719
 H  -2.90481830   1.34089000  -0.68604963
 H  -4.45680605  -0.48548712  -0.06553035
 H  -0.43520775   0.98312179  -0.39437610
 H  -1.17937175  -3.16759071   0.76672665
 H   0.41470026  -1.38096864   0.02255610
Br  -0.27222149  -0.35212407   2.21059729
Al   4.28875914   1.89060740   0.32493989
Br   4.41128858   0.76254113  -1.96982335
Br   2.00792660   0.09968575  -2.33485713
Br  -0.68050334  -0.42102631  -2.55139350
Br   4.07372227   0.17399380   1.83195219
Br   2.48995971   3.31560614   0.18613845
Br   6.39271414   2.80973742   0.10550930
 20
 Energy -18491.18388123 Gradient 0.00006333
 C  -2.87250638  -1.99764880   0.26912887
 C  -2.54257029   0.33381850  -0.40733920
 C  -3.37757313  -0.68837651  -0.07645149
 C  -1.10603061   0.10668123  -0.43713349
 C  -1.54737723  -2.19929482   0.46673600
 C  -0.59259698  -1.07781085   0.33284332
 H  -3.58132224  -2.81720696   0.40822695
 H  -2.92477673   1.31371841  -0.69895025
 H  -4.45877149  -0.52628103  -0.07409420
 H  -0.45223622   0.98426072  -0.39749277
 H  -1.15503381  -3.16793731   0.78318038
 H   0.42218407  -1.36760618   0.03630441
Br  -0.28583640  -0.33388724   2.21555372
Al   4.29058460   1.88986712   0.32339376
Br   4.41046053   0.77717255  -1.97831190
Br   2.00871279   0.10408387  -2.33529425
Br  -0.67694846  -0.43368585  -2.54755920
Br   4.06580220   0.16336564   1.81788328
Br   2.49889705   3.32420380   0.19291574
Br   6.39900038   2.80080062   0.11167310
 20
 Energy -18491.18393004 Gradient 0.00006154
 C  -2.85769319  -2.01985317   0.27393865
 C  -2.55259808   0.31161407  -0.41400124
 C  -3.37679073  -0.71840944  -0.08029962
 C  -1.11337834   0.10082698  -0.43814371
 C  -1.53095969  -2.20501348   0.47699922
 C  -0.58886661  -1.07317020   0.34035545
 H  -3.55740088  -2.84685581   0.41510618
 H  -2.94515152   1.28541225  -0.71225472
 H  -4.45980072  -0.56887316  -0.08232888
 H  -0.46987012   0.98604855  -0.40134650
 H  -1.12844119  -3.16730383   0.80001196
 H   0.43051489  -1.35251522   0.04952912
Br  -0.29870398  -0.31499362   2.22010795
Al   4.29229795   1.88901682   0.32210334
Br   4.40918023   0.79133377  -1.98623331
Br   2.00906349   0.10839326  -2.33616076
Br  -0.67351273  -0.44616904  -2.54409478
Br   4.05771046   0.15290106   1.80404816
Br   2.50767796   3.33260413   0.20008709
Br   6.40504101   2.79170839   0.11771730
 20
 Energy -18491.18397901 Gradient 0.00006061
 C  -2.84173481  -2.04227892   0.27934569
 C  -2.56263531   0.28897314  -0.42022472
 C  -3.37538267  -0.74906514  -0.08331924
 C  -1.12091882   0.09500680  -0.43944338
 C  -1.51350877  -2.21037177   0.48739833
 C  -0.58468187  -1.06801928   0.34744126
 H  -3.53188196  -2.87687347   0.42283216
 H  -2.96590775   1.25639545  -0.72483213
 H  -4.46008594  -0.61254570  -0.08915940
 H  -0.48807006   0.98794759  -0.40589099
 H  -1.10046315  -3.16597818   0.81682580
 H   0.43910876  -1.33652151   0.06184088
Br  -0.31072437  -0.29539532   2.22382207
Al   4.29394964   1.88792895   0.32097741
Br   4.40756645   0.80491515  -1.99376297
Br   2.00906914   0.11261477  -2.33693575
Br  -0.67040663  -0.45826527  -2.54103862
Br   4.04960935   0.14261025   1.79077196
Br   2.51641323   3.34058060   0.20743190
Br   6.41081516   2.78258646   0.12352545
 20
 Energy -18491.18402279 Gradient 0.00005921
 C  -2.82420604  -2.06521730   0.28536131
 C  -2.57270296   0.26548799  -0.42631211
 C  -3.37318852  -0.78089830  -0.08583289
 C  -1.12854461   0.08969672  -0.44076277
 C  -1.49449516  -2.21529838   0.49781608
 C  -0.57984995  -1.06202346   0.35408937
 H  -3.50410262  -2.90770469   0.43166440
 H  -2.98740129   1.22599189  -0.73743050
 H  -4.45951589  -0.65813234  -0.09535752
 H  -0.50706826   0.99064933  -0.41068849
 H  -1.07023864  -3.16376185   0.83363689
 H   0.44829767  -1.31891036   0.07335242
Br  -0.32204595  -0.27513598   2.22693957
Al   4.29540705   1.88657285   0.32000832
Br   4.40575896   0.81800868  -2.00100454
Br   2.00877160   0.11676431  -2.33776314
Br  -0.66749075  -0.46961208  -2.53830962
Br   4.04154518   0.13228815   1.77766551
Br   2.52476372   3.34805577   0.21497504
Br   6.41625857   2.77336213   0.12946816
 20
 Energy -18491.1840688 Gradient 0.00005832
 C  -2.80440723  -2.08889749   0.29130924
 C  -2.58285454   0.24126867  -0.43193584
 C  -3.36987830  -0.81415235  -0.08792239
 C  -1.13638980   0.08492787  -0.44219749
 C  -1.47332247  -2.21967620   0.50789559
 C  -0.57411997  -1.05483440   0.36032328
 H  -3.47312281  -2.93980250   0.44033576
 H  -3.00982908   1.19439368  -0.74906427
 H  -4.45773776  -0.70621619  -0.10069156
 H  -0.52712108   0.99423562  -0.41585200
 H  -1.03702199  -3.16043626   0.84982518
 H   0.45836844  -1.29898473   0.08416610
Br  -0.33291417  -0.25406929   2.22959250
Al   4.29655353   1.88525110   0.31918432
Br   4.40388575   0.83033568  -2.00756373
Br   2.00837483   0.12031859  -2.33843977
Br  -0.66485716  -0.47993433  -2.53588696
Br   4.03307680   0.12206726   1.76471628
Br   2.53283197   3.35530698   0.22227229
Br   6.42147454   2.76388041   0.13539516
 20
 Energy -18491.18410847 Gradient 0.00005779
 C  -2.78345105  -2.11279460   0.29806846
 C  -2.59279282   0.21628561  -0.43730930
 C  -3.36581438  -0.84813524  -0.08924105
 C  -1.14424663   0.07987093  -0.44384496
 C  -1.45113407  -2.22382991   0.51823047
 C  -0.56790580  -1.04737530   0.36626512
 H  -3.44056500  -2.97213920   0.45030529
 H  -3.03227739   1.16163955  -0.76057553
 H  -4.45504555  -0.75543318  -0.10489381
 H  -0.54772678   0.99763031  -0.42127484
 H  -1.00252701  -3.15656280   0.86624266
 H   0.46872298  -1.27850099   0.09412316
Br  -0.34307696  -0.23257057   2.23156083
Al   4.29747567   1.88328692   0.31833293
Br   4.40195292   0.84184736  -2.01402826
Br   2.00768916   0.12450612  -2.33933446
Br  -0.66237853  -0.48965308  -2.53358756
Br   4.02467460   0.11214237   1.75254187
Br   2.54057537   3.36215956   0.22946795
Br   6.42623021   2.75411663   0.14132765
 20
 Energy -18491.18415939 Gradient 0.00005802
 C  -2.76119009  -2.13710353   0.30550411
 C  -2.60263065   0.19044250  -0.44222964
 C  -3.36091851  -0.88310572  -0.08979049
 C  -1.15223875   0.07472559  -0.44550659
 C  -1.42784728  -2.22772665   0.52878332
 C  -0.56131917  -1.03959115   0.37193865
 H  -3.40616499  -3.00496786   0.46121339
 H  -3.05506951   1.12760960  -0.77140350
 H  -4.45133218  -0.80614070  -0.10791332
 H  -0.56881203   1.00089073  -0.42676839
 H  -0.96653625  -3.15195497   0.88277044
 H   0.47922762  -1.25718427   0.10346885
Br  -0.35265706  -0.21079211   2.23301228
Al   4.29824842   1.88108944   0.31767946
Br   4.39975698   0.85333885  -2.02038433
Br   2.00663197   0.12936110  -2.34068049
Br  -0.66013433  -0.49897654  -2.53149222
Br   4.01643612   0.10240417   1.74082150
Br   2.54810027   3.36820291   0.23694227
Br   6.43078773   2.74402465   0.14721609
 20
 Energy -18491.1842 Gradient 0.00005672
 C  -2.73705027  -2.16152075   0.31308139
 C  -2.61204319   0.16410340  -0.44680019
 C  -3.35481893  -0.91877126  -0.08978846
 C  -1.16005576   0.06989798  -0.44742799
 C  -1.40282692  -2.23100773   0.53886015
 C  -0.55385100  -1.03091095   0.37701000
 H  -3.36922684  -3.03809438   0.47249878
 H  -3.07788199   1.09263355  -0.78171721
 H  -4.44623123  -0.85819237  -0.10998711
 H  -0.59065659   1.00476831  -0.43310863
 H  -0.92833358  -3.14633083   0.89855924
 H   0.49049937  -1.23421712   0.11184083
Br  -0.36177734  -0.18871604   2.23390833
Al   4.29889042   1.87917000   0.31728079
Br   4.39712713   0.86473393  -2.02624089
Br   2.00535613   0.13353640  -2.34152714
Br  -0.65822462  -0.50776755  -2.52989834
Br   4.00818789   0.09273121   1.72948169
Br   2.55527908   3.37402539   0.24442060
Br   6.43523725   2.73384977   0.15274499
 20
 Energy -18491.18425362 Gradient 0.00005746
 C  -2.71165433  -2.18643305   0.32138838
 C  -2.62160483   0.13668630  -0.45096476
 C  -3.34801602  -0.95563142  -0.08905882
 C  -1.16832940   0.06491466  -0.44926019
 C  -1.37681639  -2.23400502   0.54924820
 C  -0.54627750  -1.02187793   0.38188613
 H  -3.33038368  -3.07180629   0.48478834
 H  -3.10131946   1.05610372  -0.79141941
 H  -4.44019999  -0.91201044  -0.11096280
 H  -0.61355325   1.00852895  -0.43907442
 H  -0.88865822  -3.13984821   0.91458450
 H   0.50161142  -1.21038000   0.11960926
Br  -0.37035930  -0.16631556   2.23431236
Al   4.29932767   1.87677887   0.31686043
Br   4.39462023   0.87527072  -2.03178581
Br   2.00378936   0.13809373  -2.34288293
Br  -0.65648527  -0.51592914  -2.52837569
Br   4.00009055   0.08323018   1.71831802
Br   2.56228420   3.37946107   0.25205570
Br   6.43917549   2.72395067   0.15835978
 20
 Energy -18491.18429754 Gradient 0.00005830
 C  -2.68526769  -2.21075128   0.32983152
 C  -2.63048501   0.10940271  -0.45468795
 C  -3.34021822  -0.99227434  -0.08790845
 C  -1.17627054   0.06020362  -0.45097749
 C  -1.35013027  -2.23622843   0.55964393
 C  -0.53837766  -1.01220250   0.38675642
 H  -3.29033461  -3.10479989   0.49720870
 H  -3.12411207   1.01933400  -0.80066469
 H  -4.43292756  -0.96586652  -0.11142445
 H  -0.63587745   1.01211230  -0.44563019
 H  -0.84836279  -3.13235836   0.93048001
 H   0.51283533  -1.18566552   0.12714999
Br  -0.37894224  -0.14357937   2.23462668
Al   4.29960279   1.87445185   0.31658938
Br   4.39225895   0.88527753  -2.03706833
Br   2.00230061   0.14264263  -2.34457773
Br  -0.65487707  -0.52362533  -2.52701032
Br   3.99184610   0.07382321   1.70735733
Br   2.56896254   3.38416200   0.25947956
Br   6.44288699   2.71397956   0.16408389
 20
 Energy -18491.18434611 Gradient 0.00005728
 C  -2.65741285  -2.23467757   0.33824113
 C  -2.63883841   0.08201297  -0.45802165
 C  -3.33130492  -1.02898851  -0.08631785
 C  -1.18403852   0.05593796  -0.45274835
 C  -1.32227917  -2.23758153   0.56954417
 C  -0.52998025  -1.00169996   0.39114019
 H  -3.24824359  -3.13743488   0.50958137
 H  -3.14656376   0.98221553  -0.80905135
 H  -4.42426856  -1.02011191  -0.11096849
 H  -0.65904574   1.01636244  -0.45212023
 H  -0.80663713  -3.12363792   0.94549565
 H   0.52436095  -1.15956479   0.13402418
Br  -0.38738411  -0.12059810   2.23455323
Al   4.29971780   1.87185219   0.31621920
Br   4.38978540   0.89495724  -2.04223141
Br   2.00075055   0.14686641  -2.34588987
Br  -0.65316660  -0.53085090  -2.52576836
Br   3.98356582   0.06445128   1.69680834
Br   2.57510237   3.38851234   0.26661206
Br   6.44634631   2.70395824   0.16976389
 20
 Energy -18491.18439038 Gradient 0.00005795
 C  -2.62837852  -2.25847167   0.34728123
 C  -2.64669662   0.05416839  -0.46058881
 C  -3.32137673  -1.06608555  -0.08382790
 C  -1.19166272   0.05158379  -0.45428842
 C  -1.29352808  -2.23851827   0.57959864
 C  -0.52116628  -0.99091719   0.39540905
 H  -3.20464339  -3.16980996   0.52284179
 H  -3.16870502   0.94422658  -0.81647341
 H  -4.41432202  -1.07505270  -0.10930696
 H  -0.68237197   1.02036068  -0.45842703
 H  -0.76386854  -3.11412322   0.96053783
 H   0.53595721  -1.13297751   0.14021590
Br  -0.39519328  -0.09770208   2.23419272
Al   4.29980244   1.86900690   0.31565137
Br   4.38722535   0.90409545  -2.04731477
Br   1.99882030   0.15109716  -2.34735936
Br  -0.65196292  -0.53718066  -2.52471056
Br   3.97522156   0.05499810   1.68606846
Br   2.58130959   3.39256945   0.27392655
Br   6.44947045   2.69413789   0.17564579
 20
 Energy -18491.18443816 Gradient 0.00005854
 C  -2.59939919  -2.28116879   0.35705442
 C  -2.65373977   0.02674219  -0.46278114
 C  -3.31084213  -1.10217772  -0.08070524
 C  -1.19892495   0.04712562  -0.45558644
 C  -1.26519115  -2.23884407   0.59015804
 C  -0.51255854  -0.98027045   0.39972440
 H  -3.16125939  -3.20059330   0.53698109
 H  -3.18956791   0.90655985  -0.82360087
 H  -4.40348786  -1.12857093  -0.10688248
 H  -0.70432462   1.02339592  -0.46486130
 H  -0.72198012  -3.10392149   0.97601673
 H   0.54705737  -1.10683799   0.14642006
Br  -0.40262790  -0.07444796   2.23350045
Al   4.29958658   1.86598889   0.31506655
Br   4.38474731   0.91298814  -2.05238523
Br   1.99690481   0.15549805  -2.34897664
Br  -0.65044311  -0.54352068  -2.52366393
Br   3.96673878   0.04528963   1.67516705
Br   2.58707243   3.39627369   0.28126076
Br   6.45229945   2.68423911   0.18173912
 20
 Energy -18491.18449266 Gradient 0.00005791
 C  -2.56812564  -2.30237650   0.36701166
 C  -2.65881283   0.00065642  -0.46311238
 C  -3.29808447  -1.13695513  -0.07622053
 C  -1.20469507   0.04408059  -0.45569756
 C  -1.23476438  -2.23767395   0.60019202
 C  -0.50222569  -0.96815982   0.40412602
 H  -3.11532055  -3.22979817   0.55111594
 H  -3.20850320   0.87010415  -0.82815185
 H  -4.39016076  -1.18088238  -0.10276390
 H  -0.72529315   1.02771877  -0.47119171
 H  -0.67793436  -3.09211311   0.99033281
 H   0.55965997  -1.07860566   0.15257872
Br  -0.40939714  -0.05131225   2.23348032
Al   4.29903964   1.86261927   0.31449165
Br   4.38187987   0.92179171  -2.05737892
Br   1.99458654   0.15970235  -2.35141259
Br  -0.64949705  -0.54980773  -2.52304503
Br   3.95807755   0.03542626   1.66416779
Br   2.59229321   3.39945034   0.28842220
Br   6.45472095   2.67408427   0.18792506
 20
 Energy -18491.18453179 Gradient 0.00005787
 C  -2.53612161  -2.32430605   0.37717979
 C  -2.66546211  -0.02719215  -0.46408665
 C  -3.28554318  -1.17341068  -0.07142844
 C  -1.21222178   0.04041318  -0.45731430
 C  -1.20401860  -2.23612567   0.60990635
 C  -0.49285653  -0.95549819   0.40774478
 H  -3.06764260  -3.25988828   0.56576580
 H  -3.22965672   0.83122890  -0.83311496
 H  -4.37674897  -1.23562202  -0.09726071
 H  -0.74965967   1.03199289  -0.47736429
 H  -0.63290147  -3.07921314   1.00406140
 H   0.57091822  -1.04942041   0.15707649
Br  -0.41573713  -0.02872890   2.23283290
Al   4.29836680   1.85920811   0.31386186
Br   4.37923432   0.93034785  -2.06247568
Br   1.99259533   0.16416332  -2.35335454
Br  -0.64820291  -0.55453574  -2.52137916
Br   3.94938065   0.02561080   1.65331435
Br   2.59713544   3.40206926   0.29520183
Br   6.45685304   2.66407162   0.19397830
 20
 Energy -18491.18458027 Gradient 0.00006115
 C  -2.50471081  -2.34668193   0.38767410
 C  -2.67226773  -0.05662102  -0.46606994
 C  -3.27312863  -1.21112202  -0.06766753
 C  -1.22039549   0.03564651  -0.45868692
 C  -1.17440253  -2.23477807   0.62058012
 C  -0.48464722  -0.94357913   0.41159057
 H  -3.02054248  -3.29002600   0.58116712
 H  -3.25072104   0.79012267  -0.83996499
 H  -4.36310260  -1.29194674  -0.09389153
 H  -0.77449270   1.03467036  -0.48338498
 H  -0.58935147  -3.06593392   1.01962557
 H   0.58069159  -1.02127729   0.16169769
Br  -0.42315803  -0.00565569   2.23143939
Al   4.29774094   1.85591800   0.31350191
Br   4.37743516   0.93879062  -2.06719207
Br   1.99126840   0.16894338  -2.35455769
Br  -0.64639821  -0.55922475  -2.51991557
Br   3.94073068   0.01607367   1.64265924
Br   2.60165160   3.40430219   0.30147615
Br   6.45893470   2.65427859   0.20013341
 20
 Energy -18491.18462913 Gradient 0.00006018
 C  -2.47148310  -2.36773310   0.39816624
 C  -2.67710434  -0.08502840  -0.46686911
 C  -3.25866480  -1.24752888  -0.06297712
 C  -1.22704040   0.03150009  -0.45968650
 C  -1.14329554  -2.23231922   0.63086041
 C  -0.47519536  -0.93089317   0.41544874
 H  -2.97143048  -3.31862997   0.59625951
 H  -3.26957523   0.75007256  -0.84500234
 H  -4.34712841  -1.34671113  -0.08904005
 H  -0.79804152   1.03769519  -0.48974064
 H  -0.54446961  -3.05147265   1.03426985
 H   0.59161951  -0.99192144   0.16686787
Br  -0.43099261   0.01762561   2.23045652
Al   4.29701159   1.85255348   0.31297638
Br   4.37535645   0.94699718  -2.07173466
Br   1.98966407   0.17325312  -2.35642039
Br  -0.64476168  -0.56446619  -2.51908918
Br   3.93192148   0.00665664   1.63214213
Br   2.60600497   3.40636622   0.30765391
Br   6.46084524   2.64458794   0.20666685
 20
 Energy -18491.18467889 Gradient 0.00006135
 C  -2.43810465  -2.38795591   0.40918554
 C  -2.68154030  -0.11343018  -0.46750465
 C  -3.24372634  -1.28347703  -0.05778465
 C  -1.23371263   0.02725413  -0.46063652
 C  -1.11238842  -2.22917156   0.64139371
 C  -0.46597629  -0.91798932   0.41923955
 H  -2.92218393  -3.34601666   0.61215173
 H  -3.28784656   0.70967601  -0.84997103
 H  -4.33038016  -1.40093061  -0.08356473
 H  -0.82111771   1.04004716  -0.49620227
 H  -0.50004396  -3.03609029   1.04914111
 H   0.60188101  -0.96263951   0.17133119
Br  -0.43839885   0.04093364   2.22908735
Al   4.29603247   1.84904737   0.31234126
Br   4.37332568   0.95504125  -2.07642813
Br   1.98812672   0.17744344  -2.35843711
Br  -0.64281363  -0.56957454  -2.51793554
Br   3.92282622  -0.00278371   1.62144888
Br   2.61013934   3.40829893   0.31388714
Br   6.46239484   2.63488257   0.21349378
 20
 Energy -18491.18472436 Gradient 0.00006038
 C  -2.40413183  -2.40754104   0.42065980
 C  -2.68548471  -0.14194402  -0.46771551
 C  -3.22804431  -1.31919964  -0.05208766
 C  -1.24025597   0.02299761  -0.46150426
 C  -1.08127632  -2.22530021   0.65211560
 C  -0.45677455  -0.90477325   0.42297905
 H  -2.87208333  -3.37251035   0.62862920
 H  -3.30547611   0.66895096  -0.85432967
 H  -4.31257725  -1.45495305  -0.07730452
 H  -0.84512536   1.04247224  -0.50244006
 H  -0.45549347  -3.01962430   1.06416967
 H   0.61188493  -0.93303430   0.17570771
Br  -0.44564074   0.06428403   2.22768146
Al   4.29511099   1.84545477   0.31146345
Br   4.37111143   0.96291901  -2.08124728
Br   1.98648517   0.18149322  -2.36046626
Br  -0.64107595  -0.57479312  -2.51679820
Br   3.91391923  -0.01212505   1.61077559
Br   2.61422883   3.40994916   0.32036809
Br   6.46376971   2.62546615   0.22005427
 20
 Energy -18491.1847717 Gradient 0.00006159
 C  -2.36902836  -2.42684979   0.43286608
 C  -2.68905874  -0.17097403  -0.46702354
 C  -3.21143068  -1.35518917  -0.04515188
 C  -1.24692398   0.01842615  -0.46225859
 C  -1.04933911  -2.22085888   0.66297147
 C  -0.44739169  -0.89120611   0.42657164
 H  -2.82043474  -3.39852434   0.64610831
 H  -3.32291848   0.62724584  -0.85750114
 H  -4.29351366  -1.50945004  -0.06924085
 H  -0.86909803   1.04414718  -0.50894560
 H  -0.40998398  -3.00216876   1.07905441
 H   0.62167587  -0.90275367   0.17942606
Br  -0.45272904   0.08768137   2.22598931
Al   4.29421294   1.84192575   0.31071276
Br   4.36869451   0.97060088  -2.08600249
Br   1.98455574   0.18543754  -2.36254557
Br  -0.63961836  -0.57993099  -2.51555578
Br   3.90532936  -0.02130113   1.60020354
Br   2.61813646   3.41138786   0.32683800
Br   6.46506621   2.61623365   0.22615898
 20
 Energy -18491.18483145 Gradient 0.00006141
 C  -2.33331736  -2.44554816   0.44535947
 C  -2.69176518  -0.19983224  -0.46546349
 C  -3.19383080  -1.39075812  -0.03763608
 C  -1.25317371   0.01416362  -0.46224195
 C  -1.01717573  -2.21601772   0.67370289
 C  -0.43783148  -0.87775706   0.42999296
 H  -2.76810222  -3.42362405   0.66379190
 H  -3.33931048   0.58556346  -0.85948964
 H  -4.27316168  -1.56342137  -0.06056018
 H  -0.89269434   1.04575594  -0.51475684
 H  -0.36440642  -2.98415913   1.09345877
 H   0.63135794  -0.87269866   0.18277588
Br  -0.45924626   0.11062529   2.22431909
Al   4.29286433   1.83848336   0.31015391
Br   4.36649419   0.97859862  -2.09042292
Br   1.98274834   0.18960803  -2.36467823
Br  -0.63819845  -0.58464588  -2.51450233
Br   3.89616422  -0.03070623   1.58926742
Br   2.62152917   3.41273665   0.33253775
Br   6.46619277   2.60648407   0.23285819
 20
 Energy -18491.1848739 Gradient 0.00006277
 C  -2.29744556  -2.46336944   0.45777675
 C  -2.69369672  -0.22878033  -0.46466726
 C  -3.17561712  -1.42580486  -0.03054242
 C  -1.25902108   0.00931552  -0.46258481
 C  -0.98529317  -2.21055447   0.68466703
 C  -0.42844967  -0.86414061   0.43374380
 H  -2.71570639  -3.44744988   0.68145540
 H  -3.35444110   0.54354257  -0.86261036
 H  -4.25188595  -1.61673931  -0.05241864
 H  -0.91585934   1.04646303  -0.52063952
 H  -0.31962046  -2.96539639   1.10827543
 H   0.64060094  -0.84264528   0.18639406
Br  -0.46586376   0.13327111   2.22273672
Al   4.29127412   1.83484721   0.30933010
Br   4.36445536   0.98667068  -2.09503974
Br   1.98120054   0.19399750  -2.36695486
Br  -0.63616745  -0.58920768  -2.51322474
Br   3.88647378  -0.04001875   1.57821650
Br   2.62467194   3.41394502   0.33814529
Br   6.46699987   2.59645183   0.24005828
 20
 Energy -18491.18492507 Gradient 0.00006250
 C  -2.26156891  -2.48015681   0.47051780
 C  -2.69487752  -0.25717994  -0.46333952
 C  -3.15682038  -1.45987846  -0.02301714
 C  -1.26446037   0.00463947  -0.46270139
 C  -0.95375653  -2.20446350   0.69572108
 C  -0.41919547  -0.85049342   0.43741626
 H  -2.66343986  -3.46983453   0.69945494
 H  -3.36841968   0.50201844  -0.86506340
 H  -4.22977886  -1.66874019  -0.04373029
 H  -0.93837152   1.04687992  -0.52668155
 H  -0.27553343  -2.94588362   1.12311122
 H   0.64947624  -0.81293160   0.19000823
Br  -0.47292251   0.15607632   2.22097495
Al   4.28961898   1.83109008   0.30833526
Br   4.36252052   0.99483209  -2.09977862
Br   1.97976449   0.19830021  -2.36936734
Br  -0.63383597  -0.59433629  -2.51200133
Br   3.87667084  -0.04933974   1.56708170
Br   2.62781067   3.41495419   0.34404836
Br   6.46765873   2.58651554   0.24734688
 20
 Energy -18491.18497456 Gradient 0.00006225
 C  -2.22562707  -2.49591761   0.48375803
 C  -2.69546741  -0.28507564  -0.46120892
 C  -3.13755588  -1.49295215  -0.01446936
 C  -1.26964500  -0.00011027  -0.46277876
 C  -0.92234947  -2.19772019   0.70679404
 C  -0.40998039  -0.83671576   0.44084226
 H  -2.61123222  -3.49078435   0.71813980
 H  -3.38158997   0.46092919  -0.86635557
 H  -4.20699247  -1.71931363  -0.03348002
 H  -0.96030713   1.04678647  -0.53288570
 H  -0.23184206  -2.92566486   1.13768560
 H   0.65798626  -0.78346168   0.19290515
Br  -0.47956944   0.17876261   2.21888702
Al   4.28792875   1.82728359   0.30746021
Br   4.36048365   1.00317105  -2.10448669
Br   1.97831645   0.20247680  -2.37188482
Br  -0.63155340  -0.59963310  -2.51075654
Br   3.86677404  -0.05881640   1.55565764
Br   2.63078388   3.41579687   0.34995320
Br   6.46814059   2.57661902   0.25490755
 20
 Energy -18491.18502681 Gradient 0.00006105
 C  -2.18981606  -2.51064156   0.49729641
 C  -2.69530217  -0.31255999  -0.45909737
 C  -3.11779344  -1.52510239  -0.00586579
 C  -1.27436959  -0.00475943  -0.46261734
 C  -0.89136446  -2.19041864   0.71810366
 C  -0.40079259  -0.82300496   0.44433243
 H  -2.55936131  -3.51025502   0.73723752
 H  -3.39351659   0.42031560  -0.86758344
 H  -4.18348005  -1.76864988  -0.02324023
 H  -0.98170898   1.04645340  -0.53882597
 H  -0.18903416  -2.90478103   1.15257936
 H   0.66617747  -0.75450074   0.19556715
Br  -0.48562495   0.20128865   2.21669333
Al   4.28605238   1.82340177   0.30650810
Br   4.35830291   1.01147946  -2.10926490
Br   1.97676692   0.20663853  -2.37447341
Br  -0.62923445  -0.60488903  -2.50951690
Br   3.85674650  -0.06834631   1.54411189
Br   2.63357291   3.41645314   0.35591778
Br   6.46843350   2.56666328   0.26266494
 20
 Energy -18491.18507629 Gradient 0.00006067
 C  -2.15389688  -2.52437037   0.51104992
 C  -2.69452693  -0.33948389  -0.45631062
 C  -3.09756495  -1.55628681   0.00341969
 C  -1.27880565  -0.00937077  -0.46238193
 C  -0.86049625  -2.18248141   0.72922735
 C  -0.39160722  -0.80908870   0.44763159
 H  -2.50747986  -3.52840016   0.75659042
 H  -3.40454252   0.37999578  -0.86821221
 H  -4.15929013  -1.81668895  -0.01203599
 H  -1.00267064   1.04578683  -0.54471200
 H  -0.14661236  -2.88329775   1.16695592
 H   0.67416299  -0.72557129   0.19790066
Br  -0.49132707   0.22350690   2.21441313
Al   4.28424428   1.81925017   0.30535384
Br   4.35622198   1.01974560  -2.11416489
Br   1.97520735   0.21076037  -2.37710979
Br  -0.62679619  -0.60994158  -2.50824771
Br   3.84651862  -0.07811483   1.53215042
Br   2.63608699   3.41660028   0.36173227
Br   6.46839164   2.55717682   0.27107763
 20
 Energy -18491.18512416 Gradient 0.00006103
 C  -2.11842377  -2.53693317   0.52535260
 C  -2.69298117  -0.36578033  -0.45342882
 C  -3.07700044  -1.58626643   0.01299645
 C  -1.28264835  -0.01396685  -0.46198761
 C  -0.83025528  -2.17406006   0.74079469
 C  -0.38245489  -0.79542315   0.45100161
 H  -2.45646061  -3.54484999   0.77670960
 H  -3.41422685   0.34055299  -0.86859489
 H  -4.13460844  -1.86302115  -0.00044991
 H  -1.02276274   1.04478164  -0.55036331
 H  -0.10537711  -2.86132885   1.18189527
 H   0.68194342  -0.69736378   0.20038637
Br  -0.49677370   0.24555725   2.21209398
Al   4.28214808   1.81516927   0.30426969
Br   4.35426749   1.02808188  -2.11909219
Br   1.97388748   0.21488362  -2.37988532
Br  -0.62413166  -0.61510070  -2.50692068
Br   3.83624310  -0.08804849   1.51986773
Br   2.63812610   3.41641436   0.36730711
Br   6.46802718   2.54782619   0.27990023
 20
 Energy -18491.18517298 Gradient 0.00006113
 C  -2.08275809  -2.54869752   0.53981882
 C  -2.69088945  -0.39177916  -0.45012146
 C  -3.05596965  -1.61559555   0.02298730
 C  -1.28630527  -0.01850285  -0.46142098
 C  -0.80012062  -2.16497775   0.75234642
 C  -0.37339893  -0.78145715   0.45434644
 H  -2.40522854  -3.56024219   0.79705053
 H  -3.42325329   0.30119939  -0.86832785
 H  -4.10925010  -1.90849692   0.01167323
 H  -1.04252490   1.04347230  -0.55606490
 H  -0.06446812  -2.83857439   1.19672514
 H   0.68939127  -0.66918634   0.20248305
Br  -0.50199375   0.26765368   2.20967446
Al   4.27976479   1.81100785   0.30317788
Br   4.35240082   1.03653142  -2.12393493
Br   1.97269269   0.21895826  -2.38278291
Br  -0.62120318  -0.62032422  -2.50550407
Br   3.82582273  -0.09791537   1.50762245
Br   2.63977268   3.41610717   0.37283695
Br   6.46739859   2.53805905   0.28859790
 20
 Energy -18491.18522915 Gradient 0.00006026
 C  -2.04655076  -2.55953345   0.55486013
 C  -2.68800190  -0.41753567  -0.44649335
 C  -3.03410627  -1.64423534   0.03366420
 C  -1.28940950  -0.02296956  -0.46086030
 C  -0.76967974  -2.15517126   0.76404043
 C  -0.36405425  -0.76723336   0.45765589
 H  -2.35344168  -3.57435833   0.81810470
 H  -3.43116321   0.26193062  -0.86784917
 H  -4.08284949  -1.95309381   0.02481512
 H  -1.06171931   1.04194074  -0.56197531
 H  -0.02342238  -2.81492940   1.21146986
 H   0.69694588  -0.64078014   0.20466598
Br  -0.50714821   0.29008839   2.20707070
Al   4.27693773   1.80680230   0.30192271
Br   4.35059043   1.04487403  -2.12871173
Br   1.97161385   0.22288554  -2.38579794
Br  -0.61815412  -0.62585600  -2.50409714
Br   3.81554098  -0.10737745   1.49601540
Br   2.64081459   3.41546158   0.37797706
Br   6.46647986   2.52798212   0.29707025
 20
 Energy -18491.18527017 Gradient 0.00005771
 C  -2.01107410  -2.56956066   0.57066798
 C  -2.68500512  -0.44315454  -0.44263295
 C  -3.01241646  -1.67220177   0.04483008
 C  -1.29272469  -0.02776438  -0.46019457
 C  -0.74021598  -2.14493145   0.77641110
 C  -0.35540317  -0.75317536   0.46103339
 H  -2.30265223  -3.58724352   0.84020609
 H  -3.43866885   0.22256369  -0.86726218
 H  -4.05643229  -1.99673237   0.03846192
 H  -1.08092487   1.03971913  -0.56789548
 H   0.01627981  -2.79067080   1.22711038
 H   0.70355151  -0.61332163   0.20624052
Br  -0.51114162   0.31313729   2.20409598
Al   4.27397710   1.80265041   0.30080200
Br   4.34868852   1.05332593  -2.13325030
Br   1.97051054   0.22660591  -2.38877025
Br  -0.61503672  -0.63175823  -2.50260003
Br   3.80498477  -0.11697418   1.48405001
Br   2.64165816   3.41480441   0.38325559
Br   6.46541011   2.51763614   0.30533621
 20
 Energy -18491.18530835 Gradient 0.00005626
 C  -1.97525898  -2.57819958   0.58648220
 C  -2.68099631  -0.46757305  -0.43823475
 C  -2.98995862  -1.69857571   0.05647771
 C  -1.29513381  -0.03206133  -0.45929040
 C  -0.71043701  -2.13398858   0.78838331
 C  -0.34607024  -0.73874148   0.46431186
 H  -2.25177771  -3.59841154   0.86226402
 H  -3.44465835   0.18464544  -0.86591527
 H  -4.02914210  -2.03832165   0.05290287
 H  -1.09875470   1.03762587  -0.57386136
 H   0.05592013  -2.76595574   1.24194080
 H   0.71069495  -0.58552136   0.20774009
Br  -0.51581606   0.33552485   2.20108201
Al   4.27156801   1.79833433   0.29972405
Br   4.34632991   1.06169610  -2.13810406
Br   1.96914881   0.23016743  -2.39179094
Br  -0.61189962  -0.63780620  -2.50105799
Br   3.79413192  -0.12688309   1.47146250
Br   2.64318409   3.41405626   0.38924369
Br   6.46447575   2.50784313   0.31373385
 20
 Energy -18491.1853559 Gradient 0.00005639
 C  -1.93822878  -2.58684271   0.60169741
 C  -2.67675782  -0.49259822  -0.43351824
 C  -2.96656063  -1.72556952   0.06810023
 C  -1.29791127  -0.03634642  -0.45830084
 C  -0.68005134  -2.12239090   0.79974440
 C  -0.33710549  -0.72374048   0.46740870
 H  -2.19901690  -3.60956378   0.88341743
 H  -3.45078506   0.14562063  -0.86372219
 H  -4.00049415  -2.08099651   0.06744304
 H  -1.11759521   1.03535904  -0.57965013
 H   0.09641885  -2.73998985   1.25589915
 H   0.71718978  -0.55653380   0.20915021
Br  -0.52163167   0.35759380   2.19832539
Al   4.26901217   1.79395403   0.29820698
Br   4.34410955   1.07006377  -2.14313002
Br   1.96758770   0.23367441  -2.39475060
Br  -0.60862288  -0.64350274  -2.49948585
Br   3.78426772  -0.13648806   1.45927978
Br   2.64453994   3.41314550   0.39515961
Br   6.46346323   2.49795340   0.32193628
 20
 Energy -18491.18539612 Gradient 0.00005519
 C  -1.90183777  -2.59515948   0.61730175
 C  -2.67266944  -0.51788226  -0.42869384
 C  -2.94338809  -1.75243446   0.07994407
 C  -1.30108654  -0.04105352  -0.45716494
 C  -0.65055565  -2.11073924   0.81142756
 C  -0.32880013  -0.70918903   0.47048983
 H  -2.14700056  -3.62006972   0.90505451
 H  -3.45667707   0.10627056  -0.86144961
 H  -3.97187444  -2.12332761   0.08222416
 H  -1.13677208   1.03243121  -0.58512177
 H   0.13569455  -2.71392319   1.27012807
 H   0.72282453  -0.52842600   0.21017443
Br  -0.52699133   0.37970362   2.19526972
Al   4.26658633   1.78965849   0.29706446
Br   4.34190933   1.07859431  -2.14783419
Br   1.96639134   0.23745063  -2.39771940
Br  -0.60568978  -0.64911186  -2.49784219
Br   3.77463144  -0.14618938   1.44699738
Br   2.64558770   3.41188882   0.40091822
Br   6.46247739   2.48802103   0.32999179
 20
 Energy -18491.18544184 Gradient 0.00005359
 C  -1.86513028  -2.60266197   0.63320221
 C  -2.66813084  -0.54309057  -0.42363920
 C  -2.91968042  -1.77880021   0.09222009
 C  -1.30418735  -0.04578723  -0.45610764
 C  -0.62102691  -2.09833898   0.82299974
 C  -0.32060352  -0.69430808   0.47327491
 H  -2.09458683  -3.62940836   0.92725097
 H  -3.46203361   0.06661875  -0.85894386
 H  -3.94246427  -2.16512108   0.09766697
 H  -1.15602865   1.02916540  -0.59077854
 H   0.17488313  -2.68674190   1.28423332
 H   0.72808507  -0.50011653   0.21058793
Br  -0.53243240   0.40170723   2.19193355
Al   4.26418305   1.78519266   0.29583372
Br   4.33964671   1.08707682  -2.15247300
Br   1.96480312   0.24122175  -2.40058844
Br  -0.60261735  -0.65461931  -2.49632828
Br   3.76544208  -0.15599085   1.43471786
Br   2.64645112   3.41015857   0.40696820
Br   6.46140471   2.47837673   0.33794955
 20
 Energy -18491.18547972 Gradient 0.00005137
 C  -1.82798684  -2.60982320   0.64882463
 C  -2.66326674  -0.56852943  -0.41861484
 C  -2.89538322  -1.80522132   0.10429098
 C  -1.30745479  -0.05047405  -0.45480923
 C  -0.59147670  -2.08551719   0.83433509
 C  -0.31270800  -0.67924189   0.47602744
 H  -2.04150383  -3.63825357   0.94893836
 H  -3.46689141   0.02652176  -0.85637747
 H  -3.91214463  -2.20708494   0.11276676
 H  -1.17559944   1.02571222  -0.59615256
 H   0.21399545  -2.65901175   1.29777927
 H   0.73282893  -0.47147471   0.21092375
Br  -0.53830353   0.42381346   2.18854422
Al   4.26177252   1.78057113   0.29446262
Br   4.33730279   1.09568282  -2.15712024
Br   1.96318121   0.24503543  -2.40350722
Br  -0.59949912  -0.65983759  -2.49496012
Br   3.75702048  -0.16591202   1.42261742
Br   2.64703853   3.40797784   0.41346890
Br   6.46018960   2.46868280   0.34567950
 20
 Energy -18491.18553584 Gradient 0.00004834
 C  -1.79078821  -2.61599684   0.66410637
 C  -2.65818897  -0.59359361  -0.41368860
 C  -2.87078792  -1.83092107   0.11625167
 C  -1.31086310  -0.05496101  -0.45387461
 C  -0.56217346  -2.07179857   0.84506207
 C  -0.30510339  -0.66369319   0.47815187
 H  -1.98826554  -3.64578877   0.97043300
 H  -3.47136446  -0.01352346  -0.85387546
 H  -3.88127746  -2.24824868   0.12793546
 H  -1.19553957   1.02214800  -0.60199961
 H   0.25266906  -2.63003825   1.31073571
 H   0.73700191  -0.44240752   0.21021786
Br  -0.54424336   0.44543736   2.18485772
Al   4.25926991   1.77531159   0.29267507
Br   4.33539015   1.10410163  -2.16197975
Br   1.96174831   0.24903062  -2.40661611
Br  -0.59630354  -0.66473996  -2.49389251
Br   3.74815948  -0.17616714   1.41017164
Br   2.64787353   3.40556289   0.41964226
Br   6.45858944   2.45934288   0.35558074
 20
 Energy -18491.18555397 Gradient 0.00005193
 C  -1.75326970  -2.62193980   0.67943716
 C  -2.65292003  -0.61914763  -0.40880254
 C  -2.84571544  -1.85677862   0.12830560
 C  -1.31446539  -0.05988509  -0.45323109
 C  -0.53295738  -2.05780689   0.85570178
 C  -0.29789954  -0.64828562   0.47989835
 H  -1.93454097  -3.65283940   0.99200553
 H  -3.47559125  -0.05420384  -0.85106655
 H  -3.84961560  -2.28961263   0.14340541
 H  -1.21567334   1.01790826  -0.60794379
 H   0.29115524  -2.60051643   1.32343567
 H   0.74055407  -0.41368838   0.20898789
Br  -0.55027657   0.46754116   2.18039540
Al   4.25702330   1.77089974   0.29241382
Br   4.33322218   1.11234460  -2.16598784
Br   1.96039321   0.25302475  -2.40939661
Br  -0.59317564  -0.66961626  -2.49315278
Br   3.74003330  -0.18629042   1.39823184
Br   2.64791999   3.40277292   0.42573231
Br   6.45724087   2.44974756   0.36456330
 20
 Energy -18491.18560097 Gradient 0.00004435
 C  -1.71248913  -2.62882115   0.69586179
 C  -2.64818774  -0.64828777  -0.40321979
 C  -2.81870276  -1.88587655   0.14186094
 C  -1.32012086  -0.06593527  -0.45310693
 C  -0.50185276  -2.04225076   0.86560808
 C  -0.29141676  -0.63162583   0.48042203
 H  -1.87538652  -3.66060522   1.01549299
 H  -3.48144670  -0.10053791  -0.84729059
 H  -3.81507430  -2.33563984   0.16131953
 H  -1.24028965   1.01238133  -0.61466627
 H   0.33269955  -2.56741639   1.33491842
 H   0.74253194  -0.38228657   0.20538886
Br  -0.55715245   0.48976699   2.17516584
Al   4.25507780   1.76668272   0.29242145
Br   4.33055481   1.11981825  -2.16887991
Br   1.95871217   0.25662957  -2.41186714
Br  -0.59134595  -0.67460440  -2.49282525
Br   3.73375199  -0.19506600   1.38870861
Br   2.64788185   3.39985005   0.43232004
Br   6.45637348   2.44102039   0.37015688
 20
 Energy -18491.18562849 Gradient 0.00005197
 C  -1.66844313  -2.63650420   0.71177777
 C  -2.64322241  -0.67992504  -0.39649863
 C  -2.78934796  -1.91755015   0.15597676
 C  -1.32692807  -0.07297965  -0.45200544
 C  -0.46836889  -2.02665801   0.87484948
 C  -0.28486454  -0.61491165   0.48046485
 H  -1.81149671  -3.66914255   1.03805850
 H  -3.48760858  -0.15046866  -0.84172155
 H  -3.77709233  -2.38573659   0.18009625
 H  -1.26744378   1.00554860  -0.62038169
 H   0.37718574  -2.53324109   1.34491869
 H   0.74376179  -0.34935883   0.20062267
Br  -0.56451207   0.51116924   2.16988491
Al   4.25351016   1.76275380   0.29181830
Br   4.32754323   1.12587067  -2.17182232
Br   1.95584235   0.25965913  -2.41416336
Br  -0.59055647  -0.67877636  -2.49313369
Br   3.72877481  -0.20258066   1.38087433
Br   2.64832325   3.39726718   0.43861152
Br   6.45546884   2.43371930   0.37497317
 20
 Energy -18491.18564506 Gradient 0.00005321
 C  -1.62714548  -2.64210367   0.72697688
 C  -2.63594442  -0.70840384  -0.39074894
 C  -2.76054505  -1.94523780   0.16879678
 C  -1.33015733  -0.07999870  -0.45136135
 C  -0.43707863  -2.01171790   0.88547926
 C  -0.27781929  -0.59943632   0.48223829
 H  -1.75261423  -3.67518989   1.05906087
 H  -3.48972237  -0.19570663  -0.83766576
 H  -3.74023138  -2.42985057   0.19688892
 H  -1.28876075   0.99833979  -0.62602460
 H   0.41765437  -2.50119183   1.35704341
 H   0.74606522  -0.31949970   0.19897761
Br  -0.57308018   0.53361679   2.16434135
Al   4.25192894   1.75848074   0.29136204
Br   4.32414175   1.13313519  -2.17511321
Br   1.95318386   0.26300919  -2.41657774
Br  -0.58864557  -0.68406728  -2.49255729
Br   3.72401756  -0.21116455   1.37180923
Br   2.64854437   3.39401315   0.44594884
Br   6.45468902   2.42560101   0.37981444
 20
 Energy -18491.18567226 Gradient 0.00003749
 C  -1.58873251  -2.64453691   0.74294038
 C  -2.62953423  -0.73303964  -0.38383938
 C  -2.73377676  -1.96848961   0.18308731
 C  -1.33379060  -0.08531041  -0.45124953
 C  -0.40823577  -1.99486167   0.89533307
 C  -0.27166559  -0.58294406   0.48292324
 H  -1.69763984  -3.67742735   1.08141428
 H  -3.49213123  -0.23621331  -0.83174373
 H  -3.70583689  -2.46791681   0.21622850
 H  -1.30902434   0.99229369  -0.63318449
 H   0.45510004  -2.46783113   1.36805541
 H   0.74745080  -0.28966134   0.19600559
Br  -0.58136614   0.55647831   2.15824662
Al   4.25030946   1.75350738   0.29086306
Br   4.32059507   1.14191176  -2.17882869
Br   1.95090112   0.26636760  -2.41924317
Br  -0.58640605  -0.69082686  -2.49154169
Br   3.72004779  -0.22129401   1.36145801
Br   2.64878523   3.38984854   0.45539765
Br   6.45384517   2.41704899   0.38445774
 20
 Energy -18491.18569878 Gradient 0.00003533
 C  -1.55114512  -2.64670819   0.75972413
 C  -2.62345503  -0.75977489  -0.37899015
 C  -2.70728250  -1.99301230   0.19643456
 C  -1.33900499  -0.09120102  -0.45096027
 C  -0.38097697  -1.97720351   0.90604802
 C  -0.26723807  -0.56627984   0.48369430
 H  -1.64312050  -3.67883687   1.10545552
 H  -3.49445103  -0.28010916  -0.82935368
 H  -3.67113641  -2.50784902   0.23358321
 H  -1.33176671   0.98536223  -0.64021541
 H   0.49068291  -2.43285621   1.38051122
 H   0.74680239  -0.26006126   0.19232550
Br  -0.58990865   0.57954091   2.15208083
Al   4.24935886   1.74859801   0.29081385
Br   4.31680897   1.15041878  -2.18209980
Br   1.94833881   0.26953350  -2.42171163
Br  -0.58429071  -0.69692389  -2.49118362
Br   3.71734164  -0.23140877   1.35154819
Br   2.64904284   3.38510881   0.46507218
Br   6.45343533   2.40909680   0.38856620
 20
 Energy -18491.18571883 Gradient 0.00003274
 C  -1.51344426  -2.64852677   0.77569829
 C  -2.61733145  -0.78696449  -0.37475757
 C  -2.68038036  -2.01775142   0.20879116
 C  -1.34453176  -0.09760150  -0.45153156
 C  -0.35422828  -1.95899437   0.91643283
 C  -0.26377973  -0.54947019   0.48411445
 H  -1.58828353  -3.67963913   1.12851696
 H  -3.49649425  -0.32478635  -0.82753989
 H  -3.63556739  -2.54821461   0.24981263
 H  -1.35508185   0.97763314  -0.64782409
 H   0.52544144  -2.39685098   1.39288742
 H   0.74495649  -0.22991250   0.18864670
Br  -0.60106730   0.60280389   2.14512481
Al   4.24884674   1.74348910   0.29095239
Br   4.31373522   1.15842848  -2.18487450
Br   1.94636730   0.27266191  -2.42372608
Br  -0.58165637  -0.70294850  -2.49102761
Br   3.71535386  -0.24124227   1.34264316
Br   2.64916168   3.37997607   0.47415834
Br   6.45329069   2.40160454   0.39288054
 20
 Energy -18491.18573946 Gradient 0.00003045
 C  -1.47534845  -2.64820894   0.79163771
 C  -2.61102157  -0.81171063  -0.36832678
 C  -2.65323355  -2.03960560   0.22330896
 C  -1.34952744  -0.10312810  -0.45279151
 C  -0.32696772  -1.93938987   0.92538524
 C  -0.25986117  -0.53166982   0.48329854
 H  -1.53311680  -3.67802900   1.15135874
 H  -3.49848697  -0.36654041  -0.82194793
 H  -3.59989202  -2.58468831   0.27014115
 H  -1.37734753   0.97036573  -0.65658108
 H   0.56082988  -2.35964197   1.40262976
 H   0.74325926  -0.19884069   0.18352168
Br  -0.61209646   0.62658590   2.13710158
Al   4.24842634   1.73840020   0.29145732
Br   4.31020983   1.16568041  -2.18733095
Br   1.94416067   0.27504437  -2.42567472
Br  -0.58003821  -0.70968410  -2.49089312
Br   3.71462346  -0.25116716   1.33432695
Br   2.64920115   3.37425979   0.48385708
Br   6.45312651   2.39469422   0.39639465
 20
 Energy -18491.18576162 Gradient 0.00002657
 C  -1.43875248  -2.64656972   0.80847146
 C  -2.60474779  -0.83616518  -0.36256197
 C  -2.62672754  -2.06056656   0.23763614
 C  -1.35509219  -0.10830086  -0.45334757
 C  -0.30137152  -1.91892410   0.93531854
 C  -0.25693462  -0.51365108   0.48292286
 H  -1.47985790  -3.67458430   1.17556096
 H  -3.49982870  -0.40828482  -0.81786075
 H  -3.56460732  -2.62018184   0.28950843
 H  -1.39991112   0.96307238  -0.66492131
 H   0.59395426  -2.32152022   1.41374089
 H   0.74046543  -0.16834957   0.17827503
Br  -0.62276715   0.65126717   2.12903302
Al   4.24836462   1.73297238   0.29165496
Br   4.30625316   1.17249540  -2.18980027
Br   1.94136262   0.27687550  -2.42737164
Br  -0.57855663  -0.71616094  -2.49080329
Br   3.71563698  -0.26146617   1.32629271
Br   2.64897159   3.36745685   0.49430966
Br   6.45305478   2.38855178   0.39849318
 20
 Energy -18491.18578383 Gradient 0.00002450
 C  -1.40090053  -2.64551176   0.82406772
 C  -2.59859294  -0.86312630  -0.35809213
 C  -2.59904072  -2.08384965   0.25034373
 C  -1.36245611  -0.11398282  -0.45350761
 C  -0.27583227  -1.89781007   0.94448058
 C  -0.25569863  -0.49518128   0.48246599
 H  -1.42411625  -3.67153935   1.19820658
 H  -3.50131468  -0.45394073  -0.81548875
 H  -3.52708640  -2.65924809   0.30635201
 H  -1.42570606   0.95493794  -0.67244489
 H   0.62713509  -2.28158301   1.42403239
 H   0.73532147  -0.13625031   0.17286358
Br  -0.63593576   0.67472164   2.12172515
Al   4.24866143   1.72753490   0.29183448
Br   4.30323694   1.17874388  -2.19208133
Br   1.93907711   0.27900146  -2.42881627
Br  -0.57685380  -0.72101047  -2.49096978
Br   3.71805340  -0.27152965   1.31908873
Br   2.64820226   3.35980283   0.50432674
Br   6.45302000   2.38370000   0.40003526
 20
 Energy -18491.18580609 Gradient 0.00002510
 C  -1.36294793  -2.64422350   0.83875402
 C  -2.59222950  -0.89008795  -0.35343637
 C  -2.57094830  -2.10697180   0.26258500
 C  -1.36977273  -0.12016146  -0.45424791
 C  -0.25071122  -1.87656974   0.95304490
 C  -0.25501466  -0.47706194   0.48158654
 H  -1.36818553  -3.66805633   1.21951037
 H  -3.50239662  -0.49956627  -0.81239447
 H  -3.48883988  -2.69802305   0.32290444
 H  -1.45148122   0.94603894  -0.68005038
 H   0.65957848  -2.24129345   1.43363653
 H   0.72941431  -0.10445289   0.16728180
Br  -0.65012609   0.69820199   2.11368151
Al   4.24930494   1.72209583   0.29230968
Br   4.30048531   1.18421342  -2.19382683
Br   1.93694600   0.28107522  -2.42999585
Br  -0.57546466  -0.72541742  -2.49145379
Br   3.72122343  -0.28139928   1.31267130
Br   2.64736082   3.35171834   0.51415051
Br   6.45313514   2.37949791   0.40158373
 20
 Energy -18491.18581816 Gradient 0.00002216
 C  -1.32726219  -2.64009074   0.85271057
 C  -2.58563872  -0.91352755  -0.34951598
 C  -2.54406316  -2.12622094   0.27395447
 C  -1.37631235  -0.12442159  -0.45560954
 C  -0.22742413  -1.85383568   0.96098824
 C  -0.25473134  -0.45769187   0.48051925
 H  -1.31557470  -3.66140414   1.24001955
 H  -3.50239077  -0.54091337  -0.81024747
 H  -3.45222966  -2.73169475   0.33824097
 H  -1.47520010   0.93870355  -0.68873528
 H   0.68937254  -2.20037548   1.44269388
 H   0.72326871  -0.07191589   0.16222967
Br  -0.66671432   0.72136391   2.10560171
Al   4.25041083   1.71623895   0.29288847
Br   4.29824759   1.18932333  -2.19537141
Br   1.93537733   0.28282908  -2.43126098
Br  -0.57351447  -0.72989435  -2.49181942
Br   3.72566297  -0.29169938   1.30656425
Br   2.64634476   3.34255120   0.52424118
Br   6.45353326   2.37555608   0.40294654
 20
 Energy -18491.18583428 Gradient 0.00001873
 C  -1.29041871  -2.63578831   0.86420948
 C  -2.57941571  -0.93699893  -0.34514749
 C  -2.51653800  -2.14547277   0.28499032
 C  -1.38392632  -0.12838717  -0.45712556
 C  -0.20374807  -1.83058116   0.96652187
 C  -0.25541046  -0.43773667   0.47866556
 H  -1.26097876  -3.65468798   1.25689235
 H  -3.50301831  -0.58239992  -0.80641799
 H  -3.41426560  -2.76581004   0.35419708
 H  -1.50064400   0.93139652  -0.69697253
 H   0.71981269  -2.15874873   1.44817107
 H   0.71548433  -0.03750679   0.15657621
Br  -0.68472276   0.74291799   2.09819439
Al   4.25179797   1.71050711   0.29355876
Br   4.29667544   1.19338373  -2.19655538
Br   1.93420987   0.28439384  -2.43222588
Br  -0.57217877  -0.73288073  -2.49235764
Br   3.73150029  -0.30164063   1.30140218
Br   2.64485317   3.33285688   0.53340022
Br   6.45391465   2.37283453   0.40403394
 20
 Energy -18491.18584695 Gradient 0.00002039
 C  -1.25130025  -2.63192901   0.87595840
 C  -2.57258704  -0.96277443  -0.33992635
 C  -2.48693071  -2.16665061   0.29656876
 C  -1.39231982  -0.13352698  -0.45800749
 C  -0.17889991  -1.80694703   0.97173667
 C  -0.25640447  -0.41797610   0.47649079
 H  -1.20291976  -3.64802159   1.27398533
 H  -3.50326337  -0.62734162  -0.80131226
 H  -3.37330794  -2.80255306   0.37068481
 H  -1.52813488   0.92252573  -0.70402961
 H   0.75168948  -2.11559466   1.45277821
 H   0.70653689  -0.00279465   0.14962840
Br  -0.70216885   0.76392538   2.09073266
Al   4.25335062   1.70501459   0.29453751
Br   4.29491025   1.19645479  -2.19737686
Br   1.93249018   0.28591243  -2.43275853
Br  -0.57200223  -0.73472426  -2.49319740
Br   3.73895877  -0.31111217   1.29761572
Br   2.64237310   3.32244624   0.54113492
Br   6.45411724   2.37165385   0.40436355
 20
 Energy -18491.18586397 Gradient 0.00002014
 C  -1.21399048  -2.62729864   0.88732872
 C  -2.56544736  -0.98725018  -0.33508552
 C  -2.45814753  -2.18634628   0.30740600
 C  -1.40019420  -0.13832558  -0.45858667
 C  -0.15571550  -1.78354496   0.97717982
 C  -0.25789669  -0.39876300   0.47489147
 H  -1.14754407  -3.64035705   1.29044728
 H  -3.50241947  -0.67038504  -0.79685522
 H  -3.33331420  -2.83708747   0.38585810
 H  -1.55427596   0.91384901  -0.71029823
 H   0.78110419  -2.07332578   1.45787769
 H   0.69721530   0.03095404   0.14400429
Br  -0.72087077   0.78392272   2.08386528
Al   4.25505109   1.69949285   0.29477039
Br   4.29337021   1.19948021  -2.19843822
Br   1.93093571   0.28751631  -2.43333454
Br  -0.57155528  -0.73609328  -2.49375990
Br   3.74882828  -0.32082547   1.29370154
Br   2.63904304   3.31049843   0.54965512
Br   6.45395782   2.37224047   0.40376182
 20
 Energy -18491.18587743 Gradient 0.00001994
 C  -1.17937868  -2.62155362   0.89805996
 C  -2.55901638  -1.00979569  -0.33059213
 C  -2.43122147  -2.20388841   0.31771319
 C  -1.40830446  -0.14257418  -0.45944068
 C  -0.13486904  -1.76016566   0.98223805
 C  -0.26046683  -0.37981348   0.47321350
 H  -1.09580588  -3.63137774   1.30606896
 H  -3.50164869  -0.71077612  -0.79274000
 H  -3.29550485  -2.86850690   0.40041488
 H  -1.57952278   0.90542765  -0.71727179
 H   0.80753750  -2.03178756   1.46264782
 H   0.68691653   0.06357146   0.13829787
Br  -0.73978086   0.80325639   2.07721480
Al   4.25714674   1.69389482   0.29516006
Br   4.29198187   1.20267012  -2.19953523
Br   1.92971110   0.28876639  -2.43364700
Br  -0.57094767  -0.73771983  -2.49415424
Br   3.76121855  -0.33136871   1.28922328
Br   2.63455985   3.29706151   0.55875453
Br   6.45333182   2.37538186   0.40285807
 20
 Energy -18491.1858941 Gradient 0.00002094
 C  -1.14985731  -2.61342257   0.90920781
 C  -2.55312057  -1.02804125  -0.32693165
 C  -2.40780319  -2.21687361   0.32752617
 C  -1.41532481  -0.14510615  -0.46066378
 C  -0.11766457  -1.73677227   0.98818220
 C  -0.26343639  -0.36108824   0.47199105
 H  -1.05150873  -3.61980334   1.32238592
 H  -3.50018332  -0.74512938  -0.79015320
 H  -3.26235883  -2.89347054   0.41407513
 H  -1.60136227   0.89877354  -0.72476409
 H   0.82915971  -1.99206079   1.46888867
 H   0.67710329   0.09425048   0.13394181
Br  -0.75902998   0.82343830   2.07015377
Al   4.25962207   1.68784405   0.29527823
Br   4.29083556   1.20578314  -2.20081187
Br   1.92888585   0.28953592  -2.43384235
Br  -0.56975038  -0.73990261  -2.49414297
Br   3.77498457  -0.34269308   1.28431968
Br   2.62961832   3.28213358   0.56854287
Br   6.45276179   2.37910971   0.40183447
 20
 Energy -18491.18590835 Gradient 0.00001876
 C  -1.12238127  -2.60431030   0.91966491
 C  -2.54788948  -1.04457439  -0.32383827
 C  -2.38585968  -2.22801814   0.33670214
 C  -1.42267881  -0.14682390  -0.46237099
 C  -0.10227548  -1.71310104   0.99353998
 C  -0.26737796  -0.34228947   0.47037934
 H  -1.00996668  -3.60711277   1.33791048
 H  -3.49898226  -0.77725830  -0.78807293
 H  -3.23100995  -2.91585468   0.42707909
 H  -1.62273123   0.89283326  -0.73270481
 H   0.84853434  -1.95252210   1.47460011
 H   0.66654357   0.12422016   0.12927613
Br  -0.77818021   0.84345620   2.06302592
Al   4.26223763   1.68140416   0.29575948
Br   4.29055914   1.20797500  -2.20180294
Br   1.92880770   0.28986766  -2.43398286
Br  -0.56828880  -0.74164608  -2.49416615
Br   3.78761186  -0.35354397   1.28036194
Br   2.62509969   3.26738084   0.57641826
Br   6.45208358   2.38246585   0.40196641
 20
 Energy -18491.18592531 Gradient 0.00002081
 C  -1.09249272  -2.59480679   0.92907236
 C  -2.54199405  -1.06199202  -0.32013426
 C  -2.36185690  -2.23994830   0.34576140
 C  -1.43057496  -0.14851108  -0.46359061
 C  -0.08549794  -1.68831850   0.99773799
 C  -0.27148871  -0.32257693   0.46843340
 H  -0.96482612  -3.59388866   1.35181776
 H  -3.49732448  -0.81105084  -0.78478755
 H  -3.19662677  -2.93982751   0.44001682
 H  -1.64563870   0.88651844  -0.74002030
 H   0.86945220  -1.91122569   1.47856312
 H   0.65484063   0.15648977   0.12413550
Br  -0.79813600   0.86276522   2.05635761
Al   4.26453600   1.67539194   0.29596943
Br   4.29049234   1.20853380  -2.20239258
Br   1.92844143   0.28977931  -2.43387518
Br  -0.56753180  -0.74233892  -2.49458165
Br   3.80125807  -0.36343409   1.27807203
Br   2.62026775   3.25315021   0.58303803
Br   6.45143738   2.38577343   0.40132603
 20
 Energy -18491.18594049 Gradient 0.00002252
 C  -1.06364434  -2.58516227   0.93805320
 C  -2.53628912  -1.07861529  -0.31610636
 C  -2.33856366  -2.25100527   0.35484228
 C  -1.43842100  -0.15011001  -0.46458018
 C  -0.06953477  -1.66408398   1.00152517
 C  -0.27586043  -0.30350707   0.46655602
 H  -0.92116201  -3.58046645   1.36493935
 H  -3.49560900  -0.84353419  -0.78085188
 H  -3.16315556  -2.96232079   0.45309572
 H  -1.66813030   0.88025706  -0.74647049
 H   0.88939862  -1.87091635   1.48168785
 H   0.64297452   0.18760520   0.11920131
Br  -0.81800007   0.88094865   2.05020209
Al   4.26762762   1.66950906   0.29639973
Br   4.29032915   1.20885534  -2.20293518
Br   1.92791190   0.28980324  -2.43367939
Br  -0.56746654  -0.74212738  -2.49481438
Br   3.81594969  -0.37343058   1.27534248
Br   2.61521734   3.23777229   0.59057764
Br   6.45104233   2.39051810   0.39932581
 20
 Energy -18491.18595948 Gradient 0.00002634
 C  -1.03541390  -2.57517349   0.94702883
 C  -2.53043631  -1.09495460  -0.31200724
 C  -2.31544650  -2.26159020   0.36387814
 C  -1.44621732  -0.15180001  -0.46540236
 C  -0.05429288  -1.63987916   1.00537608
 C  -0.28046809  -0.28478355   0.46463136
 H  -0.87839788  -3.56650919   1.37802662
 H  -3.49343166  -0.87561240  -0.77681595
 H  -3.12976957  -2.98409563   0.46600145
 H  -1.69032299   0.87369990  -0.75281441
 H   0.90832658  -1.83076278   1.48483048
 H   0.63083187   0.21780284   0.11391502
Br  -0.83732102   0.89881009   2.04394511
Al   4.27006573   1.66334420   0.29672539
Br   4.29008118   1.20979094  -2.20349780
Br   1.92739898   0.29016272  -2.43357144
Br  -0.56731559  -0.74193858  -2.49504644
Br   3.83116925  -0.38418855   1.27189201
Br   2.61020771   3.22256923   0.59855581
Br   6.44999708   2.39524090   0.39782544
 20
 Energy -18491.18598162 Gradient 0.00002771
 C  -1.00716773  -2.56446950   0.95594343
 C  -2.52431996  -1.11079751  -0.30758656
 C  -2.29214367  -2.27140505   0.37320449
 C  -1.45384782  -0.15334364  -0.46620356
 C  -0.03908987  -1.61525416   1.00894856
 C  -0.28514991  -0.26586801   0.46265367
 H  -0.83564521  -3.55162645   1.39097621
 H  -3.49083253  -0.90716428  -0.77226204
 H  -3.09614177  -3.00481446   0.47943415
 H  -1.71220571   0.86711763  -0.75894946
 H   0.92703793  -1.79033336   1.48748243
 H   0.61841198   0.24844196   0.10889369
Br  -0.85711853   0.91652421   2.03776556
Al   4.27280713   1.65695078   0.29691987
Br   4.28936151   1.21069715  -2.20417545
Br   1.92641767   0.29056829  -2.43350584
Br  -0.56749089  -0.74167709  -2.49528960
Br   3.84652104  -0.39451309   1.26888856
Br   2.60604514   3.20766505   0.60703412
Br   6.44952683   2.39891004   0.39546603
 20
 Energy -18491.18600733 Gradient 0.00002977
 C  -0.98062030  -2.55343688   0.96576139
 C  -2.51847140  -1.12627068  -0.30302654
 C  -2.26986257  -2.28057030   0.38292163
 C  -1.46161863  -0.15511509  -0.46664291
 C  -0.02546324  -1.59089690   1.01345184
 C  -0.29042075  -0.24769238   0.46100113
 H  -0.79524872  -3.53617829   1.40508792
 H  -3.48805201  -0.93813152  -0.76781813
 H  -3.06365688  -3.02443321   0.49310948
 H  -1.73365197   0.86017054  -0.76487945
 H   0.94374953  -1.75037487   1.49127327
 H   0.60566580   0.27726427   0.10391278
Br  -0.87601193   0.93502163   2.03122337
Al   4.27649324   1.65034362   0.29720875
Br   4.28881853   1.21229638  -2.20509197
Br   1.92554647   0.29128956  -2.43323377
Br  -0.56749053  -0.74148930  -2.49538259
Br   3.86142731  -0.40572357   1.26465747
Br   2.60146827   3.19087962   0.61527751
Br   6.44909821   2.40368923   0.39428369
 20
 Energy -18491.18602674 Gradient 0.00003134
 C  -0.95473523  -2.54084058   0.97516932
 C  -2.51206351  -1.13955349  -0.29866896
 C  -2.24786518  -2.28746158   0.39237433
 C  -1.46824316  -0.15566637  -0.46742748
 C  -0.01199666  -1.56576399   1.01756705
 C  -0.29500727  -0.22864920   0.45923561
 H  -0.75616485  -3.51902782   1.41886333
 H  -3.48436429  -0.96625701  -0.76356691
 H  -3.03184106  -3.04107879   0.50659596
 H  -1.75326245   0.85434822  -0.77129374
 H   0.95975007  -1.71051856   1.49504588
 H   0.59373522   0.30679114   0.09926010
Br  -0.89568430   0.95273109   2.02488573
Al   4.27895480   1.64353487   0.29723208
Br   4.28845610   1.21387825  -2.20599128
Br   1.92504771   0.29195405  -2.43320385
Br  -0.56684389  -0.74134451  -2.49525288
Br   3.87731044  -0.41722601   1.25989118
Br   2.59645227   3.17456157   0.62383943
Br   6.44792402   2.40779689   0.39347972
 20
 Energy -18491.1860552 Gradient 0.00003391
 C  -0.92630376  -2.52823017   0.98369228
 C  -2.50474892  -1.15401858  -0.29364268
 C  -2.22365513  -2.29522110   0.40202035
 C  -1.47508083  -0.15663255  -0.46791842
 C   0.00293289  -1.54000381   1.02052031
 C  -0.29977781  -0.20931587   0.45723661
 H  -0.71340572  -3.50178732   1.43091961
 H  -3.47994855  -0.99639948  -0.75803158
 H  -2.99688761  -3.05919383   0.52053460
 H  -1.77396371   0.84773557  -0.77708791
 H   0.97789179  -1.66899607   1.49609645
 H   0.58072889   0.33780608   0.09458913
Br  -0.91647800   0.96915277   2.01913577
Al   4.28182016   1.63728408   0.29730401
Br   4.28821351   1.21484229  -2.20677185
Br   1.92456452   0.29247594  -2.43335898
Br  -0.56669980  -0.74066981  -2.49513009
Br   3.89263485  -0.42745334   1.25669181
Br   2.59178692   3.15882471   0.63148164
Br   6.44718894   2.41162217   0.39169529
 20
 Energy -18491.18608224 Gradient 0.00003640
 C  -0.89751921  -2.51570134   0.99251154
 C  -2.49750254  -1.16954571  -0.28796005
 C  -2.19895548  -2.30372444   0.41219268
 C  -1.48281350  -0.15843498  -0.46781991
 C   0.01761063  -1.51408016   1.02353122
 C  -0.30523648  -0.19033018   0.45511580
 H  -0.66983540  -3.48420918   1.44337836
 H  -3.47555466  -1.02804665  -0.75152917
 H  -2.96101379  -3.07816514   0.53514620
 H  -1.79604943   0.83985590  -0.78228913
 H   0.99553475  -1.62694876   1.49722553
 H   0.56670088   0.36808513   0.08895895
Br  -0.93633892   0.98585287   2.01331677
Al   4.28481513   1.63088331   0.29703195
Br   4.28796385   1.21542357  -2.20765405
Br   1.92369719   0.29290716  -2.43317115
Br  -0.56691644  -0.73969524  -2.49527241
Br   3.90844650  -0.43755202   1.25359625
Br   2.58687676   3.14248755   0.63834457
Br   6.44616279   2.41635246   0.39046960
 20
 Energy -18491.18610725 Gradient 0.00004035
 C  -0.87028937  -2.50226478   1.00109839
 C  -2.49028099  -1.18330275  -0.28255386
 C  -2.17524049  -2.31046032   0.42197724
 C  -1.48999605  -0.15937271  -0.46768431
 C   0.03125155  -1.48817752   1.02648587
 C  -0.31059488  -0.17143370   0.45303294
 H  -0.62869335  -3.46573620   1.45551400
 H  -3.47074582  -1.05730600  -0.74548169
 H  -2.92638447  -3.09482216   0.54908728
 H  -1.81647782   0.83294995  -0.78754009
 H   1.01175363  -1.58574524   1.49838617
 H   0.55299246   0.39777588   0.08369238
Br  -0.95591953   1.00225767   2.00752891
Al   4.28796155   1.62445147   0.29703657
Br   4.28775871   1.21591670  -2.20843670
Br   1.92290791   0.29317082  -2.43297344
Br  -0.56706535  -0.73855863  -2.49546318
Br   3.92487840  -0.44828388   1.24980292
Br   2.58163433   3.12576513   0.64549505
Br   6.44480950   2.42164434   0.38961499
 20
 Energy -18491.1861447 Gradient 0.00004219
 C  -0.84401403  -2.48875746   1.00946322
 C  -2.48300378  -1.19628700  -0.27707173
 C  -2.15216023  -2.31643379   0.43165302
 C  -1.49677254  -0.16024581  -0.46745195
 C   0.04426946  -1.46279032   1.02940732
 C  -0.31586551  -0.15306360   0.45112384
 H  -0.58899545  -3.44715059   1.46726003
 H  -3.46563827  -1.08518946  -0.73923134
 H  -2.89278023  -3.11007496   0.56293786
 H  -1.83613602   0.82605298  -0.79235563
 H   1.02704422  -1.54563635   1.49956361
 H   0.53958779   0.42651646   0.07887478
Br  -0.97533613   1.01839339   2.00184350
Al   4.29106329   1.61798286   0.29687243
Br   4.28755763   1.21675296  -2.20934935
Br   1.92224475   0.29368933  -2.43285344
Br  -0.56708204  -0.73711537  -2.49566271
Br   3.94106202  -0.45919484   1.24498551
Br   2.57656519   3.10836592   0.65327258
Br   6.44339876   2.42706262   0.38932378
 20
 Energy -18491.18617818 Gradient 0.00004410
 C  -0.81708370  -2.47435205   1.01787624
 C  -2.47547828  -1.20935040  -0.27110146
 C  -2.12832247  -2.32205811   0.44180262
 C  -1.50393308  -0.16106498  -0.46708407
 C   0.05738401  -1.43642588   1.03195062
 C  -0.32153697  -0.13418647   0.44886962
 H  -0.54828482  -3.42736509   1.47901858
 H  -3.46021629  -1.11368776  -0.73220311
 H  -2.85786198  -3.12516268   0.57749941
 H  -1.85636801   0.81888411  -0.79720203
 H   1.04242124  -1.50422608   1.49991428
 H   0.52529983   0.45577618   0.07319096
Br  -0.99466952   1.03443665   1.99608548
Al   4.29416072   1.61109523   0.29649070
Br   4.28719804   1.21762832  -2.21042745
Br   1.92130107   0.29426011  -2.43286050
Br  -0.56736096  -0.73561812  -2.49584233
Br   3.95774458  -0.47024936   1.24044095
Br   2.57167045   3.09080981   0.66123590
Br   6.44177006   2.43243112   0.38893224
 20
 Energy -18491.1862143 Gradient 0.00004624
 C  -0.79095118  -2.45984809   1.02654785
 C  -2.46761940  -1.22178465  -0.26500066
 C  -2.10490725  -2.32697649   0.45208828
 C  -1.51030584  -0.16200364  -0.46660977
 C   0.07010933  -1.41057992   1.03488760
 C  -0.32676022  -0.11593357   0.44686560
 H  -0.50894172  -3.40736827   1.49108781
 H  -3.45417366  -1.14098101  -0.72508881
 H  -2.82376372  -3.13891641   0.59219343
 H  -1.87538814   0.81158088  -0.80167224
 H   1.05708994  -1.46387305   1.50082813
 H   0.51176826   0.48381095   0.06791507
Br  -1.01346887   1.05042112   1.99023641
Al   4.29710626   1.60437838   0.29617607
Br   4.28674542   1.21842765  -2.21140659
Br   1.92027184   0.29475966  -2.43271212
Br  -0.56769578  -0.73422468  -2.49602783
Br   3.97436073  -0.48100102   1.23619858
Br   2.56666590   3.07328647   0.66905371
Br   6.44008001   2.43768482   0.38798563
 20
 Energy -18491.1862456 Gradient 0.00004771
 C  -0.76573381  -2.44502710   1.03546874
 C  -2.45969586  -1.23371907  -0.25888326
 C  -2.08203740  -2.33116393   0.46258818
 C  -1.51635788  -0.16294816  -0.46624225
 C   0.08210649  -1.38499446   1.03784987
 C  -0.33206131  -0.09808018   0.44484845
 H  -0.47100918  -3.38697502   1.50345175
 H  -3.44778208  -1.16756903  -0.71797033
 H  -2.79034940  -3.15153887   0.60719511
 H  -1.89365765   0.80427712  -0.80614825
 H   1.07085510  -1.42406761   1.50157745
 H   0.49830869   0.51092857   0.06269335
Br  -1.03184637   1.06598230   1.98430920
Al   4.30007959   1.59770546   0.29617898
Br   4.28610673   1.22006301  -2.21230320
Br   1.91946420   0.29561578  -2.43293384
Br  -0.56794896  -0.73301448  -2.49596199
Br   3.99080874  -0.49219037   1.23071862
Br   2.56166510   3.05542530   0.67807683
Br   6.43831489   2.44296932   0.38701249
 20
 Energy -18491.18628237 Gradient 0.00005087
 C  -0.74042929  -2.43006675   1.04435905
 C  -2.45141976  -1.24556325  -0.25241947
 C  -2.05894809  -2.33509441   0.47332045
 C  -1.52203571  -0.16417670  -0.46578932
 C   0.09425047  -1.35952120   1.04071872
 C  -0.33706515  -0.08055785   0.44275179
 H  -0.43307863  -3.36624948   1.51577201
 H  -3.44095148  -1.19384750  -0.71030564
 H  -2.75677424  -3.16357673   0.62260875
 H  -1.91151195   0.79650628  -0.81039039
 H   1.08457384  -1.38456428   1.50227311
 H   0.48513665   0.53742953   0.05722913
Br  -1.04982712   1.08135627   1.97826493
Al   4.30276322   1.59069325   0.29600296
Br   4.28524337   1.22209206  -2.21324260
Br   1.91847952   0.29653527  -2.43307307
Br  -0.56820845  -0.73204432  -2.49589729
Br   4.00698515  -0.50336683   1.22528134
Br   2.55704465   3.03785533   0.68706578
Br   6.43631091   2.44807443   0.38608938
 20
 Energy -18491.18632057 Gradient 0.00005057
 C  -0.71474452  -2.41457282   1.05394742
 C  -2.44255090  -1.25778401  -0.24557565
 C  -2.03510490  -2.33898123   0.48459944
 C  -1.52765306  -0.16574878  -0.46496077
 C   0.10631305  -1.33355973   1.04399097
 C  -0.34216475  -0.06310569   0.44064938
 H  -0.39474306  -3.34462140   1.52907675
 H  -3.43326273  -1.22099997  -0.70225410
 H  -2.72203490  -3.17567486   0.63860219
 H  -1.92922901   0.78810425  -0.81455600
 H   1.09793091  -1.34421172   1.50345893
 H   0.47166174   0.56364872   0.05147319
Br  -1.06767409   1.09687626   1.97192265
Al   4.30569155   1.58401137   0.29558742
Br   4.28435088   1.22408358  -2.21434942
Br   1.91735046   0.29734871  -2.43304286
Br  -0.56829038  -0.73130594  -2.49592755
Br   4.02291338  -0.51435372   1.21944129
Br   2.55231014   3.02007220   0.69563528
Br   6.43417860   2.45327866   0.38606811
 20
 Energy -18491.18635455 Gradient 0.00005361
 C  -0.69073215  -2.39948907   1.06324893
 C  -2.43393374  -1.26889158  -0.23887077
 C  -2.01264449  -2.34202232   0.49558457
 C  -1.53260944  -0.16721107  -0.46400808
 C   0.11760638  -1.30887446   1.04726420
 C  -0.34681871  -0.04663213   0.43879035
 H  -0.35893402  -3.32359838   1.54185545
 H  -3.42563290  -1.24597140  -0.69442797
 H  -2.68941658  -3.18611416   0.65414389
 H  -1.94546247   0.78000367  -0.81842069
 H   1.11037312  -1.30623782   1.50455670
 H   0.45914781   0.58811215   0.04612398
Br  -1.08465355   1.11180959   1.96573531
Al   4.30836181   1.57756282   0.29522923
Br   4.28338494   1.22676539  -2.21547979
Br   1.91641584   0.29828864  -2.43324039
Br  -0.56791591  -0.73099937  -2.49586828
Br   4.03816151  -0.52532958   1.21259554
Br   2.54751511   3.00253525   0.70448068
Br   6.43192241   2.45844606   0.38682481
 20
 Energy -18491.18638672 Gradient 0.00005244
 C  -0.66690906  -2.38373832   1.07309712
 C  -2.42495461  -1.28002868  -0.23212331
 C  -1.99001522  -2.34463402   0.50696760
 C  -1.53735263  -0.16891103  -0.46336727
 C   0.12846820  -1.28373445   1.05076817
 C  -0.35170543  -0.03015104   0.43673366
 H  -0.32346800  -3.30159886   1.55550541
 H  -3.41731285  -1.27131709  -0.68662650
 H  -2.65644091  -3.19602537   0.67024575
 H  -1.96131514   0.77143754  -0.82283669
 H   1.12210122  -1.26762613   1.50603723
 H   0.44640587   0.61232207   0.04057386
Br  -1.10178920   1.12695699   1.95903697
Al   4.31073080   1.57101970   0.29500191
Br   4.28226105   1.22964478  -2.21655263
Br   1.91549665   0.29927960  -2.43342970
Br  -0.56736044  -0.73132740  -2.49560618
Br   4.05333607  -0.53618749   1.20617956
Br   2.54311714   2.98548030   0.71349559
Br   6.42957818   2.46300814   0.38705900
 20
 Energy -18491.18642393 Gradient 0.00004843
 C  -0.64277596  -2.36726231   1.08391658
 C  -2.41570252  -1.29153873  -0.22463266
 C  -1.96694447  -2.34703490   0.51946962
 C  -1.54214183  -0.17110440  -0.46243241
 C   0.13941472  -1.25788906   1.05470341
 C  -0.35670388  -0.01353043   0.43464851
 H  -0.28750391  -3.27837270   1.57053258
 H  -3.40866945  -1.29724421  -0.67793601
 H  -2.62285073  -3.20555945   0.68795018
 H  -1.97749441   0.76198064  -0.82712447
 H   1.13382394  -1.22805189   1.50775346
 H   0.43329694   0.63643014   0.03436089
Br  -1.11931795   1.14286074   1.95161240
Al   4.31345212   1.56448598   0.29457353
Br   4.28084465   1.23226831  -2.21758248
Br   1.91425800   0.29969994  -2.43354022
Br  -0.56695671  -0.73223048  -2.49529718
Br   4.06851029  -0.54649843   1.20022825
Br   2.53925515   2.96853153   0.72262272
Br   6.42758066   2.46740713   0.38676014
 20
 Energy -18491.18645053 Gradient 0.00004524
 C  -0.61984838  -2.35031468   1.09554311
 C  -2.40643864  -1.30268270  -0.21720735
 C  -1.94455824  -2.34877801   0.53228756
 C  -1.54664330  -0.17345536  -0.46176441
 C   0.14929306  -1.23205038   1.05934158
 C  -0.36187548   0.00274130   0.43253172
 H  -0.25340849  -3.25448698   1.58681815
 H  -3.39962939  -1.32276646  -0.66955234
 H  -2.59007498  -3.21411106   0.70598087
 H  -1.99285594   0.75231641  -0.83186362
 H   1.14386671  -1.18876682   1.51105611
 H   0.42045383   0.65944179   0.02819421
Br  -1.13683920   1.15925655   1.94345678
Al   4.31632120   1.55803016   0.29450787
Br   4.27904350   1.23507120  -2.21840894
Br   1.91307155   0.29999737  -2.43337874
Br  -0.56656740  -0.73402500  -2.49485550
Br   4.08393411  -0.55698091   1.19379005
Br   2.53585068   2.95159138   0.73256378
Br   6.42563238   2.47213018   0.38587944
 20
 Energy -18491.18647778 Gradient 0.00004087
 C  -0.59947576  -2.33341914   1.10768157
 C  -2.39784360  -1.31270683  -0.21024148
 C  -1.92439644  -2.34936715   0.54524636
 C  -1.55048536  -0.17583323  -0.46172783
 C   0.15776654  -1.20724550   1.06437539
 C  -0.36695278   0.01817840   0.43042300
 H  -0.22295097  -3.23073191   1.60385355
 H  -3.39097725  -1.34615053  -0.66194790
 H  -2.56054629  -3.22051550   0.72435015
 H  -2.00665796   0.74281824  -0.83734277
 H   1.15248020  -1.15136095   1.51453088
 H   0.40847957   0.68066723   0.02222538
Br  -1.15419503   1.17586742   1.93444022
Al   4.31924051   1.55179016   0.29489259
Br   4.27689007   1.23966549  -2.21919685
Br   1.91216338   0.30069416  -2.43313243
Br  -0.56544886  -0.73708887  -2.49387050
Br   4.09895150  -0.56843389   1.18489747
Br   2.53286638   2.93469265   0.74438696
Br   6.42384011   2.47651407   0.38561731
 20
 Energy -18491.18651005 Gradient 0.00003895
 C  -0.58000372  -2.31684532   1.12030319
 C  -2.38919294  -1.32267753  -0.20316788
 C  -1.90477240  -2.34985034   0.55842443
 C  -1.55397252  -0.17866443  -0.46150049
 C   0.16562010  -1.18323750   1.06987190
 C  -0.37184948   0.03267932   0.42842210
 H  -0.19405733  -3.20727062   1.62164399
 H  -3.38202719  -1.36929502  -0.65434324
 H  -2.53177045  -3.22651243   0.74286654
 H  -2.01937596   0.73299345  -0.84274281
 H   1.16008075  -1.11492118   1.51894760
 H   0.39692398   0.70026961   0.01594810
Br  -1.17080673   1.19215556   1.92506321
Al   4.32233845   1.54535864   0.29478784
Br   4.27441517   1.24548394  -2.22030412
Br   1.91119046   0.30169173  -2.43303460
Br  -0.56403657  -0.74081624  -2.49277524
Br   4.11346003  -0.57965413   1.17578371
Br   2.52985905   2.91750015   0.75660347
Br   6.42210938   2.48087568   0.38580902
 20
 Energy -18491.18653169 Gradient 0.00003457
 C  -0.56139727  -2.29941986   1.13358566
 C  -2.38045914  -1.33225692  -0.19639619
 C  -1.88570299  -2.34947770   0.57197555
 C  -1.55703694  -0.18156783  -0.46207848
 C   0.17280932  -1.15869705   1.07566259
 C  -0.37691049   0.04738804   0.42609983
 H  -0.16631833  -3.18262870   1.64054889
 H  -3.37273694  -1.39193132  -0.64727114
 H  -2.50380743  -3.23121963   0.76209220
 H  -2.03158699   0.72273425  -0.84948144
 H   1.16686640  -1.07807328   1.52366837
 H   0.38556260   0.71968636   0.00958684
Br  -1.18827256   1.20898215   1.91464817
Al   4.32505419   1.53909010   0.29501319
Br   4.27160990   1.25200799  -2.22106849
Br   1.91030004   0.30253105  -2.43281964
Br  -0.56162895  -0.74622383  -2.49139361
Br   4.12758618  -0.59065842   1.16687791
Br   2.52786343   2.90068576   0.76947787
Br   6.42027413   2.48472579   0.38532649
 20
 Energy -18491.18654794 Gradient 0.00003009
 C  -0.54920974  -2.28288311   1.14974883
 C  -2.37331821  -1.34021997  -0.19083679
 C  -1.87203533  -2.34760944   0.58615521
 C  -1.55858033  -0.18505527  -0.46375090
 C   0.17625806  -1.13702619   1.08444266
 C  -0.38152631   0.05965207   0.42450036
 H  -0.14809046  -3.15920370   1.66387160
 H  -3.36428678  -1.41115016  -0.64295128
 H  -2.48352498  -3.23274292   0.78186710
 H  -2.03982567   0.71271230  -0.85797271
 H   1.16915589  -1.04593106   1.53302540
 H   0.37667629   0.73429937   0.00421193
Br  -1.20582452   1.22742814   1.90118735
Al   4.32807903   1.53328122   0.29586383
Br   4.26845721   1.25985017  -2.22150506
Br   1.91012762   0.30285738  -2.43197572
Br  -0.55774888  -0.75485050  -2.48901779
Br   4.13945714  -0.60128244   1.15713077
Br   2.52749629   2.88634450   0.78298796
Br   6.41971780   2.48696843   0.38510568
 20
 Energy -18491.1865668 Gradient 0.00002901
 C  -0.53889475  -2.26547571   1.16491741
 C  -2.36819916  -1.34673854  -0.18520724
 C  -1.86060130  -2.34418633   0.60050474
 C  -1.56158153  -0.18790804  -0.46626929
 C   0.17856993  -1.11508518   1.09101457
 C  -0.38717283   0.07228943   0.42100762
 H  -0.13195506  -3.13479278   1.68630888
 H  -3.35810265  -1.42844749  -0.63784113
 H  -2.46595903  -3.23208075   0.80265748
 H  -2.04888393   0.70327808  -0.86791489
 H   1.17060729  -1.01392167   1.53937215
 H   0.36692595   0.74859358  -0.00392335
Br  -1.22090376   1.24641506   1.88749919
Al   4.33094809   1.52785328   0.29675468
Br   4.26450815   1.26900033  -2.22194051
Br   1.90976194   0.30294924  -2.43113744
Br  -0.55397556  -0.76532999  -2.48635856
Br   4.15131647  -0.61186760   1.14674871
Br   2.52714092   2.87201867   0.79738803
Br   6.41944392   2.48841534   0.38551174
 20
 Energy -18491.18658526 Gradient 0.00002201
 C  -0.52382415  -2.24753000   1.17944594
 C  -2.36100648  -1.35512003  -0.17774564
 C  -1.84470005  -2.34207330   0.61568129
 C  -1.56480794  -0.19150794  -0.46736209
 C   0.18354189  -1.09147192   1.09668004
 C  -0.39259564   0.08557055   0.41746669
 H  -0.10919897  -3.10929062   1.70727983
 H  -3.35005107  -1.44915492  -0.62985865
 H  -2.44224729  -3.23371542   0.82447576
 H  -2.05944551   0.69210090  -0.87669465
 H   1.17496202  -0.97890872   1.54373558
 H   0.35608069   0.76465495  -0.01273476
Br  -1.23590908   1.26437445   1.87473304
Al   4.33346758   1.52247858   0.29708477
Br   4.25980715   1.27842241  -2.22257694
Br   1.90840818   0.30299898  -2.43041715
Br  -0.55007454  -0.77565613  -2.48402116
Br   4.16290533  -0.62215969   1.13601313
Br   2.52687304   2.85790575   0.81203413
Br   6.41869822   2.49016498   0.38554546
 20
 Energy -18491.18656271 Gradient 0.00002077
 C  -0.51787756  -2.23006118   1.19708763
 C  -2.35764503  -1.35581475  -0.16803803
 C  -1.83959087  -2.33268395   0.63574010
 C  -1.56069744  -0.19495264  -0.47556348
 C   0.18580618  -1.07280621   1.10381502
 C  -0.39423986   0.09624329   0.41372091
 H  -0.10075466  -3.08584733   1.73262159
 H  -3.34705869  -1.45573585  -0.61800139
 H  -2.43629084  -3.22205204   0.85639900
 H  -2.05961332   0.68403055  -0.88978444
 H   1.17666030  -0.95319376   1.55021857
 H   0.35303298   0.77511779  -0.01908583
Br  -1.24871082   1.28205954   1.85823434
Al   4.33564443   1.51896078   0.29868460
Br   4.25512927   1.28599194  -2.22312439
Br   1.90931830   0.30157482  -2.42905046
Br  -0.54716838  -0.79149179  -2.47630230
Br   4.17168176  -0.62958745   1.12742040
Br   2.52785622   2.84861057   0.82349453
Br   6.41874334   2.49145694   0.38289727
