 25
 Energy -2543.933692418 Gradient 0.00001455
 C  -1.22063339  -2.19313516  -0.86960565
 C  -2.51577137  -2.42755095  -1.28207295
 C  -3.46250839  -1.37568373  -1.30957668
 C  -3.09927310  -0.10352367  -0.92031684
 C  -1.77557852   0.17423786  -0.48898570
 C  -0.81384967  -0.89378842  -0.46638532
 C   0.50904234  -0.62031228  -0.02743201
 C  -1.36950575   1.47094050  -0.07537989
 C  -0.07805713   1.72373028   0.33214560
 C   0.84501862   0.65892875   0.34497690
 O   2.16345972   0.95228659   0.76818460
Al   2.81127247   2.03617634   2.29504528
Cl   2.70106915   4.04053954   1.56524485
Cl   1.43381382   1.54772881   3.84258372
Cl   4.76557491   1.16634291   2.39169888
 H  -0.49103234  -3.00796403  -0.84418977
 H  -2.81672862  -3.43263686  -1.58859044
 H  -4.48500814  -1.57729094  -1.63849665
 H  -3.82845272   0.71184266  -0.93614172
 H   1.24040376  -1.43190165   0.02965443
 H   2.83428620   0.35124433   0.34409568
 H  -2.10105212   2.28380847  -0.08867271
 H   0.24457498   2.72228462   0.63872356
Cl   4.31436407  -0.78257261  -0.81763405
 H   3.68999395  -0.84492129  -1.95214764
 25
 Energy -2543.933684851 Gradient 0.00001472
 C  -1.22005660  -2.19451897  -0.88799582
 C  -2.51459554  -2.42623630  -1.30389792
 C  -3.46292346  -1.37556500  -1.32017594
 C  -3.10183387  -0.10728482  -0.91651377
 C  -1.77878898   0.16764647  -0.48139944
 C  -0.81547455  -0.89914362  -0.47006373
 C   0.50673842  -0.62846578  -0.02736877
 C  -1.37480378   1.46035266  -0.05352421
 C  -0.08391645   1.71068487   0.35726490
 C   0.84075290   0.64717366   0.35916334
 O   2.15854952   0.93666093   0.78623645
Al   2.81419425   2.03534533   2.29828879
Cl   2.71239999   4.03126678   1.54414053
Cl   1.43700983   1.57340533   3.85405679
Cl   4.76495444   1.15880252   2.40106065
 H  -0.48919460  -3.00842010  -0.87121386
 H  -2.81384068  -3.42827233  -1.62186978
 H  -4.48491332  -1.57502805  -1.65195886
 H  -3.83220762   0.70712740  -0.92373167
 H   1.23947785  -1.43937493   0.02160511
 H   2.83066174   0.34356719   0.35308475
 H  -2.10745830   2.27233549  -0.05855937
 H   0.23688934   2.70668740   0.67383434
Cl   4.30970362  -0.76286678  -0.83424841
 H   3.66966975  -0.82032167  -1.96023027
 25
 Energy -2543.933662727 Gradient 0.00002171
 C  -1.21863147  -2.19647825  -0.90747045
 C  -2.51214751  -2.42546102  -1.32797714
 C  -3.46200808  -1.37605200  -1.33410560
 C  -3.10349039  -0.11183124  -0.91570186
 C  -1.78155182   0.16018290  -0.47537827
 C  -0.81665089  -0.90520596  -0.47451545
 C   0.50448672  -0.63745407  -0.02703210
 C  -1.38006193   1.44858972  -0.03249868
 C  -0.09010110   1.69628822   0.38297308
 C   0.83632859   0.63432461   0.37409832
 O   2.15309909   0.91975150   0.80649200
Al   2.81653550   2.03447248   2.30293321
Cl   2.72417810   4.02079973   1.52223547
Cl   1.43936224   1.60124174   3.86687229
Cl   4.76315690   1.14989919   2.41278049
 H  -0.48660084  -3.00948027  -0.89870137
 H  -2.80938681  -3.42432384  -1.65760091
 H  -4.48315384  -1.57329680  -1.66980074
 H  -3.83507990   0.70152407  -0.91500860
 H   1.23838155  -1.44778435   0.01350620
 H   2.82716508   0.33729941   0.36206217
 H  -2.11377666   2.25959005  -0.02964786
 H   0.22851284   2.68950654   0.71019410
Cl   4.30528458  -0.73960622  -0.85152055
 H   3.65763312  -0.77723826  -1.97400540
 25
 Energy -2543.933659237 Gradient 0.00002722
 C  -1.21538890  -2.19965375  -0.92403587
 C  -2.50724820  -2.42604406  -1.35101887
 C  -3.45828908  -1.37767497  -1.35027054
 C  -3.10260129  -0.11708308  -0.91870775
 C  -1.78238945   0.15223490  -0.47159399
 C  -0.81630763  -0.91208680  -0.47757864
 C   0.50312397  -0.64697287  -0.02356098
 C  -1.38362383   1.43700142  -0.01589355
 C  -0.09514714   1.68241566   0.40546595
 C   0.83239355   0.62150703   0.39014852
 O   2.14796742   0.90281708   0.82824100
Al   2.81847444   2.03359475   2.30871380
Cl   2.73671399   4.00989222   1.50158280
Cl   1.43940236   1.63044653   3.87888530
Cl   4.76080031   1.14102450   2.42754611
 H  -0.48239092  -3.01180415  -0.92054378
 H  -2.80225940  -3.42204139  -1.69114858
 H  -4.47809407  -1.57285919  -1.69119257
 H  -3.83509955   0.69542966  -0.91278177
 H   1.23789043  -1.45675650   0.01181510
 H   2.82370402   0.33078744   0.37291641
 H  -2.11817899   2.24724150  -0.00823257
 H   0.22128701   2.67335315   0.74153099
Cl   4.29709407  -0.71507118  -0.87153117
 H   3.63562546  -0.74122674  -1.98622397
 25
 Energy -2543.93364205 Gradient 0.00003442
 C  -1.21259932  -2.20320628  -0.93936676
 C  -2.50268734  -2.42632003  -1.37340760
 C  -3.45428255  -1.37840930  -1.36698590
 C  -3.10084390  -0.12167269  -0.92258674
 C  -1.78251561   0.14422810  -0.46799573
 C  -0.81584516  -0.91946764  -0.47988698
 C   0.50181947  -0.65752121  -0.01899136
 C  -1.38616976   1.42513880   0.00040513
 C  -0.09929712   1.66773009   0.42831084
 C   0.82902674   0.60758205   0.40687360
 O   2.14320191   0.88468550   0.85145524
Al   2.82056228   2.03327563   2.31444506
Cl   2.74683894   3.99848235   1.47951428
Cl   1.44310903   1.65945180   3.89315651
Cl   4.75962925   1.13522859   2.44121243
 H  -0.47924267  -3.01506973  -0.94045011
 H  -2.79584183  -3.41934628  -1.72367965
 H  -4.47263131  -1.57094421  -1.71371456
 H  -3.83372643   0.69045287  -0.91219377
 H   1.23702291  -1.46710021   0.01153586
 H   2.82079480   0.32173239   0.38758762
 H  -2.12117886   2.23489057   0.01239714
 H   0.21511629   2.65622483   0.77324267
Cl   4.28502273  -0.69249279  -0.89305893
 H   3.60667060  -0.68555130  -1.99780179
 25
 Energy -2543.933617353 Gradient 0.00003947
 C  -1.21107545  -2.20710703  -0.94942203
 C  -2.49874481  -2.42613860  -1.39253858
 C  -3.44921428  -1.37723204  -1.38543821
 C  -3.09727228  -0.12358293  -0.93122915
 C  -1.78137430   0.13807361  -0.46710019
 C  -0.81573036  -0.92657086  -0.47986374
 C   0.49954807  -0.66863272  -0.01017178
 C  -1.38629218   1.41562293   0.01133412
 C  -0.10149957   1.65450508   0.44773538
 C   0.82592005   0.59366178   0.42484569
 O   2.13866421   0.86484176   0.87721976
Al   2.82332004   2.03257499   2.32092033
Cl   2.75466170   3.98536721   1.45645441
Cl   1.44832775   1.68740237   3.90818430
Cl   4.76024562   1.13092136   2.45374777
 H  -0.47856320  -3.01972830  -0.95107571
 H  -2.79088630  -3.41667447  -1.75061798
 H  -4.46563379  -1.56655064  -1.73952745
 H  -3.82937150   0.68923540  -0.92030402
 H   1.23412868  -1.47884712   0.01908930
 H   2.81766761   0.31335305   0.40171742
 H  -2.12045132   2.22616592   0.02392910
 H   0.21189917   2.64089888   0.79947686
Cl   4.26947223  -0.67058739  -0.91436209
 H   3.57085423  -0.65454751  -2.00634598
 25
 Energy -2543.933591908 Gradient 0.00004443
 C  -1.21032444  -2.21066553  -0.95601263
 C  -2.49551402  -2.42465836  -1.40865263
 C  -3.44330540  -1.37330401  -1.40394808
 C  -3.09128680  -0.12232739  -0.94249793
 C  -1.77790013   0.13416837  -0.46844882
 C  -0.81493100  -0.93293318  -0.47891284
 C   0.49786669  -0.68012020   0.00032702
 C  -1.38279727   1.40884473   0.01759503
 C  -0.10025428   1.64279354   0.46329225
 C   0.82470622   0.57974090   0.44220942
 O   2.13586264   0.84416941   0.90355668
Al   2.82627401   2.03123160   2.32814507
Cl   2.76026745   3.97159988   1.43526707
Cl   1.45382356   1.71370868   3.92326278
Cl   4.76165970   1.12811842   2.46853874
 H  -0.47980708  -3.02506182  -0.95585925
 H  -2.78777720  -3.41304100  -1.77253260
 H  -4.45777123  -1.55862712  -1.76568560
 H  -3.82138971   0.69230360  -0.93337953
 H   1.23019262  -1.49227287   0.03151606
 H   2.81616832   0.30334850   0.41769805
 H  -2.11496100   2.22120357   0.02838758
 H   0.21318631   2.62724795   0.82018096
Cl   4.24914172  -0.65276196  -0.93898052
 H   3.52645033  -0.60607908  -2.01432852
 25
 Energy -2543.933554168 Gradient 0.00005645
 C  -1.20868234  -2.21566810  -0.95824029
 C  -2.49074315  -2.42475083  -1.42185754
 C  -3.43496742  -1.37014528  -1.42377840
 C  -3.08273028  -0.12097027  -0.95765045
 C  -1.77250425   0.13049722  -0.47221270
 C  -0.81301703  -0.93979895  -0.47630800
 C   0.49683490  -0.69183888   0.01327854
 C  -1.37713223   1.40314716   0.01882712
 C  -0.09729422   1.63239152   0.47482742
 C   0.82442732   0.56646609   0.45915545
 O   2.13388011   0.82447651   0.92980749
Al   2.82863941   2.03018930   2.33623269
Cl   2.76542196   3.95829624   1.41609419
Cl   1.45806098   1.73912734   3.93790970
Cl   4.76285508   1.12684522   2.48527264
 H  -0.48084658  -3.03246168  -0.95320082
 H  -2.78329132  -3.41166808  -1.78946769
 H  -4.44694767  -1.55155932  -1.79436337
 H  -3.81018467   0.69607186  -0.95360000
 H   1.22661309  -1.50608668   0.04834894
 H   2.81551529   0.29424298   0.43425366
 H  -2.10666127   2.21792928   0.02489411
 H   0.21631621   2.61561588   0.83490335
Cl   4.22463345  -0.63723356  -0.96539008
 H   3.49329041  -0.52594645  -2.03006638
 25
 Energy -2543.933520253 Gradient 0.00006089
 C  -1.20617957  -2.22161126  -0.95555034
 C  -2.48450446  -2.42574512  -1.43145306
 C  -3.42394684  -1.36693618  -1.44446136
 C  -3.07091999  -0.11860866  -0.97670530
 C  -1.76448078   0.12785533  -0.47865216
 C  -0.80969213  -0.94662635  -0.47188134
 C   0.49658942  -0.70330464   0.02930798
 C  -1.36838303   1.39947609   0.01442483
 C  -0.09179076   1.62416400   0.48187135
 C   0.82564546   0.55449458   0.47581697
 O   2.13306401   0.80610708   0.95631795
Al   2.83087614   2.02954854   2.34532241
Cl   2.76792723   3.94594243   1.40033827
Cl   1.46218720   1.76052141   3.95232489
Cl   4.76506921   1.12760459   2.50022189
 H  -0.48201761  -3.04156037  -0.94206774
 H  -2.77782321  -3.41194373  -1.80036833
 H  -4.43295944  -1.54447799  -1.82486556
 H  -3.79479542   0.70159626  -0.98108252
 H   1.22291883  -1.52022735   0.07197086
 H   2.81588500   0.28548372   0.45223675
 H  -2.09449352   2.21733105   0.01247974
 H   0.22257562   2.60680060   0.84282816
Cl   4.19485278  -0.62253822  -0.99290618
 H   3.43164341  -0.48831665  -2.03231809
 25
 Energy -2543.933473967 Gradient 0.00008400
 C  -1.20290125  -2.22754177  -0.95098452
 C  -2.47692055  -2.42704197  -1.44019410
 C  -3.41111486  -1.36381309  -1.46645664
 C  -3.05743106  -0.11584444  -0.99823407
 C  -1.75527648   0.12597613  -0.48677858
 C  -0.80564727  -0.95292000  -0.46695230
 C   0.49665535  -0.71386950   0.04638568
 C  -1.35841986   1.39713446   0.00687382
 C  -0.08537033   1.61767532   0.48601732
 C   0.82740346   0.54404805   0.49161569
 O   2.13263066   0.78972684   0.98186154
Al   2.83339825   2.02939344   2.35491098
Cl   2.76865072   3.93552328   1.38898368
Cl   1.46785004   1.77859357   3.96741392
Cl   4.76819631   1.12987958   2.51320119
 H  -0.48274442  -3.05078673  -0.92726168
 H  -2.77090117  -3.41290757  -1.80946800
 H  -4.41672045  -1.53768955  -1.85744072
 H  -3.77740724   0.70766864  -1.01276206
 H   1.21878535  -1.53389715   0.09929442
 H   2.81663647   0.27765969   0.47057051
 H  -2.08079093   2.21822574  -0.00462182
 H   0.22987074   2.60016248   0.84656717
Cl   4.16071185  -0.61084317  -1.02080802
 H   3.35079397  -0.48130191  -2.02485953
 25
 Energy -2543.933410564 Gradient 0.00009838
 C  -1.19861083  -2.23330042  -0.94643601
 C  -2.46790682  -2.42836042  -1.44946424
 C  -3.39685233  -1.36094170  -1.48927050
 C  -3.04292599  -0.11332697  -1.02032443
 C  -1.74550180   0.12408398  -0.49496243
 C  -0.80100715  -0.95900865  -0.46178456
 C   0.49707881  -0.72372775   0.06363187
 C  -1.34835411   1.39489009  -0.00066185
 C  -0.07903651   1.61172949   0.49016751
 C   0.82919941   0.53446775   0.50729515
 O   2.13253608   0.77500432   1.00625969
Al   2.83581618   2.02965434   2.36442179
Cl   2.76914079   3.92671646   1.38015875
Cl   1.47365484   1.79551806   3.98217630
Cl   4.77194438   1.13403925   2.52534889
 H  -0.48247047  -3.05967723  -0.91245309
 H  -2.76222129  -3.41388860  -1.81936918
 H  -4.39870278  -1.53133446  -1.89126570
 H  -3.75898122   0.71334464  -1.04519388
 H   1.21551040  -1.54621179   0.12640339
 H   2.81705342   0.27074053   0.48799176
 H  -2.06713426   2.21894198  -0.02174606
 H   0.23683859   2.59416130   0.85029581
Cl   4.12309664  -0.60412227  -1.04853620
 H   3.28681518  -0.44735885  -2.02682505
 25
 Energy -2543.933351752 Gradient 0.00011708
 C  -1.19375131  -2.23872826  -0.94099121
 C  -2.45828716  -2.42993213  -1.45727410
 C  -3.38192999  -1.35850118  -1.51095005
 C  -3.02780874  -0.11088286  -1.04213891
 C  -1.73517489   0.12265123  -0.50332748
 C  -0.79585071  -0.96443041  -0.45658429
 C   0.49792129  -0.73277314   0.08080651
 C  -1.33769026   1.39331742  -0.00894207
 C  -0.07225705   1.60664593   0.49351225
 C   0.83139169   0.52581535   0.52249301
 O   2.13283339   0.76164485   1.02974343
Al   2.83859244   2.03084439   2.37360649
Cl   2.76626434   3.91869895   1.37159677
Cl   1.48141704   1.81041689   3.99729448
Cl   4.77653079   1.13994927   2.53533269
 H  -0.48154007  -3.06798441  -0.89638010
 H  -2.75290941  -3.41540550  -1.82706590
 H  -4.37999187  -1.52582880  -1.92352811
 H  -3.73996634   0.71876437  -1.07763112
 H   1.21252358  -1.55785162   0.15245001
 H   2.81779089   0.26321878   0.50651957
 H  -2.05273707   2.22031085  -0.03987702
 H   0.24425113   2.58913538   0.85285660
Cl   4.08368659  -0.60064431  -1.07478898
 H   3.22074419  -0.41319763  -2.02406337
 25
 Energy -2543.933212769 Gradient 0.00013406
 C  -1.18861486  -2.24441431  -0.93487442
 C  -2.44822350  -2.43183673  -1.46446466
 C  -3.36636491  -1.35645848  -1.53252307
 C  -3.01210075  -0.10865561  -1.06427208
 C  -1.72446596   0.12104155  -0.51215783
 C  -0.79039339  -0.96993643  -0.45124398
 C   0.49916651  -0.74122760   0.09767431
 C  -1.32563693   1.39115802  -0.01798697
 C  -0.06443313   1.60234341   0.49552365
 C   0.83448697   0.51802618   0.53660763
 O   2.13387845   0.74960645   1.05176260
Al   2.84121961   2.03252126   2.38253125
Cl   2.76256663   3.91252056   1.36597623
Cl   1.48900999   1.82353930   4.01175476
Cl   4.78148914   1.14709322   2.54345542
 H  -0.48069299  -3.07666501  -0.87927851
 H  -2.74323923  -3.41735646  -1.83381755
 H  -4.36045083  -1.52092516  -1.95571548
 H  -3.72013795   0.72396950  -1.11068493
 H   1.20953695  -1.56894890   0.17991953
 H   2.81918893   0.25571898   0.52478732
 H  -2.03694712   2.22102993  -0.05894138
 H   0.25251201   2.58525877   0.85332617
Cl   4.04291902  -0.59822975  -1.10000990
 H   3.13461748  -0.42273438  -2.00857381
 25
 Energy -2543.933127718 Gradient 0.00015256
 C  -1.18138123  -2.25014157  -0.92936209
 C  -2.43575659  -2.43454679  -1.47223753
 C  -3.34903209  -1.35606839  -1.55415388
 C  -2.99544187  -0.10803843  -1.08609216
 C  -1.71301158   0.11885894  -0.52082771
 C  -0.78361478  -0.97533536  -0.44612054
 C   0.50133337  -0.74869738   0.11423397
 C  -1.31481343   1.38938894  -0.02726321
 C  -0.05762638   1.59856966   0.49695142
 C   0.83733136   0.51155888   0.55008249
 O   2.13470357   0.74002868   1.07255213
Al   2.84337081   2.03516336   2.39147058
Cl   2.75885046   3.90797618   1.36185982
Cl   1.49634926   1.83548178   4.02602164
Cl   4.78606094   1.15515486   2.55097238
 H  -0.47824399  -3.08555166  -0.86374813
 H  -2.73037434  -3.42021667  -1.84152366
 H  -4.33892307  -1.51834484  -1.98786905
 H  -3.69985827   0.72699414  -1.14310605
 H   1.20807079  -1.57836438   0.20706890
 H   2.82064054   0.25166596   0.54120554
 H  -2.02294401   2.22143223  -0.07815628
 H   0.25942827   2.58198785   0.85320797
Cl   4.00028078  -0.59869064  -1.12424011
 H   3.05500574  -0.42872056  -1.99527681
 25
 Energy -2543.933081162 Gradient 0.00017324
 C  -1.17301065  -2.25457097  -0.92551168
 C  -2.42190307  -2.43663692  -1.48153296
 C  -3.33094031  -1.35548500  -1.57565607
 C  -2.97867318  -0.10748795  -1.10648993
 C  -1.70156160   0.11717170  -0.52828007
 C  -0.77656046  -0.97967347  -0.44138492
 C   0.50381712  -0.75526526   0.12995675
 C  -1.30509509   1.38849315  -0.03477664
 C  -0.05138238   1.59495104   0.49945741
 C   0.84017424   0.50578178   0.56334013
 O   2.13575031   0.73162576   1.09229040
Al   2.84562965   2.03801502   2.40026518
Cl   2.75491184   3.90381557   1.35796159
Cl   1.50357073   1.84632392   4.03972822
Cl   4.79098990   1.16424803   2.55847207
 H  -0.47201628  -3.09111438  -0.84983726
 H  -2.71547208  -3.42223444  -1.85180726
 H  -4.31657534  -1.51567742  -2.01973102
 H  -3.67997751   0.72945060  -1.17299357
 H   1.20715467  -1.58667826   0.23204806
 H   2.82192490   0.24711726   0.55796195
 H  -2.01023754   2.22240469  -0.09446520
 H   0.26594382   2.57867864   0.85463355
Cl   3.95656626  -0.60250382  -1.14805516
 H   2.97331183  -0.43247429  -1.97630861
 25
 Energy -2543.932967508 Gradient 0.00019221
 C  -1.16487220  -2.25781456  -0.92362548
 C  -2.40847267  -2.43673800  -1.49236175
 C  -3.31316159  -1.35290129  -1.59709059
 C  -2.96216227  -0.10545334  -1.12550634
 C  -1.69025634   0.11614576  -0.53475086
 C  -0.76948607  -0.98336926  -0.43743198
 C   0.50661439  -0.76157787   0.14437504
 C  -1.29454447   1.38696225  -0.03939150
 C  -0.04449362   1.59104154   0.50437335
 C   0.84371490   0.49971178   0.57675587
 O   2.13783350   0.72259108   1.11137623
Al   2.84850699   2.04072966   2.40842476
Cl   2.74920972   3.89989639   1.35452689
Cl   1.51098485   1.85687052   4.05235038
Cl   4.79684507   1.17431554   2.56593315
 H  -0.46714655  -3.09630554  -0.83974858
 H  -2.70117608  -3.42185210  -1.86459015
 H  -4.29458076  -1.51062418  -2.05126864
 H  -3.66030330   0.73344130  -1.20014213
 H   1.20653166  -1.59482600   0.25438627
 H   2.82385514   0.24158879   0.57377387
 H  -1.99680513   2.22276315  -0.10625375
 H   0.27274798   2.57473382   0.85962233
Cl   3.91210204  -0.60908841  -1.17124157
 H   2.89401320  -0.44626383  -1.95768449
 25
 Energy -2543.9328277 Gradient 0.00021575
 C  -1.15627233  -2.26041724  -0.92309037
 C  -2.39438338  -2.43586729  -1.50473696
 C  -3.29491525  -1.34950276  -1.61889076
 C  -2.94544928  -0.10302067  -1.14364484
 C  -1.67889957   0.11520170  -0.54029958
 C  -0.76222621  -0.98683180  -0.43357216
 C   0.50959179  -0.76763805   0.15860601
 C  -1.28408932   1.38529074  -0.04238807
 C  -0.03759690   1.58708821   0.51043542
 C   0.84751008   0.49382672   0.59031680
 O   2.14029011   0.71399158   1.13000015
Al   2.85153422   2.04410832   2.41602928
Cl   2.74353644   3.89654034   1.35137259
Cl   1.51795186   1.86659467   4.06388000
Cl   4.80287195   1.18520561   2.57390310
 H  -0.46172567  -3.10077750  -0.83199507
 H  -2.68598129  -3.42015503  -1.87999149
 H  -4.27196716  -1.50451560  -2.08329698
 H  -3.64045349   0.73779048  -1.22551193
 H   1.20629172  -1.60259788   0.27561588
 H   2.82605158   0.23435102   0.59111550
 H  -1.98364617   2.22282290  -0.11565737
 H   0.27956120   2.57067560   0.86602762
Cl   3.86683158  -0.61811527  -1.19415538
 H   2.81041112  -0.46165141  -1.93024782
 25
 Energy -2543.932685386 Gradient 0.00025010
 C  -1.14647138  -2.26252073  -0.92397051
 C  -2.37893782  -2.43449918  -1.51851813
 C  -3.27591251  -1.34616073  -1.64084573
 C  -2.92878987  -0.10095705  -1.16064843
 C  -1.66771623   0.11404255  -0.54480301
 C  -0.75441217  -0.99003582  -0.42993000
 C   0.51293113  -0.77298245   0.17251642
 C  -1.27468321   1.38323429  -0.04333498
 C  -0.03166075   1.58329323   0.51795575
 C   0.85107379   0.48865359   0.60404846
 O   2.14285801   0.70671659   1.14760412
Al   2.85454485   2.04798989   2.42374629
Cl   2.73949477   3.89383520   1.34811965
Cl   1.52345037   1.87465626   4.07404055
Cl   4.80916995   1.19753770   2.58172327
 H  -0.45574565  -3.10526101  -0.82730363
 H  -2.66877759  -3.41776318  -1.89781896
 H  -4.24840278  -1.49866387  -2.11550542
 H  -3.62112011   0.74142034  -1.24874998
 H   1.20686678  -1.60926633   0.29607052
 H   2.82779952   0.22841178   0.60688571
 H  -1.97214098   2.22202537  -0.12203152
 H   0.28455885   2.56697573   0.87408328
Cl   3.82028294  -0.62928298  -1.21571697
 H   2.73389204  -0.47540455  -1.90714458
 25
 Energy -2543.932499884 Gradient 0.00028980
 C  -1.13558326  -2.26367581  -0.92587165
 C  -2.36182870  -2.43274648  -1.53388310
 C  -3.25603124  -1.34282241  -1.66300815
 C  -2.91257804  -0.09918305  -1.17606367
 C  -1.65736615   0.11307031  -0.54744360
 C  -0.74687552  -0.99249655  -0.42591134
 C   0.51628227  -0.77764109   0.18605340
 C  -1.26649751   1.38103862  -0.04115304
 C  -0.02651442   1.57946453   0.52754336
 C   0.85469013   0.48398636   0.61780000
 O   2.14590656   0.70020387   1.16372224
Al   2.85803614   2.05197590   2.43032534
Cl   2.73602389   3.89202073   1.34532508
Cl   1.52777284   1.88014835   4.08130060
Cl   4.81653035   1.21142084   2.58872970
 H  -0.44590678  -3.10674373  -0.82330728
 H  -2.64889394  -3.41468466  -1.91864937
 H  -4.22363024  -1.49287301  -2.14836545
 H  -3.60298240   0.74420704  -1.26945147
 H   1.20761628  -1.61519900   0.31516220
 H   2.83000484   0.22373140   0.62038608
 H  -1.96238423   2.22076835  -0.12364070
 H   0.28904418   2.56266018   0.88544639
Cl   3.77268533  -0.64155108  -1.23491417
 H   2.65099485  -0.50071837  -1.87143941
 25
 Energy -2543.932308827 Gradient 0.00037147
 C  -1.12393717  -2.26386334  -0.92998280
 C  -2.34392840  -2.42951494  -1.55136009
 C  -3.23618531  -1.33850438  -1.68484957
 C  -2.89707171  -0.09713374  -1.18914101
 C  -1.64764491   0.11202662  -0.54812887
 C  -0.73924383  -0.99468286  -0.42190799
 C   0.51975190  -0.78190451   0.19936904
 C  -1.25948480   1.37842640  -0.03584294
 C  -0.02223399   1.57557270   0.53925607
 C   0.85811437   0.47963600   0.63202431
 O   2.14978593   0.69489862   1.17751779
Al   2.86240318   2.05566127   2.43467829
Cl   2.73386761   3.89120163   1.34280169
Cl   1.53078925   1.88196790   4.08447172
Cl   4.82518344   1.22647011   2.59477304
 H  -0.43579155  -3.10777692  -0.82392622
 H  -2.62753835  -3.40958838  -1.94335514
 H  -4.19884484  -1.48593778  -2.18066425
 H  -3.58601893   0.74702872  -1.28602011
 H   1.20884613  -1.62050878   0.33342258
 H   2.83189841   0.21988535   0.63039038
 H  -1.95434975   2.21875086  -0.12084934
 H   0.29218646   2.55848447   0.89889933
Cl   3.72337076  -0.65386380  -1.24861497
 H   2.57009021  -0.53691905  -1.83131190
 25
 Energy -2543.932072034 Gradient 0.00047717
 C  -1.11065502  -2.26287396  -0.93707611
 C  -2.32498781  -2.42568918  -1.57012742
 C  -3.21714284  -1.33467696  -1.70429961
 C  -2.88331276  -0.09589445  -1.19856990
 C  -1.63880398   0.11093461  -0.54738705
 C  -0.73112498  -0.99605269  -0.41941797
 C   0.52393887  -0.78500123   0.21038065
 C  -1.25374252   1.37555691  -0.02837351
 C  -0.01844232   1.57205442   0.55125887
 C   0.86207725   0.47638681   0.64465793
 O   2.15430858   0.69068859   1.18871746
Al   2.86781538   2.05923029   2.43700679
Cl   2.73445024   3.89090600   1.33954514
Cl   1.53171990   1.87956427   4.08268283
Cl   4.83491092   1.24181338   2.59999397
 H  -0.42274780  -3.10685408  -0.83007474
 H  -2.60431889  -3.40352480  -1.97068700
 H  -4.17555433  -1.47999863  -2.20892213
 H  -3.57219569   0.74822446  -1.29636676
 H   1.21093339  -1.62462079   0.34842569
 H   2.83422614   0.21697125   0.63721394
 H  -1.94853911   2.21589831  -0.11379009
 H   0.29441547   2.55456392   0.91321155
Cl   3.67162518  -0.66450759  -1.25362653
 H   2.48626519  -0.57210302  -1.77480863
 25
 Energy -2543.931770177 Gradient 0.00068184
 C  -1.09561927  -2.26055634  -0.94767887
 C  -2.30575409  -2.42172340  -1.58908090
 C  -3.20050902  -1.33235194  -1.71896942
 C  -2.87266868  -0.09618816  -1.20292829
 C  -1.63131986   0.10970237  -0.54551943
 C  -0.72251637  -0.99639008  -0.41917170
 C   0.52913904  -0.78622826   0.21779250
 C  -1.24947866   1.37272412  -0.02009278
 C  -0.01516572   1.56979437   0.56164429
 C   0.86657017   0.47505234   0.65437927
 O   2.15910749   0.68866255   1.19636361
Al   2.87442491   2.06230718   2.43684680
Cl   2.73722288   3.89111361   1.33494640
Cl   1.53085872   1.87218565   4.07540671
Cl   4.84516481   1.25580183   2.60415669
 H  -0.40585445  -3.10336763  -0.84316582
 H  -2.57989646  -3.39705550  -1.99916541
 H  -4.15606149  -1.47672843  -2.22916546
 H  -3.56333246   0.74669554  -1.29840986
 H   1.21369769  -1.62690968   0.36128001
 H   2.83749914   0.21436053   0.64209973
 H  -1.94532458   2.21233428  -0.10407992
 H   0.29582282   2.55208464   0.92573355
Cl   3.61976924  -0.67187769  -1.24745626
 H   2.40033628  -0.59307542  -1.68743228
 25
 Energy -2543.931336114 Gradient 0.00099939
 C  -1.07889743  -2.25674746  -0.96211294
 C  -2.28723068  -2.41802834  -1.60679863
 C  -3.18755107  -1.33217650  -1.72699328
 C  -2.86536161  -0.09818078  -1.20217123
 C  -1.62472230   0.10871790  -0.54389197
 C  -0.71308884  -0.99536420  -0.42239467
 C   0.53520788  -0.78559044   0.22126636
 C  -1.24596947   1.37037270  -0.01281747
 C  -0.01191346   1.56892404   0.56921019
 C   0.87158010   0.47564828   0.66093150
 O   2.16413569   0.68835008   1.20084010
Al   2.88239950   2.06497670   2.43406541
Cl   2.73966247   3.89207730   1.32972562
Cl   1.52960906   1.86078270   4.06323112
Cl   4.85568647   1.26653258   2.60771182
 H  -0.38536396  -3.09714594  -0.86366833
 H  -2.55603207  -3.39087604  -2.02621015
 H  -4.14267841  -1.47721543  -2.23787291
 H  -3.55982923   0.74223236  -1.29192384
 H   1.21664094  -1.62762086   0.37106434
 H   2.84056932   0.21226319   0.64383600
 H  -1.94383055   2.20863634  -0.09381628
 H   0.29705297   2.55103439   0.93525308
Cl   3.56920994  -0.67476596  -1.23023521
 H   2.32079247  -0.61391144  -1.59056185
 25
 Energy -2543.930736219 Gradient 0.00146758
 C  -1.06178959  -2.25220565  -0.97935249
 C  -2.27161275  -2.41533241  -1.62070212
 C  -3.17891448  -1.33395512  -1.72791433
 C  -2.86032258  -0.10111520  -1.19810294
 C  -1.61778100   0.10810354  -0.54436528
 C  -0.70231087  -0.99320241  -0.43027782
 C   0.54303283  -0.78352877   0.21916633
 C  -1.24241305   1.36815698  -0.00692477
 C  -0.00835280   1.56866820   0.57472297
 C   0.87764910   0.47738623   0.66386429
 O   2.16959010   0.68928608   1.20188572
Al   2.89142532   2.06676223   2.42880931
Cl   2.73969707   3.89374281   1.32509499
Cl   1.52919940   1.84867465   4.04791805
Cl   4.86566981   1.27261484   2.61162379
 H  -0.36315820  -3.08935836  -0.88935909
 H  -2.53651704  -3.38637749  -2.04665556
 H  -4.13615421  -1.48122429  -2.23402467
 H  -3.55956579   0.73604337  -1.27996124
 H   1.21955978  -1.62785059   0.37789867
 H   2.84455763   0.21086086   0.64227903
 H  -1.94327057   2.20439385  -0.08266003
 H   0.29778281   2.55030559   0.94430783
Cl   3.52127354  -0.67352404  -1.20504200
 H   2.25211741  -0.62815437  -1.49236042
 25
 Energy -2543.9298539 Gradient 0.00216664
 C  -1.04572723  -2.24801512  -0.99768052
 C  -2.26038484  -2.41382851  -1.62919786
 C  -3.17360779  -1.33634158  -1.72369112
 C  -2.85510681  -0.10347041  -1.19393101
 C  -1.60932630   0.10764018  -0.54751161
 C  -0.68991818  -0.99077738  -0.44275550
 C   0.55317370  -0.78098331   0.21123917
 C  -1.23847500   1.36508289  -0.00093179
 C  -0.00464861   1.56757873   0.58034941
 C   0.88539139   0.47958252   0.66284120
 O   2.17633506   0.69223509   1.19803802
Al   2.90016280   2.06687476   2.42124822
Cl   2.73752600   3.89524680   1.32186612
Cl   1.53016919   1.83822655   4.03184494
Cl   4.87400866   1.27517280   2.61612107
 H  -0.34275370  -3.08241627  -0.91733096
 H  -2.52466256  -3.38418268  -2.05712494
 H  -4.13507064  -1.48623629  -2.22109097
 H  -3.55808131   0.73139684  -1.26743737
 H   1.22504448  -1.62729747   0.37823069
 H   2.85064164   0.21219942   0.63547917
 H  -1.94392266   2.19820327  -0.06852360
 H   0.29761832   2.54785971   0.95633293
Cl   3.47597690  -0.66923947  -1.17508028
 H   2.18720668  -0.63936968  -1.38780954
 25
 Energy -2543.9285591 Gradient 0.00325312
 C  -1.03211174  -2.24523591  -1.01544568
 C  -2.25417829  -2.41330408  -1.63228237
 C  -3.17050837  -1.33773515  -1.71667251
 C  -2.84829853  -0.10411413  -1.19131355
 C  -1.59857978   0.10708332  -0.55350481
 C  -0.67562254  -0.98892133  -0.45909677
 C   0.56626070  -0.77875419   0.19795045
 C  -1.23422417   1.36011443   0.00692066
 C  -0.00077921   1.56485309   0.58749333
 C   0.89487065   0.48153112   0.65832641
 O   2.18477205   0.69847336   1.18690917
Al   2.90688546   2.06451382   2.41237565
Cl   2.73437360   3.89575491   1.32015046
Cl   1.53215067   1.83062358   4.01738167
Cl   4.88025246   1.27586017   2.62052529
 H  -0.32645751  -3.07829129  -0.94394338
 H  -2.52148511  -3.38428717  -2.05679560
 H  -4.13717811  -1.48984919  -2.20285554
 H  -3.55322537   0.72960565  -1.25693054
 H   1.22900592  -1.62884263   0.38157647
 H   2.85960087   0.21797942   0.62011589
 H  -1.94601451   2.18867382  -0.04824118
 H   0.29643476   2.54281195   0.97336625
Cl   3.43319095  -0.66277699  -1.14255928
 H   2.13246339  -0.65402904  -1.28837340
 25
 Energy -2543.926644093 Gradient 0.00527074
 C  -1.02213251  -2.24481939  -1.03021969
 C  -2.25239543  -2.41317258  -1.63137124
 C  -3.16862642  -1.33718236  -1.71007499
 C  -2.84028762  -0.10372230  -1.18887966
 C  -1.58581117   0.10561977  -0.56131507
 C  -0.66027918  -0.98804942  -0.47884073
 C   0.58122805  -0.77625999   0.18013048
 C  -1.22936906   1.35277204   0.01595508
 C   0.00302957   1.56038959   0.59674470
 C   0.90649267   0.48435805   0.65066094
 O   2.19545526   0.70756282   1.17007131
Al   2.91134952   2.05932439   2.40252261
Cl   2.73113135   3.89519357   1.31972089
Cl   1.53427778   1.82612092   4.00632401
Cl   4.88428029   1.27601447   2.62433424
 H  -0.31760352  -3.07907358  -0.96455581
 H  -2.52628314  -3.38552281  -2.04860711
 H  -4.14058755  -1.48940785  -2.18588326
 H  -3.54567867   0.73037480  -1.24559967
 H   1.23285452  -1.63079191   0.38212863
 H   2.87069466   0.23145459   0.59322610
 H  -1.94940722   2.17512379  -0.02427360
 H   0.29330187   2.53500567   0.99570549
Cl   3.39390069  -0.65465739  -1.11030000
 H   2.07667640  -0.69360613  -1.17476680
 25
 Energy -2543.923822009 Gradient 0.01183317
 C  -1.01726954  -2.24561684  -1.03843460
 C  -2.25399492  -2.41207161  -1.62915388
 C  -3.16920006  -1.33555008  -1.70715563
 C  -2.83474429  -0.10396664  -1.18590962
 C  -1.57466028   0.10147644  -0.56734059
 C  -0.64392400  -0.98824822  -0.49756116
 C   0.60360472  -0.77043972   0.15245659
 C  -1.22337262   1.34416844   0.02272029
 C   0.00585324   1.55741134   0.60879649
 C   0.91677456   0.48833351   0.64655778
 O   2.20660211   0.71242533   1.14761567
Al   2.91504619   2.05289696   2.39312962
Cl   2.72862753   3.89446889   1.31979965
Cl   1.53544490   1.82393901   3.99997373
Cl   4.88586444   1.27636293   2.62708716
 H  -0.31507360  -3.08252854  -0.97853278
 H  -2.53152845  -3.38597721  -2.04016157
 H  -4.14318172  -1.48695219  -2.17826402
 H  -3.53812798   0.73201842  -1.23475124
 H   1.22315512  -1.63286759   0.41749505
 H   2.88271511   0.24670702   0.55163853
 H  -1.94917756   2.16173419  -0.01020091
 H   0.28833655   2.53067612   1.01682589
Cl   3.36033195  -0.64636681  -1.08159922
 H   2.03771338  -0.74042290  -1.03232555
 25
 Energy -2543.918696126 Gradient 0.00005776
 C  -1.01588958  -2.24482974  -1.04052851
 C  -2.25648405  -2.41055543  -1.62873689
 C  -3.17071080  -1.33530065  -1.70732759
 C  -2.83390470  -0.10424373  -1.18426388
 C  -1.57059381   0.09621598  -0.56939263
 C  -0.63598222  -0.99000085  -0.50802401
 C   0.63759695  -0.76693485   0.11805111
 C  -1.21842464   1.33769403   0.02530925
 C   0.00790828   1.55803423   0.62014928
 C   0.92428423   0.49649139   0.65486817
 O   2.21126849   0.70835671   1.12393795
Al   2.91813190   2.04864705   2.38737082
Cl   2.72727996   3.89424878   1.31987062
Cl   1.53548843   1.82321301   3.99790021
Cl   4.88580239   1.27682229   2.62845779
 H  -0.31760812  -3.08439841  -0.98464854
 H  -2.53913768  -3.38483620  -2.03587029
 H  -4.14671562  -1.48473623  -2.17630294
 H  -3.53650493   0.73315812  -1.23097693
 H   1.16436029  -1.63724759   0.52747093
 H   2.87667479   0.23784139   0.49252600
 H  -1.94529319   2.15494336  -0.01163435
 H   0.28265645   2.53418495   1.02613258
Cl   3.34157413  -0.64002550  -1.06387125
 H   1.95865338  -0.76409365  -0.86206493
 25
 Energy -2543.911525267  ZPE 0.157963  G(298.15) 69.13
 C  -1.01391331  -2.24233654  -1.04057288
 C  -2.25770935  -2.40943571  -1.63011293
 C  -3.17036139  -1.33672836  -1.70830606
 C  -2.83365040  -0.10407985  -1.18378041
 C  -1.57116627   0.09178232  -0.56966027
 C  -0.64123662  -0.99283121  -0.51150350
 C   0.66406945  -0.77112942   0.09538467
 C  -1.21515422   1.33479504   0.02582678
 C   0.00891912   1.56009583   0.62781765
 C   0.93616400   0.51069367   0.67018328
 O   2.20694736   0.70233638   1.10772326
Al   2.91930507   2.04653913   2.38455599
Cl   2.72675883   3.89457800   1.32009593
Cl   1.53525488   1.82307558   3.99789521
Cl   4.88563670   1.27732581   2.62909756
 H  -0.31082027  -3.07840197  -0.98972284
 H  -2.53407069  -3.38356948  -2.04148919
 H  -4.14380827  -1.48573429  -2.18111868
 H  -3.53500243   0.73367210  -1.23205057
 H   1.09122866  -1.62804107   0.63825511
 H   2.89022125   0.18000526   0.37195693
 H  -1.94091797   2.15349629  -0.01517818
 H   0.27759683   2.53882465   1.03278883
Cl   3.34430258  -0.63457231  -1.05591093
 H   1.68140646  -0.78035985  -0.74217474
 25
 Energy -2543.918730109 Gradient 0.00005776
 C  -1.01302821  -2.23992080  -1.04084813
 C  -2.25928178  -2.40876250  -1.63225692
 C  -3.16995072  -1.33879093  -1.70955627
 C  -2.83304581  -0.10372831  -1.18348823
 C  -1.57338103   0.08729258  -0.56971790
 C  -0.65202567  -0.99530581  -0.51069547
 C   0.66903508  -0.77712853   0.09019010
 C  -1.21105424   1.33447396   0.02678379
 C   0.00569802   1.56371742   0.63327739
 C   0.95612698   0.52481157   0.68301212
 O   2.19129899   0.70369560   1.10693536
Al   2.91808168   2.04361773   2.38087589
Cl   2.72661561   3.89521487   1.32027213
Cl   1.53516912   1.82312610   3.99854730
Cl   4.88581636   1.27769676   2.62958294
 H  -0.30522693  -3.07281972  -0.99209362
 H  -2.52925120  -3.38282057  -2.04765098
 H  -4.14104269  -1.48737328  -2.18574167
 H  -3.53375502   0.73395894  -1.23311424
 H   1.03729414  -1.61222656   0.70919821
 H   3.00577029   0.05055586   0.15163209
 H  -1.93721881   2.15325311  -0.01862364
 H   0.26875700   2.54299012   1.04140248
Cl   3.35619441  -0.63040472  -1.05344202
 H   1.48304384  -0.81266242  -0.72748859
 25
 Energy -2543.92280966 Gradient 0.01407775
 C  -1.01908208  -2.23411509  -1.04456074
 C  -2.26605000  -2.40389878  -1.63649219
 C  -3.17525982  -1.33465548  -1.71179059
 C  -2.83698932  -0.09813465  -1.18599478
 C  -1.57871285   0.09071457  -0.57279594
 C  -0.66433381  -0.99180926  -0.51042579
 C   0.66303043  -0.77606599   0.08925167
 C  -1.20947012   1.34077775   0.02201626
 C   0.00199468   1.57283229   0.63083825
 C   0.96465733   0.53774271   0.68147232
 O   2.17512517   0.71290832   1.11919605
Al   2.91397286   2.04177485   2.37571790
Cl   2.72712029   3.89792445   1.32009049
Cl   1.53400856   1.82447324   3.99828130
Cl   4.88420881   1.27778847   2.62885597
 H  -0.31194987  -3.06728474  -0.99454514
 H  -2.53853222  -3.37843198  -2.04973617
 H  -4.14931357  -1.48378651  -2.18272853
 H  -3.53997903   0.73805851  -1.23297098
 H   1.00035903  -1.59796357   0.74320927
 H   3.08847022  -0.01136304   0.10854651
 H  -1.93761420   2.15810835  -0.02408642
 H   0.25788859   2.55155503   1.04411683
Cl   3.38451151  -0.65716200  -1.04338499
 H   1.43635743  -0.84379052  -0.73666924
 25
 Energy -2543.926730489 Gradient 0.00710050
 C  -1.02841214  -2.23330609  -1.04277467
 C  -2.27335181  -2.40364683  -1.64096663
 C  -3.18108606  -1.33469926  -1.71491521
 C  -2.84308255  -0.09764952  -1.18695896
 C  -1.58844287   0.08913942  -0.56813505
 C  -0.68078560  -0.99410513  -0.49919322
 C   0.65282837  -0.77940627   0.10321139
 C  -1.21277145   1.34317208   0.02188633
 C  -0.00742994   1.58048174   0.63625014
 C   0.96474676   0.54956063   0.68623423
 O   2.15359442   0.72183377   1.14680432
Al   2.90731305   2.03667118   2.36927611
Cl   2.72774416   3.89903149   1.31985048
Cl   1.53442309   1.82558228   4.00129015
Cl   4.88315508   1.27822149   2.62861009
 H  -0.32189591  -3.06642818  -0.99031186
 H  -2.54720248  -3.37643713  -2.05689087
 H  -4.15467913  -1.47930440  -2.18867684
 H  -3.54386905   0.74051159  -1.24025316
 H   0.94387822  -1.57685197   0.80937259
 H   3.18673492  -0.05612778   0.08724623
 H  -1.93913787   2.16197345  -0.03326881
 H   0.24091315   2.56069323   1.05104786
Cl   3.42697423  -0.66386666  -1.06636248
 H   1.41177134  -0.89955505  -0.71346745
 25
 Energy -2543.929669734 Gradient 0.00458246
 C  -1.04016957  -2.23216019  -1.03785823
 C  -2.28236724  -2.40123769  -1.64417738
 C  -3.18911824  -1.33212967  -1.71943623
 C  -2.85142454  -0.09623634  -1.18735959
 C  -1.59927692   0.08895643  -0.56208344
 C  -0.69199848  -0.99492056  -0.48959156
 C   0.64232318  -0.78293120   0.12387060
 C  -1.22245600   1.34679958   0.02171587
 C  -0.01853443   1.58705501   0.63739158
 C   0.95461762   0.55545304   0.69256553
 O   2.13707814   0.72247447   1.16635082
Al   2.90030854   2.03399320   2.36627382
Cl   2.72850967   3.89973493   1.31946777
Cl   1.53514452   1.82782250   4.00635633
Cl   4.87985628   1.27899645   2.62733004
 H  -0.33325977  -3.06543412  -0.98694405
 H  -2.55164363  -3.37294989  -2.06591200
 H  -4.16012142  -1.47506229  -2.19873473
 H  -3.55084335   0.74260374  -1.24360126
 H   0.89210527  -1.55632907   0.87312477
 H   3.24521528  -0.07635224   0.06587913
 H  -1.94917356   2.16488652  -0.03776642
 H   0.22839599   2.56816634   1.05087796
Cl   3.47725720  -0.67160275  -1.09229117
 H   1.42170353  -0.94764459  -0.66141980
 25
 Energy -2543.931913683 Gradient 0.00336577
 C  -1.05194367  -2.23040252  -1.03297473
 C  -2.29189096  -2.39720503  -1.64640150
 C  -3.19732255  -1.32803070  -1.72390986
 C  -2.85983075  -0.09394902  -1.18632607
 C  -1.60955849   0.08865984  -0.55674361
 C  -0.70237796  -0.99518438  -0.48253172
 C   0.63049152  -0.78940269   0.14535317
 C  -1.23276932   1.34932569   0.02342414
 C  -0.02934873   1.59092959   0.63817628
 C   0.94575560   0.55823888   0.69922604
 O   2.12267347   0.72118886   1.17741223
Al   2.89298598   2.03292668   2.36591482
Cl   2.72893247   3.89985109   1.31890187
Cl   1.53591654   1.83136778   4.01364978
Cl   4.87438803   1.27981849   2.62487995
 H  -0.34751705  -3.06551312  -0.98101420
 H  -2.55955080  -3.36757192  -2.07203654
 H  -4.16622770  -1.46777498  -2.20858090
 H  -3.55763985   0.74641833  -1.24359392
 H   0.83533005  -1.53859614   0.93333430
 H   3.30768040  -0.09150254   0.03737448
 H  -1.95919236   2.16756949  -0.04019943
 H   0.21867352   2.57397708   1.04671240
Cl   3.52960990  -0.67899853  -1.11771247
 H   1.42258573  -0.99575592  -0.61192143
 25
 Energy -2543.933502279 Gradient 0.00245274
 C  -1.06443360  -2.22912618  -1.02947924
 C  -2.30264673  -2.39260548  -1.64863397
 C  -3.20610468  -1.32238178  -1.72742117
 C  -2.86806573  -0.09049432  -1.18471238
 C  -1.61922863   0.08869072  -0.55137562
 C  -0.71276306  -0.99605011  -0.47621696
 C   0.61778779  -0.79688847   0.16616888
 C  -1.24185116   1.35062182   0.02660162
 C  -0.03789157   1.59247604   0.63915492
 C   0.93754402   0.55858560   0.70403952
 O   2.11170559   0.72095182   1.18448922
Al   2.88460330   2.03278137   2.36677912
Cl   2.72846745   3.89955298   1.31809797
Cl   1.53672605   1.83638838   4.02305886
Cl   4.86704872   1.28011705   2.62122568
 H  -0.36214210  -3.06618354  -0.97701496
 H  -2.56911489  -3.36184093  -2.07772158
 H  -4.17317359  -1.45942888  -2.21637251
 H  -3.56396632   0.75132184  -1.24181480
 H   0.78196415  -1.52293777   0.98584685
 H   3.37020866  -0.10105122   0.01265967
 H  -1.96781123   2.16906622  -0.03890324
 H   0.21188020   2.57661213   1.04402722
Cl   3.58321251  -0.68670923  -1.14257638
 H   1.42470627  -1.04059260  -0.56135719
 25
 Energy -2543.934637121 Gradient 0.00176584
 C  -1.07706012  -2.22785170  -1.02729941
 C  -2.31430270  -2.38717038  -1.65089955
 C  -3.21549660  -1.31558337  -1.72961333
 C  -2.87577850  -0.08611489  -1.18197401
 C  -1.62790245   0.08865562  -0.54574656
 C  -0.72265197  -0.99733924  -0.47064866
 C   0.60580263  -0.80438347   0.18453696
 C  -1.24944270   1.35132027   0.03091713
 C  -0.04459596   1.59285749   0.64032619
 C   0.93118012   0.55774244   0.70849690
 O   2.10236618   0.72002566   1.18977635
Al   2.87528627   2.03307702   2.36813213
Cl   2.72621451   3.89902195   1.31706844
Cl   1.53772958   1.84330205   4.03401635
Cl   4.85807131   1.27923375   2.61614162
 H  -0.37766340  -3.06727912  -0.97540740
 H  -2.58105011  -3.35469632  -2.08355795
 H  -4.18149091  -1.44886841  -2.22181895
 H  -3.56933874   0.75781147  -1.23832109
 H   0.73503278  -1.50957329   1.02920156
 H   3.44108231  -0.11657922  -0.00920582
 H  -1.97482967   2.17027533  -0.03545232
 H   0.20747237   2.57806352   1.04141308
Cl   3.63758304  -0.69478008  -1.16629275
 H   1.42183720  -1.07897226  -0.51872694
 25
 Energy -2543.935419391 Gradient 0.00123508
 C  -1.08906506  -2.22608571  -1.02652234
 C  -2.32602627  -2.38121443  -1.65270402
 C  -3.22512710  -1.30816155  -1.72993954
 C  -2.88326827  -0.08120346  -1.17775279
 C  -1.63569571   0.08926215  -0.54011971
 C  -0.73152610  -0.99806113  -0.46656935
 C   0.59607732  -0.80990343   0.19659031
 C  -1.25601637   1.35196135   0.03605701
 C  -0.05041266   1.59241280   0.64297358
 C   0.92500000   0.55599954   0.71285857
 O   2.09350249   0.71782823   1.19681866
Al   2.86500325   2.03333756   2.36972046
Cl   2.72116000   3.89815331   1.31570543
Cl   1.53906112   1.85265907   4.04606581
Cl   4.84813977   1.27649013   2.60891858
 H  -0.39199600  -3.06762679  -0.97618314
 H  -2.59340954  -3.34717856  -2.08851973
 H  -4.19057981  -1.43806060  -2.22405173
 H  -3.57515544   0.76401970  -1.23259808
 H   0.70289694  -1.50188442   1.05572473
 H   3.52507078  -0.12486351  -0.02879001
 H  -1.98096838   2.17127678  -0.03004728
 H   0.20376142   2.57793174   1.04202461
Cl   3.69273743  -0.70415299  -1.18797360
 H   1.41921598  -1.10292711  -0.48951459
 25
 Energy -2543.935991939 Gradient 0.00085716
 C  -1.09938807  -2.22338760  -1.02778301
 C  -2.33728895  -2.37529949  -1.65374835
 C  -3.23510140  -1.30122505  -1.72789418
 C  -2.89093011  -0.07646909  -1.17218808
 C  -1.64258183   0.09059906  -0.53556941
 C  -0.73872472  -0.99735359  -0.46557780
 C   0.59002252  -0.81196986   0.19943659
 C  -1.26233926   1.35289354   0.04171670
 C  -0.05654593   1.59193167   0.64721204
 C   0.91873701   0.55431087   0.71811376
 O   2.08323614   0.71432012   1.20754604
Al   2.85429410   2.03335971   2.37133415
Cl   2.71326616   3.89668186   1.31384193
Cl   1.54137998   1.86453038   4.05915642
Cl   4.83786982   1.27126177   2.59880517
 H  -0.40407767  -3.06650689  -0.98008163
 H  -2.60606907  -3.33988658  -2.09170498
 H  -4.20104854  -1.42835163  -2.22180470
 H  -3.58112819   0.77050004  -1.22341741
 H   0.69086615  -1.50258054   1.06051666
 H   3.63074665  -0.13654510  -0.04231664
 H  -1.98753956   2.17216493  -0.02249062
 H   0.19829668   2.57672853   1.04770490
Cl   3.74728054  -0.71451490  -1.20559042
 H   1.41539685  -1.10617921  -0.48267025
 25
 Energy -2543.9364421 Gradient 0.00063700
 C  -1.10717120  -2.21987102  -1.03151996
 C  -2.34706939  -2.37051413  -1.65433317
 C  -3.24491797  -1.29640762  -1.72414145
 C  -2.89877526  -0.07302841  -1.16653373
 C  -1.64873904   0.09252295  -0.53338801
 C  -0.74391891  -0.99501193  -0.46837134
 C   0.58725065  -0.81029911   0.19410966
 C  -1.26917155   1.35428596   0.04607855
 C  -0.06408303   1.59220048   0.65170765
 C   0.91111511   0.55359474   0.72401035
 O   2.06963003   0.71038243   1.22380989
Al   2.84389650   2.03276072   2.37310549
Cl   2.70425327   3.89424848   1.31177140
Cl   1.54551133   1.87800786   4.07319740
Cl   4.82853179   1.26350928   2.58469436
 H  -0.41235676  -3.06364030  -0.98700768
 H  -2.61714131  -3.33448303  -2.09289516
 H  -4.21227913  -1.42241121  -2.21554179
 H  -3.58895551   0.77418669  -1.21339667
 H   0.69453765  -1.50917820   1.04740428
 H   3.78088931  -0.15795058  -0.04342846
 H  -1.99570050   2.17256253  -0.01516059
 H   0.18925112   2.57556003   1.05669692
Cl   3.79744664  -0.72370888  -1.21704241
 H   1.41368451  -1.09108938  -0.49236666
 25
 Energy -2543.936908493 Gradient 0.00058457
 C  -1.11263641  -2.21614013  -1.03702810
 C  -2.35477582  -2.36770230  -1.65541204
 C  -3.25410557  -1.29477407  -1.72063903
 C  -2.90710996  -0.07173453  -1.16266875
 C  -1.65514159   0.09451347  -0.53402459
 C  -0.74833452  -0.99166224  -0.47378376
 C   0.58453224  -0.80641935   0.18619976
 C  -1.27742247   1.35642515   0.04727593
 C  -0.07372015   1.59387010   0.65413077
 C   0.90102590   0.55402520   0.73028009
 O   2.05186188   0.70653773   1.24376383
Al   2.83428343   2.03074208   2.37479567
Cl   2.69615110   3.89085068   1.30999336
Cl   1.55261796   1.89204363   4.08862833
Cl   4.82084225   1.25344224   2.56562508
 H  -0.41719949  -3.05954637  -0.99539386
 H  -2.62548976  -3.33165598  -2.09359202
 H  -4.22331321  -1.42124633  -2.20830044
 H  -3.59857387   0.77469006  -1.20540547
 H   0.70164832  -1.51633271   1.02867553
 H   3.96907294  -0.17438612  -0.04906424
 H  -2.00577561   2.17324759  -0.01182472
 H   0.17827447   2.57555123   1.06388627
Cl   3.84245762  -0.72905501  -1.22031426
 H   1.41199424  -1.06903221  -0.50599724
 25
 Energy -2543.937322752 Gradient 0.00057604
 C  -1.11799628  -2.21300463  -1.04368948
 C  -2.36201845  -2.36651762  -1.65790904
 C  -3.26362327  -1.29538505  -1.71893318
 C  -2.91674478  -0.07211712  -1.16133083
 C  -1.66307310   0.09603697  -0.53679656
 C  -0.75407090  -0.98854023  -0.48029095
 C   0.57978596  -0.80196701   0.17766369
 C  -1.28743697   1.35834560   0.04559578
 C  -0.08544329   1.59587117   0.65492109
 C   0.88822501   0.55478621   0.73556365
 O   2.03201884   0.70262681   1.26292719
Al   2.82659049   2.02783486   2.37638052
Cl   2.68896638   3.88639390   1.30835940
Cl   1.56407486   1.90657638   4.10552395
Cl   4.81412743   1.24102031   2.54176701
 H  -0.42111612  -3.05537033  -1.00450060
 H  -2.63248425  -3.33078859  -2.09555872
 H  -4.23447421  -1.42337429  -2.20290846
 H  -3.60997465   0.77302094  -1.20067014
 H   0.70694133  -1.52224798   1.00945368
 H   4.10534954  -0.17816992  -0.05364847
 H  -2.01728278   2.17386918  -0.01280236
 H   0.16452544   2.57628731   1.06890085
Cl   3.88670347  -0.72897333  -1.21400180
 H   1.40817422  -1.04716101  -0.51998831
 25
 Energy -2543.937709234 Gradient 0.00051014
 C  -1.12423611  -2.21070512  -1.05119954
 C  -2.36985207  -2.36616190  -1.66178146
 C  -3.27368035  -1.29678256  -1.71921553
 C  -2.92731898  -0.07315373  -1.16194978
 C  -1.67226109   0.09679823  -0.54093582
 C  -0.76105012  -0.98613582  -0.48772967
 C   0.57391958  -0.79778660   0.16782284
 C  -1.29853055   1.35918578   0.04281425
 C  -0.09828663   1.59679060   0.65519157
 C   0.87482324   0.55517376   0.73939256
 O   2.01255041   0.69905109   1.27892222
Al   2.82116891   2.02494107   2.37749385
Cl   2.68159094   3.88121353   1.30585415
Cl   1.57988321   1.92077856   4.12269422
Cl   4.80809599   1.22683898   2.51478930
 H  -0.42591112  -3.05196815  -1.01428670
 H  -2.63994999  -3.33071652  -2.09901464
 H  -4.24588982  -1.42630050  -2.20005728
 H  -3.62236694   0.77063769  -1.19847082
 H   0.71162849  -1.52822687   0.98867237
 H   4.17723488  -0.16953436  -0.04452870
 H  -2.02948989   2.17374657  -0.01524007
 H   0.14943261   2.57630234   1.07267564
Cl   3.92948778  -0.72390731  -1.19773609
 H   1.40142886  -1.02607567  -0.53669220
 25
 Energy -2543.938073774 Gradient 0.00048166
 C  -1.13069920  -2.20883988  -1.05921133
 C  -2.37770344  -2.36605850  -1.66658877
 C  -3.28351929  -1.29824166  -1.72093374
 C  -2.93773595  -0.07439990  -1.16376702
 C  -1.68148154   0.09723073  -0.54569103
 C  -0.76816028  -0.98413976  -0.49564930
 C   0.56814466  -0.79393581   0.15698292
 C  -1.30978918   1.35936000   0.04007895
 C  -0.11111957   1.59688772   0.65536957
 C   0.86185851   0.55519310   0.74153414
 O   1.99452320   0.69606378   1.29145793
Al   2.81687425   2.02194256   2.37714992
Cl   2.67392342   3.87584915   1.30223312
Cl   1.59893146   1.93271640   4.13890832
Cl   4.80258411   1.21216598   2.48641086
 H  -0.43099430  -3.04906320  -1.02437072
 H  -2.64735534  -3.33091657  -2.10343931
 H  -4.25682583  -1.42918102  -2.19914679
 H  -3.63438849   0.76816083  -1.19762618
 H   0.71681694  -1.53391355   0.96694971
 H   4.21803198  -0.15522815  -0.02131105
 H  -2.04196424   2.17288656  -0.01691704
 H   0.13424260   2.57487231   1.07773008
Cl   3.96803709  -0.71482163  -1.17285581
 H   1.39449673  -1.00573953  -0.55445661
 25
 Energy -2543.938437257 Gradient 0.00046995
 C  -1.13674235  -2.20711949  -1.06750395
 C  -2.38491007  -2.36610057  -1.67209385
 C  -3.29267596  -1.29984718  -1.72365253
 C  -2.94770261  -0.07581174  -1.16635781
 C  -1.69047985   0.09746431  -0.55076583
 C  -0.77502634  -0.98229763  -0.50375799
 C   0.56235779  -0.79019464   0.14635299
 C  -1.32097161   1.35926278   0.03726475
 C  -0.12376425   1.59682455   0.65520386
 C   0.84933365   0.55524857   0.74280260
 O   1.97721693   0.69336498   1.30203726
Al   2.81334739   2.01840674   2.37526309
Cl   2.66668222   3.87057761   1.29819263
Cl   1.61966635   1.94208901   4.15349599
Cl   4.79775521   1.19767517   2.45719038
 H  -0.43570273  -3.04629256  -1.03460107
 H  -2.65401198  -3.33119981  -2.10873407
 H  -4.26691277  -1.43211756  -2.19961218
 H  -3.64600872   0.76549032  -1.19778979
 H   0.72127819  -1.53881506   0.94605031
 H   4.25747726  -0.13765055   0.00691427
 H  -2.05451810   2.17164846  -0.01852056
 H   0.11927655   2.57352200   1.08183453
Cl   4.00170790  -0.70272646  -1.14158362
 H   1.38742418  -0.98645763  -0.57123621
 25
 Energy -2543.938798542 Gradient 0.00047495
 C  -1.14248916  -2.20564999  -1.07576809
 C  -2.39150164  -2.36625287  -1.67822384
 C  -3.30116553  -1.30151962  -1.72726779
 C  -2.95722165  -0.07735588  -1.16963196
 C  -1.69929048   0.09750042  -0.55597044
 C  -0.78188546  -0.98076774  -0.51146042
 C   0.55608844  -0.78694690   0.13694048
 C  -1.33181059   1.35907397   0.03386474
 C  -0.13594101   1.59684690   0.65421681
 C   0.83691161   0.55518885   0.74380085
 O   1.96031789   0.69066818   1.31193965
Al   2.81056336   2.01456129   2.37206855
Cl   2.66000155   3.86549763   1.29392246
Cl   1.64178513   1.94956125   4.16667006
Cl   4.79355030   1.18353397   2.42757544
 H  -0.44008588  -3.04375882  -1.04451874
 H  -2.65980516  -3.33154840  -2.11493341
 H  -4.27607663  -1.43511914  -2.20145636
 H  -3.65703843   0.76275158  -1.19895596
 H   0.72376719  -1.54285841   0.92767815
 H   4.29124664  -0.11925147   0.04102630
 H  -2.06650885   2.17045525  -0.02116452
 H   0.10495598   2.57255557   1.08426944
Cl   4.03124159  -0.68843813  -1.10630266
 H   1.38059080  -0.96946499  -0.58528607
 25
 Energy -2543.939177245 Gradient 0.00048304
 C  -1.14813677  -2.20441636  -1.08366947
 C  -2.39765973  -2.36647775  -1.68471406
 C  -3.30905759  -1.30315810  -1.73174613
 C  -2.96624869  -0.07885627  -1.17368117
 C  -1.70787240   0.09743313  -0.56135182
 C  -0.78876036  -0.97950821  -0.51869354
 C   0.54949847  -0.78419336   0.12882235
 C  -1.34220553   1.35887514   0.02997587
 C  -0.14760809   1.59681025   0.65268699
 C   0.82492457   0.55499233   0.74459203
 O   1.94407339   0.68802764   1.32090542
Al   2.80819701   2.01072627   2.36839140
Cl   2.65364333   3.86047801   1.28931623
Cl   1.66484298   1.95536249   4.17880731
Cl   4.78978124   1.16986984   2.39771950
 H  -0.44453674  -3.04155591  -1.05374589
 H  -2.66508611  -3.33188033  -2.12171166
 H  -4.28442663  -1.43790855  -2.20467596
 H  -3.66745270   0.76016006  -1.20142842
 H   0.72429482  -1.54618959   0.91189586
 H   4.31576986  -0.09881836   0.07858146
 H  -2.07781856   2.16946003  -0.02468668
 H   0.09143831   2.57166486   1.08566725
Cl   4.05770117  -0.67261747  -1.06826996
 H   1.37323808  -0.95501245  -0.59725079
 25
 Energy -2543.939548876 Gradient 0.00048144
 C  -1.15372015  -2.20343489  -1.09124956
 C  -2.40349938  -2.36674844  -1.69146073
 C  -3.31638551  -1.30465026  -1.73703966
 C  -2.97471894  -0.08023315  -1.17854741
 C  -1.71613466   0.09732571  -0.56699652
 C  -0.79557616  -0.97849638  -0.52556843
 C   0.54264319  -0.78186646   0.12168079
 C  -1.35217431   1.35870602   0.02553411
 C  -0.15888735   1.59682185   0.65068784
 C   0.81294405   0.55458983   0.74545414
 O   1.92808895   0.68540325   1.32961309
Al   2.80595951   2.00675958   2.36427848
Cl   2.64766891   3.85542215   1.28455267
Cl   1.68850200   1.95987424   4.19028425
Cl   4.78635969   1.15690815   2.36776539
 H  -0.44907605  -3.03973515  -1.06217400
 H  -2.66998912  -3.33228314  -2.12874713
 H  -4.29198524  -1.44046278  -2.20917603
 H  -3.67705547   0.75786081  -1.20515123
 H   0.72382593  -1.54936707   0.89768644
 H   4.33886760  -0.07634267   0.11811091
 H  -2.08847999   2.16863883  -0.02928988
 H   0.07842646   2.57102267   1.08605074
Cl   4.08174025  -0.65582249  -1.02841259
 H   1.36641113  -0.94179712  -0.60721718
 25
 Energy -2543.939911358 Gradient 0.00047202
 C  -1.15935235  -2.20268571  -1.09858587
 C  -2.40912612  -2.36710834  -1.69854640
 C  -3.32328851  -1.30607972  -1.74329750
 C  -2.98278446  -0.08149645  -1.18444994
 C  -1.72422627   0.09718754  -0.57315856
 C  -0.80244455  -0.97768227  -0.53228702
 C   0.53551315  -0.77981188   0.11524356
 C  -1.36191573   1.35856946   0.02037698
 C  -0.17007100   1.59677391   0.64828101
 C   0.80093778   0.55413234   0.74639851
 O   1.91177109   0.68260128   1.33870610
Al   2.80369637   2.00261096   2.35981320
Cl   2.64148188   3.85011670   1.27950482
Cl   1.71382297   1.96357025   4.20181677
Cl   4.78319246   1.14523693   2.33848556
 H  -0.45388378  -3.03829154  -1.06995232
 H  -2.67468547  -3.33276096  -2.13613097
 H  -4.29893791  -1.44281136  -2.21507552
 H  -3.68610443   0.75580383  -1.21044547
 H   0.72231754  -1.55221483   0.88478827
 H   4.35893666  -0.05312047   0.15778609
 H  -2.09872367   2.16800836  -0.03501193
 H   0.06553407   2.57038969   1.08581964
Cl   4.10394359  -0.63878129  -0.98789245
 H   1.35907482  -0.92985367  -0.61611877
 25
 Energy -2543.94022657 Gradient 0.00043781
 C  -1.16514747  -2.20210599  -1.10595911
 C  -2.41461948  -2.36752380  -1.70632665
 C  -3.32986508  -1.30741907  -1.75095713
 C  -2.99062565  -0.08264176  -1.19180313
 C  -1.73239186   0.09705499  -0.58008292
 C  -0.80958373  -0.97699387  -0.53902954
 C   0.52773706  -0.77803191   0.10961001
 C  -1.37173953   1.35842678   0.01438739
 C  -0.18156964   1.59666623   0.64552742
 C   0.78848780   0.55355439   0.74763418
 O   1.89501625   0.67980341   1.34830311
Al   2.80144861   1.99842543   2.35532801
Cl   2.63415064   3.84439733   1.27391817
Cl   1.74188416   1.96699998   4.21420097
Cl   4.78047514   1.13517329   2.31056794
 H  -0.45897669  -3.03711819  -1.07719881
 H  -2.67912247  -3.33335509  -2.14416122
 H  -4.30530226  -1.44504430  -2.22290042
 H  -3.69472607   0.75399097  -1.21770700
 H   0.71930659  -1.55496744   0.87322953
 H   4.37592253  -0.02924051   0.19761441
 H  -2.10881731   2.16753385  -0.04210723
 H   0.05229784   2.56986543   1.08488066
Cl   4.12484240  -0.62243979  -0.94765127
 H   1.35193261  -0.91875966  -0.62329451
 25
 Energy -2543.940489004 Gradient 0.00037922
 C  -1.17109192  -2.20153918  -1.11349286
 C  -2.41981358  -2.36777516  -1.71526569
 C  -3.33585264  -1.30838273  -1.76074552
 C  -2.99802503  -0.08337344  -1.20123555
 C  -1.74054916   0.09716177  -0.58810501
 C  -0.81699450  -0.97628742  -0.54590099
 C   0.51943282  -0.77625735   0.10451466
 C  -1.38164551   1.35853284   0.00738265
 C  -0.19356582   1.59662415   0.64267872
 C   0.77531176   0.55289560   0.74962134
 O   1.87712026   0.67689433   1.35924994
Al   2.79899175   1.99426459   2.35127353
Cl   2.62479237   3.83764690   1.26703628
Cl   1.77404814   1.97041362   4.22852848
Cl   4.77830594   1.12767091   2.28535328
 H  -0.46448240  -3.03614199  -1.08393598
 H  -2.68315579  -3.33378743  -2.15339787
 H  -4.31073646  -1.44670754  -2.23363709
 H  -3.70269677   0.75277226  -1.22782930
 H   0.71584513  -1.55785715   0.86187836
 H   4.39343318  -0.00755816   0.23473580
 H  -2.11872259   2.16751980  -0.05092764
 H   0.03845209   2.56937642   1.08394552
Cl   4.14410324  -0.60806260  -0.90916052
 H   1.34397787  -0.90720637  -0.62998732
 25
 Energy -2543.940676057 Gradient 0.00029143
 C  -1.17662353  -2.20072311  -1.12117914
 C  -2.42381846  -2.36724899  -1.72612434
 C  -3.34002984  -1.30810101  -1.77404608
 C  -3.00376359  -0.08293036  -1.21396115
 C  -1.74784754   0.09789454  -0.59762162
 C  -0.82413701  -0.97538848  -0.55267809
 C   0.51058387  -0.77479033   0.10142642
 C  -1.39082815   1.35908062  -0.00075784
 C  -0.20567059   1.59654314   0.64044888
 C   0.76155229   0.55190134   0.75368806
 O   1.85802348   0.67328574   1.37366805
Al   2.79609404   1.99048470   2.34893022
Cl   2.61132009   3.82874186   1.25810594
Cl   1.81139799   1.97457044   4.24652922
Cl   4.77712802   1.12487002   2.26340636
 H  -0.47005848  -3.03529072  -1.08960989
 H  -2.68583992  -3.33342097  -2.16470009
 H  -4.31372689  -1.44674755  -2.24927308
 H  -3.70850644   0.75308516  -1.24241198
 H   0.71032603  -1.56084504   0.85311609
 H   4.40783173   0.00999786   0.26650675
 H  -2.12732642   2.16837118  -0.06207671
 H   0.02415484   2.56894557   1.08355120
Cl   4.16017483  -0.59831130  -0.87583724
 H   1.33667693  -0.89685733  -0.63326583
 25
 Energy -2543.940798213 Gradient 0.00019853
 C  -1.18012969  -2.19968492  -1.12806538
 C  -2.42419408  -2.36508451  -1.73981398
 C  -3.33916151  -1.30508842  -1.79303786
 C  -3.00468081  -0.08010643  -1.23149165
 C  -1.75191930   0.09956686  -0.60827258
 C  -0.82943974  -0.97458612  -0.55781636
 C   0.50216351  -0.77470055   0.10324182
 C  -1.39700095   1.36014459  -0.00905656
 C  -0.21611779   1.59582725   0.64090028
 C   0.74860320   0.54971400   0.76204868
 O   1.83928281   0.66817129   1.39314627
Al   2.79288149   1.98773523   2.34957334
Cl   2.59106266   3.81833904   1.24869650
Cl   1.85253303   1.98116538   4.26859687
Cl   4.77688506   1.12819435   2.24401645
 H  -0.47461119  -3.03494123  -1.09231115
 H  -2.68474921  -3.33113619  -2.17952093
 H  -4.31040150  -1.44293418  -2.27350405
 H  -3.70839950   0.75663380  -1.26396789
 H   0.70201136  -1.56475197   0.85049147
 H   4.41427671   0.02073288   0.28613650
 H  -2.13186661   2.17054694  -0.07523240
 H   0.01152815   2.56780633   1.08592186
Cl   4.16890747  -0.59743257  -0.85275363
 H   1.33097009  -0.88990882  -0.62977161
 25
 Energy -2543.940881649 Gradient 0.00012506
 C  -1.17921672  -2.19876388  -1.13297050
 C  -2.41792630  -2.36131143  -1.75630308
 C  -3.32997390  -1.29925222  -1.81821193
 C  -2.99793836  -0.07506383  -1.25354205
 C  -1.75058360   0.10171164  -0.61865954
 C  -0.83085038  -0.97440267  -0.55961034
 C   0.49558178  -0.77694896   0.11277977
 C  -1.39856393   1.36112882  -0.01558917
 C  -0.22344632   1.59400933   0.64585815
 C   0.73823950   0.54614350   0.77581047
 O   1.82350097   0.66239592   1.41720461
Al   2.79035817   1.98703964   2.35320968
Cl   2.56624747   3.80925516   1.24212035
Cl   1.89161349   1.99072298   4.29135652
Cl   4.77727259   1.13561910   2.22487660
 H  -0.47605265  -3.03570079  -1.09078957
 H  -2.67651417  -3.32680476  -2.19840112
 H  -4.29695644  -1.43492821  -2.30779422
 H  -3.69937691   0.76330668  -1.29250136
 H   0.69018730  -1.56955652   0.85865696
 H   4.41262813   0.02130819   0.29211227
 H  -2.13096189   2.17320883  -0.08829672
 H   0.00187199   2.56547927   1.09298860
Cl   4.16421340  -0.60643847  -0.84169140
 H   1.32978178  -0.88947897  -0.61477821
 25
 Energy -2543.940946755 Gradient 0.00008866
 C  -1.17366223  -2.19879358  -1.13491891
 C  -2.40520775  -2.35817013  -1.77308312
 C  -3.31370586  -1.29373939  -1.84616025
 C  -2.98532032  -0.07037399  -1.27765453
 C  -1.74510799   0.10326037  -0.62803364
 C  -0.82883723  -0.97516027  -0.55784000
 C   0.49057632  -0.78056019   0.12900536
 C  -1.39680878   1.36181491  -0.02127317
 C  -0.22814572   1.59237510   0.65239665
 C   0.73027245   0.54286150   0.79229492
 O   1.81072209   0.65814471   1.44243108
Al   2.78859912   1.98870543   2.35832346
Cl   2.54323771   3.80413159   1.23987949
Cl   1.92572430   2.00107287   4.31215733
Cl   4.77704725   1.14364665   2.20346583
 H  -0.47320149  -3.03755521  -1.08444277
 H  -2.66092471  -3.32300913  -2.21827037
 H  -4.27503039  -1.42696395  -2.34742162
 H  -3.68400645   0.76985726  -1.32514118
 H   0.67523873  -1.57302489   0.87757884
 H   4.39973085   0.01834935   0.28907444
 H  -2.12643456   2.17563033  -0.10201777
 H  -0.00508484   2.56385178   1.10052112
Cl   4.14644072  -0.62130851  -0.83747418
 H   1.33236027  -0.89593661  -0.58959450
 25
 Energy -2543.940996444 Gradient 0.00007556
 C  -1.16623915  -2.20049204  -1.13400653
 C  -2.38970218  -2.35769926  -1.78800244
 C  -3.29456420  -1.29113312  -1.87442343
 C  -2.97063928  -0.06782516  -1.30333313
 C  -1.73841313   0.10377288  -0.63810731
 C  -0.82574765  -0.97676438  -0.55448675
 C   0.48556784  -0.78410158   0.14799358
 C  -1.39436789   1.36258286  -0.02967903
 C  -0.23226378   1.59239261   0.65558832
 C   0.72307939   0.54176176   0.80686858
 O   1.79952204   0.65800806   1.46390605
Al   2.78733367   1.99166947   2.36343327
Cl   2.52386787   3.80417897   1.24371082
Cl   1.95767182   2.00874736   4.33111911
Cl   4.77600331   1.15165238   2.18113807
 H  -0.46845802  -3.04081730  -1.07348304
 H  -2.64187414  -3.32245602  -2.23538974
 H  -4.24952379  -1.42269210  -2.38813585
 H  -3.66651353   0.77408849  -1.36115579
 H   0.65693331  -1.57319579   0.90337263
 H   4.38183761   0.01213590   0.28465591
 H  -2.12133337   2.17777224  -0.12004644
 H  -0.01143531   2.56478282   1.10272257
Cl   4.12197643  -0.63865070  -0.83446509
 H   1.33630051  -0.90745907  -0.55887506
 25
 Energy -2543.941043337 Gradient 0.00006257
 C  -1.15895990  -2.20359582  -1.12984694
 C  -2.37418995  -2.35993293  -1.79916916
 C  -3.27504776  -1.29131526  -1.90119608
 C  -2.95535434  -0.06682307  -1.33032146
 C  -1.73124639   0.10405271  -0.65004366
 C  -0.82259030  -0.97854097  -0.55064219
 C   0.48053789  -0.78638510   0.16682675
 C  -1.39109122   1.36445125  -0.04289330
 C  -0.23568209   1.59480631   0.65351408
 C   0.71593668   0.54304494   0.81894615
 O   1.78777211   0.66111419   1.48344918
Al   2.78640453   1.99558820   2.36870286
Cl   2.50680067   3.80846271   1.25299454
Cl   1.98894699   2.01226326   4.34927072
Cl   4.77414375   1.15849879   2.15778476
 H  -0.46414078  -3.04543219  -1.05745459
 H  -2.62299681  -3.32557033  -2.24654466
 H  -4.22354261  -1.42223651  -2.42690977
 H  -3.64812653   0.77673041  -1.40028530
 H   0.63901952  -1.57087515   0.92984880
 H   4.36314602   0.00378219   0.28042446
 H  -2.11503102   2.18097338  -0.14479487
 H  -0.01683637   2.56900882   1.09760774
Cl   4.09562387  -0.65639550  -0.83183301
 H   1.33965701  -0.91837742  -0.52853805
 25
 Energy -2543.941082193 Gradient 0.00005626
 C  -1.15385092  -2.20769203  -1.12132403
 C  -2.36122568  -2.36392519  -1.80467790
 C  -3.25671875  -1.29267429  -1.92493134
 C  -2.93957409  -0.06563228  -1.35814586
 C  -1.72321516   0.10528692  -0.66404727
 C  -0.81994086  -0.97998279  -0.54626356
 C   0.47562735  -0.78746577   0.18439178
 C  -1.38521557   1.36854840  -0.06173638
 C  -0.23657053   1.59974630   0.64561414
 C   0.70941592   0.54590080   0.82860686
 O   1.77562191   0.66537995   1.50221363
Al   2.78509582   1.99967697   2.37453883
Cl   2.49124316   3.81466788   1.26566989
Cl   2.01935829   2.01243738   4.36718040
Cl   4.77102064   1.16466598   2.13342650
 H  -0.46307581  -3.05153083  -1.03493038
 H  -2.60805157  -3.33152520  -2.24890255
 H  -4.19905187  -1.42357392  -2.46162573
 H  -3.62822807   0.77998774  -1.44232820
 H   0.62342661  -1.56722024   0.95435281
 H   4.34314127  -0.00236466   0.27444837
 H  -2.10486773   2.18702873  -0.17746611
 H  -0.01858742   2.57642786   1.08461079
Cl   4.07008073  -0.67462992  -0.82972753
 H   1.34178841  -0.92700478  -0.50107388
 25
 Energy -2543.941122992 Gradient 0.00004901
 C  -1.15128802  -2.21314616  -1.10859447
 C  -2.35114889  -2.36991347  -1.80487154
 C  -3.23977534  -1.29543716  -1.94597731
 C  -2.92339294  -0.06471477  -1.38686943
 C  -1.71453218   0.10684650  -0.67993944
 C  -0.81806034  -0.98160776  -0.54131526
 C   0.47036746  -0.78785852   0.20119604
 C  -1.37730344   1.37401256  -0.08563284
 C  -0.23547080   1.60658577   0.63230426
 C   0.70365963   0.55030752   0.83519779
 O   1.76389251   0.67151629   1.51813229
Al   2.78363323   2.00392906   2.38013677
Cl   2.47674939   3.82322249   1.28140884
Cl   2.04833545   2.01014545   4.38389497
Cl   4.76746542   1.17073725   2.10960832
 H  -0.46567653  -3.05939498  -1.00617004
 H  -2.59745756  -3.34042190  -2.24299910
 H  -4.17618984  -1.42677199  -2.49281636
 H  -3.60676632   0.78342803  -1.48721315
 H   0.60821259  -1.56167200   0.97899663
 H   4.32471828  -0.01064656   0.26946152
 H  -2.09168320   2.19472400  -0.21717960
 H  -0.01714129   2.58640716   1.06407613
Cl   4.04601542  -0.69375858  -0.82708557
 H   1.34278884  -0.93619931  -0.47478772
 25
 Energy -2543.941153498 Gradient 0.00004170
 C  -1.15102426  -2.21970568  -1.09244870
 C  -2.34390017  -2.37761866  -1.80032215
 C  -3.22454893  -1.29972866  -1.96385340
 C  -2.90726004  -0.06446507  -1.41542802
 C  -1.70534174   0.10837491  -0.69699927
 C  -0.81688667  -0.98355115  -0.53580103
 C   0.46485239  -0.78821078   0.21752429
 C  -1.36704709   1.38031750  -0.11373009
 C  -0.23170819   1.61465924   0.61399855
 C   0.69874632   0.55534568   0.83940806
 O   1.75231538   0.67812479   1.53262886
Al   2.78188012   2.00801098   2.38552150
Cl   2.46278227   3.83311904   1.29939511
Cl   2.07558014   2.00484703   4.39931639
Cl   4.76347661   1.17826410   2.08587850
 H  -0.47152831  -3.06859171  -0.97262763
 H  -2.59099436  -3.35169410  -2.23001128
 H  -4.15550311  -1.43200960  -2.51971606
 H  -3.58447006   0.78636893  -1.53326292
 H   0.59254066  -1.55503742   1.00386164
 H   4.30764146  -0.01816939   0.26483727
 H  -2.07500516   2.20362868  -0.26266340
 H  -0.01192946   2.59810322   1.03671984
Cl   4.02430011  -0.71179269  -0.82433517
 H   1.34288597  -0.94636655  -0.44931786
 25
 Energy -2543.941182175 Gradient 0.00003991
 C  -1.15349171  -2.22675908  -1.07379136
 C  -2.33990457  -2.38595061  -1.79213321
 C  -3.21103023  -1.30422042  -1.97974527
 C  -2.89080885  -0.06385307  -1.44471639
 C  -1.69537310   0.11033357  -0.71587515
 C  -0.81641814  -0.98545141  -0.53049713
 C   0.45917662  -0.78845505   0.23259160
 C  -1.35424984   1.38754161  -0.14598322
 C  -0.22524362   1.62366228   0.59102451
 C   0.69515367   0.56101879   0.84045250
 O   1.74203900   0.68549710   1.54362727
Al   2.77989215   2.01176439   2.39092373
Cl   2.44968998   3.84466934   1.32082790
Cl   2.09922042   1.99558250   4.41326178
Cl   4.75956049   1.18634825   2.06409566
 H  -0.48134006  -3.07863887  -0.93525276
 H  -2.58942369  -3.36405274  -2.21114714
 H  -4.13693052  -1.43755754  -2.54374209
 H  -3.56065606   0.79000291  -1.58129108
 H   0.57629299  -1.54723092   1.02818814
 H   4.29268386  -0.02491536   0.26058997
 H  -2.05465419   2.21373835  -0.31353584
 H  -0.00275902   2.61094541   1.00331018
Cl   4.00517169  -0.72893334  -0.82113915
 H   1.34203608  -0.95778952  -0.42546085
 25
 Energy -2543.941208468 Gradient 0.00003439
 C  -1.15800842  -2.23323711  -1.05376643
 C  -2.33808185  -2.39372612  -1.78215324
 C  -3.19846479  -1.30805324  -1.99495024
 C  -2.87399352  -0.06247581  -1.47481772
 C  -1.68493772   0.11307630  -0.73591775
 C  -0.81670768  -0.98668484  -0.52529958
 C   0.45279816  -0.78813501   0.24726941
 C  -1.33970185   1.39565322  -0.18079139
 C  -0.21696723   1.63354502   0.56524824
 C   0.69225065   0.56746442   0.83965102
 O   1.73237345   0.69361887   1.55264984
Al   2.77783083   2.01537986   2.39631514
Cl   2.43935846   3.85748965   1.34430945
Cl   2.11941986   1.98327992   4.42551492
Cl   4.75527158   1.19387445   2.04368258
 H  -0.49415480  -3.08819945  -0.89562232
 H  -2.59106698  -3.37594008  -2.18930316
 H  -4.11940176  -1.44243827  -2.56677008
 H  -3.53555100   0.79447988  -1.63099875
 H   0.55852967  -1.53774410   1.05301743
 H   4.27891318  -0.03265595   0.25778080
 H  -2.03161389   2.22482527  -0.36782677
 H   0.00917068   2.62471970   0.96617909
Cl   3.98745432  -0.74653405  -0.81674784
 H   1.34038467  -0.97044605  -0.40122924
 25
 Energy -2543.941234436 Gradient 0.00003116
 C  -1.16335443  -2.23977415  -1.03265932
 C  -2.33723131  -2.40176922  -1.77065382
 C  -3.18671560  -1.31265095  -2.00832018
 C  -2.85763925  -0.06208917  -1.50328662
 C  -1.67478587   0.11502509  -0.75482167
 C  -0.81749121  -0.98822163  -0.51914288
 C   0.44611680  -0.78785770   0.26247242
 C  -1.32483042   1.40282454  -0.21510951
 C  -0.20812570   1.64286632   0.53931271
 C   0.68963279   0.57389123   0.83879823
 O   1.72335460   0.70202547   1.56087550
Al   2.77606922   2.01964950   2.40108826
Cl   2.42767552   3.86997201   1.36647984
Cl   2.14006445   1.97172217   4.43686558
Cl   4.75111298   1.20270310   2.02252529
 H  -0.50794135  -3.09745290  -0.85522432
 H  -2.59391916  -3.38790429  -2.16583335
 H  -4.10282099  -1.44830468  -2.58755621
 H  -3.51068722   0.79763006  -1.67887708
 H   0.54041290  -1.52779282   1.07844656
 H   4.26599863  -0.03977570   0.25458107
 H  -2.00785722   2.23470489  -0.42179227
 H   0.02181415   2.63824612   0.92751006
Cl   3.97107378  -0.76476753  -0.81180708
 H   1.33795690  -0.98358334  -0.37651056
 25
 Energy -2543.941253517 Gradient 0.00003038
 C  -1.16853086  -2.24638399  -1.01164920
 C  -2.33676072  -2.41028441  -1.75810958
 C  -3.17539589  -1.31828365  -2.01989451
 C  -2.84133547  -0.06296927  -1.53017060
 C  -1.66421278   0.11611443  -0.77317649
 C  -0.81764935  -0.99003819  -0.51345948
 C   0.44076888  -0.78752515   0.27578563
 C  -1.30979940   1.40872553  -0.24808912
 C  -0.19899508   1.65092735   0.51435353
 C   0.68780517   0.57966031   0.83727047
 O   1.71510341   0.71004392   1.56824490
Al   2.77378520   2.02443924   2.40497127
Cl   2.41347082   3.88332968   1.38938489
Cl   2.16030381   1.95968721   4.44702429
Cl   4.74709268   1.21493130   2.00015148
 H  -0.52151009  -3.10633971  -0.81542637
 H  -2.59754306  -3.40018573  -2.14100360
 H  -4.08705763  -1.45544963  -2.60574599
 H  -3.48605781   0.79901077  -1.72444138
 H   0.52569438  -1.51862589   1.10062144
 H   4.25361090  -0.04675735   0.25157779
 H  -1.98454959   2.24264728  -0.47295411
 H   0.03451999   2.64932074   0.89264197
Cl   3.95645671  -0.78440946  -0.80571130
 H   1.33608899  -0.99459063  -0.35504999
 25
 Energy -2543.941268107 Gradient 0.00002645
 C  -1.17327025  -2.25272983  -0.99205656
 C  -2.33609839  -2.41873052  -1.74643509
 C  -3.16435505  -1.32450676  -2.03103591
 C  -2.82553395  -0.06487959  -1.55588220
 C  -1.65392599   0.11635208  -0.79088372
 C  -0.81761361  -0.99203430  -0.50841926
 C   0.43587012  -0.78716029   0.28795075
 C  -1.29522173   1.41337225  -0.27983189
 C  -0.19014629   1.65795319   0.49014423
 C   0.68625453   0.58507746   0.83525601
 O   1.70760906   0.71808156   1.57423429
Al   2.77093433   2.03019139   2.40808147
Cl   2.39671583   3.89675438   1.41141113
Cl   2.18036691   1.94655797   4.45602674
Cl   4.74329170   1.23039732   1.97820388
 H  -0.53427386  -3.11445837  -0.77812899
 H  -2.60078604  -3.41204522  -2.11763482
 H  -4.07177661  -1.46335529  -2.62304527
 H  -3.46227549   0.79886973  -1.76784055
 H   0.51206235  -1.50970367   1.12104330
 H   4.24319177  -0.05350531   0.25039336
 H  -1.96190461   2.24890504  -0.52214596
 H   0.04670932   2.65939512   0.85822456
Cl   3.94447230  -0.80523429  -0.79667022
 H   1.33432972  -1.00486343  -0.33507399
 25
 Energy -2543.941287001 Gradient 0.00002068
 C  -1.17728564  -2.25786910  -0.97462489
 C  -2.33511928  -2.42618832  -1.73612062
 C  -3.15415767  -1.33053042  -2.04118101
 C  -2.81123778  -0.06712891  -1.57919727
 C  -1.64468096   0.11649118  -0.80706634
 C  -0.81756555  -0.99338063  -0.50406139
 C   0.43112775  -0.78606782   0.29905765
 C  -1.28212114   1.41744836  -0.30896661
 C  -0.18217578   1.66467222   0.46755172
 C   0.68461392   0.59077483   0.83300270
 O   1.70038221   0.72646969   1.57930069
Al   2.76809883   2.03551098   2.41114447
Cl   2.38111090   3.91117284   1.43622000
Cl   2.20093203   1.93284566   4.46462983
Cl   4.73858382   1.24525966   1.95342645
 H  -0.54542869  -3.12075464  -0.74475631
 H  -2.60313508  -3.42246713  -2.09684022
 H  -4.05766837  -1.47123491  -2.63870574
 H  -3.44085638   0.79778442  -1.80708325
 H   0.49856231  -1.50029861   1.13998858
 H   4.23284128  -0.06055921   0.24854527
 H  -1.94153332   2.25402155  -0.56708690
 H   0.05763203   2.66884726   0.82628333
Cl   3.93331662  -0.82669112  -0.78805865
 H   1.33270669  -1.01400150  -0.31604628
 25
 Energy -2543.941302245 Gradient 0.00002168
 C  -1.18229464  -2.26068211  -0.95884666
 C  -2.33538069  -2.43063049  -1.72713315
 C  -3.14505319  -1.33346935  -2.05126645
 C  -2.79764323  -0.06691982  -1.60141110
 C  -1.63587974   0.11839498  -0.82247714
 C  -0.81814503  -0.99303636  -0.50030763
 C   0.42603512  -0.78401620   0.30920373
 C  -1.26903071   1.42264480  -0.33629083
 C  -0.17392738   1.67181864   0.44646512
 C   0.68309011   0.59675187   0.83093686
 O   1.69344718   0.73439827   1.58428879
Al   2.76632592   2.03961789   2.41475385
Cl   2.36610041   3.92458167   1.46325994
Cl   2.22238665   1.91514915   4.47313540
Cl   4.73434303   1.25974547   1.92759272
 H  -0.55769317  -3.12475048  -0.71408680
 H  -2.60704845  -3.42936993  -2.07818916
 H  -4.04487150  -1.47548808  -2.65403031
 H  -3.42001249   0.79918986  -1.84418412
 H   0.48512806  -1.49059560   1.15713111
 H   4.22180186  -0.06792642   0.24493071
 H  -1.92105955   2.26032920  -0.60915796
 H   0.06899172   2.67824864   0.79678471
Cl   3.92115328  -0.84792412  -0.78115422
 H   1.33027434  -1.02168625  -0.29853769
 25
 Energy -2543.941312552 Gradient 0.00001829
 C  -1.18845752  -2.26266706  -0.94381013
 C  -2.33686985  -2.43370094  -1.71881839
 C  -3.13656472  -1.33492792  -2.06173811
 C  -2.78402497  -0.06566094  -1.62370522
 C  -1.62700383   0.12079024  -0.83800922
 C  -0.81916973  -0.99229716  -0.49707108
 C   0.42080202  -0.78209040   0.31846610
 C  -1.25533598   1.42787511  -0.36328986
 C  -0.16503448   1.67849683   0.42572571
 C   0.68195067   0.60221517   0.82849615
 O   1.68716198   0.74143963   1.58854606
Al   2.76447101   2.04316246   2.41794573
Cl   2.34896565   3.93700703   1.49045786
Cl   2.24443851   1.89648751   4.48089174
Cl   4.73041958   1.27559835   1.90257365
 H  -0.57157757  -3.12802118  -0.68445701
 H  -2.61270393  -3.43457783  -2.06041209
 H  -4.03271138  -1.47783625  -2.66974035
 H  -3.39869768   0.80173843  -1.88104959
 H   0.47188123  -1.48128382   1.17294375
 H   4.21257584  -0.07525468   0.24218853
 H  -1.89962818   2.26675215  -0.65050937
 H   0.08142635   2.68689354   0.76792951
Cl   3.91060154  -0.86942802  -0.77268042
 H   1.32731656  -1.02922972  -0.28231793
 25
 Energy -2543.941322713 Gradient 0.00001423
 C  -1.19438766  -2.26404822  -0.93049874
 C  -2.33823633  -2.43565391  -1.71209284
 C  -3.12802447  -1.33529090  -2.07245021
 C  -2.77028576  -0.06383913  -1.64509491
 C  -1.61790727   0.12322136  -0.85275017
 C  -0.81994118  -0.99150744  -0.49433187
 C   0.41572656  -0.78086095   0.32755839
 C  -1.24125242   1.43260415  -0.38841383
 C  -0.15562126   1.68402561   0.40676660
 C   0.68136318   0.60650677   0.82667694
 O   1.68159243   0.74697156   1.59320782
Al   2.76214678   2.04679506   2.42109617
Cl   2.33115211   3.94866697   1.51714453
Cl   2.26545364   1.87817402   4.48802141
Cl   4.72594662   1.29317341   1.87652437
 H  -0.58519047  -3.13066679  -0.65757124
 H  -2.61827266  -3.43823558  -2.04516134
 H  -4.02060451  -1.47868856  -2.68556254
 H  -3.37727882   0.80483258  -1.91601661
 H   0.45796266  -1.47292539   1.18825262
 H   4.20376490  -0.08252011   0.24015183
 H  -1.87773391   2.27273919  -0.68906705
 H   0.09454396   2.69402969   0.74155909
Cl   3.90140857  -0.89160866  -0.76285690
 H   1.32450075  -1.03776844  -0.26584740
 25
 Energy -2543.941325724 Gradient 0.00001113
 C  -1.20337558  -2.26348988  -0.91627395
 C  -2.34247812  -2.43486415  -1.70481484
 C  -3.12103705  -1.33252079  -2.08314873
 C  -2.75692156  -0.05926037  -1.66671668
 C  -1.60928720   0.12760998  -0.86746905
 C  -0.82259405  -0.98917060  -0.49092683
 C   0.40878959  -0.77874244   0.33738969
 C  -1.22630855   1.43896627  -0.41407875
 C  -0.14534497   1.69070670   0.38736672
 C   0.67984341   0.61142671   0.82542641
 O   1.67471080   0.75244232   1.59899023
Al   2.76115853   2.04882062   2.42380025
Cl   2.31581988   3.95829157   1.54259061
Cl   2.29040591   1.86228694   4.49512511
Cl   4.72132054   1.30555889   1.85129895
 H  -0.60291949  -3.13168450  -0.62934686
 H  -2.62763228  -3.43884661  -2.02921378
 H  -4.00992574  -1.47580868  -2.70162219
 H  -3.35515067   0.81100789  -1.95165965
 H   0.44206280  -1.46372665   1.20405046
 H   4.19381309  -0.09218630   0.23832402
 H  -1.85393390   2.28062381  -0.72880178
 H   0.10949306   2.70211559   0.71439057
Cl   3.88968594  -0.91441642  -0.75354716
 H   1.31958972  -1.04553258  -0.24877820
 25
 Energy -2543.941335759 Gradient 0.00001049
 C  -1.21239748  -2.26046172  -0.90450607
 C  -2.34811695  -2.43173819  -1.69791883
 C  -3.11720138  -1.32787747  -2.09088169
 C  -2.74721924  -0.05318319  -1.68405478
 C  -1.60303148   0.13362529  -0.87986321
 C  -0.82576360  -0.98475970  -0.48874780
 C   0.40252662  -0.77467479   0.34401579
 C  -1.21418964   1.44645018  -0.43577302
 C  -0.13666320   1.69829173   0.37031440
 C   0.67902187   0.61763280   0.82271046
 O   1.67002265   0.75878509   1.60116486
Al   2.76164760   2.04993991   2.42653427
Cl   2.30408866   3.96786655   1.57010405
Cl   2.31263972   1.84013036   4.50024096
Cl   4.71788289   1.31765629   1.82616118
 H  -0.61918834  -3.12978335  -0.60622251
 H  -2.63799968  -3.43681490  -2.01466037
 H  -4.00344903  -1.47109082  -2.71315466
 H  -3.33822331   0.81820043  -1.98041552
 H   0.42854586  -1.45364369   1.21560905
 H   4.18492020  -0.10153431   0.23525029
 H  -1.83432120   2.28935936  -0.76184122
 H   0.12246349   2.71074689   0.69079936
Cl   3.87895470  -0.93660244  -0.74537736
 H   1.31447726  -1.05032486  -0.23642544
 25
 Energy -2543.941337573 Gradient 0.00000992
 C  -1.21869157  -2.25633502  -0.90142408
 C  -2.35197081  -2.42619764  -1.69863757
 C  -3.11422003  -1.32069352  -2.10022571
 C  -2.73989252  -0.04579853  -1.69806130
 C  -1.59819690   0.13958408  -0.89002107
 C  -0.82771646  -0.98044524  -0.49029452
 C   0.39836620  -0.77195546   0.34616048
 C  -1.20546911   1.45268608  -0.45023012
 C  -0.13043184   1.70333139   0.35954770
 C   0.67852965   0.62115223   0.82022691
 O   1.66674400   0.76166292   1.60240400
Al   2.76091274   2.04926689   2.42951792
Cl   2.29012557   3.97504993   1.59814744
Cl   2.33234819   1.81557801   4.50506102
Cl   4.71507955   1.33129166   1.80497239
 H  -0.63091657  -3.12700108  -0.59632534
 H  -2.64535742  -3.43146431  -2.01152872
 H  -3.99854828  -1.46274253  -2.72548905
 H  -3.32559434   0.82691116  -2.00099902
 H   0.41908284  -1.44774621   1.22034431
 H   4.17930727  -0.10719904   0.23322143
 H  -1.82040899   2.29690363  -0.78269883
 H   0.13139753   2.71594375   0.67732138
Cl   3.87341718  -0.95254069  -0.73861777
 H   1.31116979  -1.05301677  -0.23044130
 25
 Energy -2543.941337723 Gradient 0.00000709
 C  -1.22121056  -2.25183679  -0.90313729
 C  -2.35162665  -2.42021926  -1.70470604
 C  -3.10899375  -1.31342826  -2.11197439
 C  -2.73262635  -0.03872391  -1.71113274
 C  -1.59375931   0.14519275  -0.89876113
 C  -0.82822728  -0.97613573  -0.49326575
 C   0.39501755  -0.76932572   0.34768917
 C  -1.19901927   1.45811361  -0.46032879
 C  -0.12649264   1.70755913   0.35317458
 C   0.67757786   0.62411487   0.81934369
 O   1.66343309   0.76357681   1.60477377
Al   2.75993385   2.04784455   2.43358408
Cl   2.27541178   3.98042849   1.62589372
Cl   2.35087224   1.79318003   4.51038114
Cl   4.71144273   1.34396917   1.78435286
 H  -0.63719808  -3.12347146  -0.59363126
 H  -2.64655893  -3.42535536  -2.01652288
 H  -3.99116747  -1.45433672  -2.74051985
 H  -3.31457906   0.83502924  -2.01829074
 H   0.40985806  -1.44277521   1.22379162
 H   4.17403335  -0.11081127   0.22990254
 H  -1.81033361   2.30324708  -0.79708868
 H   0.13682144   2.72004242   0.67025781
Cl   3.86824396  -0.96616995  -0.73321300
 H   1.30937782  -1.05489020  -0.22430918
