 36
 Energy -2315.61303682 Gradient 0.00001968
 C  -0.23358442  -2.56905552  -2.31148491
 C  -1.25446134  -2.41579659  -3.26074455
 C  -2.00703134  -1.23070784  -3.34505674
 C  -1.73201496  -0.19194337  -2.47789357
 C  -0.69060127  -0.32064330  -1.50955755
 C   0.05917931  -1.54051848  -1.42620311
 C   1.12097568  -1.69724909  -0.37241192
 C  -0.36387454   0.75975538  -0.67950424
 C   0.80507585   0.80013032   0.18918595
 C   1.68176548  -0.41163727   0.16120501
 O   2.84527603  -0.38993256   0.58378840
Al   3.99277907   1.05671424   1.35476773
Cl   3.53033699   2.63731628  -0.05736824
Cl   2.99422516   1.29916940   3.22719054
Cl   5.91913647   0.22066756   1.26314127
 C  -2.38518035   0.04702567   1.66802982
 C  -1.48179850  -0.49318261   2.58923114
 C  -0.65252216   0.35591464   3.32625781
 C  -0.73676779   1.75050732   3.15412039
 C  -1.65842265   2.29272698   2.25374594
 C  -2.47876808   1.44205658   1.50577766
 H   0.33351718  -3.50299209  -2.27494215
 H  -1.46558869  -3.23692257  -3.95130155
 H  -2.79488565  -1.13526266  -4.09490278
 H  -2.29347631   0.74484318  -2.53116907
 H   0.66462995  -2.19381310   0.51409112
 H   1.94634445  -2.35244560  -0.69352795
 H  -0.94063820   1.68548423  -0.77252583
 H   0.52139230   1.02764156   1.25660042
 H   1.44716652   1.70516255  -0.03253624
 H  -3.05208666  -0.61081259   1.10405961
 H  -1.44135698  -1.57416755   2.74959329
 H   0.05850084  -0.05423357   4.04804289
 H  -0.08791877   2.40650171   3.73982468
 H  -1.74407950   3.37702506   2.14521491
 H  -3.22519638   1.86107537   0.82470927
 36
 Energy -2315.613041984 Gradient 0.00001745
 C  -0.23802646  -2.56544131  -2.31973133
 C  -1.26287071  -2.41023755  -3.26436686
 C  -2.01691546  -1.22558870  -3.34195927
 C  -1.73945794  -0.18922987  -2.47275144
 C  -0.69431171  -0.32004198  -1.50870011
 C   0.05701960  -1.53940662  -1.43223584
 C   1.12344335  -1.69814565  -0.38353902
 C  -0.36569560   0.75798336  -0.67629743
 C   0.80475803   0.79594938   0.19052191
 C   1.68410432  -0.41373130   0.15313771
 O   2.84923701  -0.39158288   0.57105799
Al   3.99537509   1.05065637   1.35341978
Cl   3.52067735   2.64860720  -0.03484898
Cl   3.00331072   1.26345373   3.23303838
Cl   5.92409881   0.22278606   1.24157288
 C  -2.39879713   0.08092942   1.66332930
 C  -1.50237063  -0.48549546   2.57584470
 C  -0.65766369   0.34054190   3.32121385
 C  -0.71933732   1.73836355   3.16616757
 C  -1.63409270   2.30679212   2.27470907
 C  -2.47017725   1.47921219   1.51871382
 H   0.33029854  -3.49883452  -2.28843832
 H  -1.47606733  -3.22933242  -3.95669115
 H  -2.80783941  -1.12869481  -4.08838380
 H  -2.30192832   0.74722786  -2.52084767
 H   0.67172890  -2.19888073   0.50304405
 H   1.94851857  -2.35091409  -0.71036361
 H  -0.94305310   1.68375137  -0.76506669
 H   0.52202225   1.01566861   1.26007223
 H   1.44386285   1.70425069  -0.02535975
 H  -3.07783759  -0.55890309   1.09316916
 H  -1.47941010  -1.56894420   2.72234097
 H   0.04816961  -0.08982824   4.03631794
 H  -0.05818719   2.37658647   3.75774314
 H  -1.70154845   3.39357539   2.17923017
 H  -3.21078590   1.91884445   0.84430782
 36
 Energy -2315.613014646 Gradient 0.00002418
 C  -0.23394097  -2.57309161  -2.32276593
 C  -1.26247030  -2.42174312  -3.26392374
 C  -2.02076828  -1.23964672  -3.33943925
 C  -1.74391164  -0.20211762  -2.47148924
 C  -0.69532871  -0.32913295  -1.51048472
 C   0.06059283  -1.54589384  -1.43645591
 C   1.13213411  -1.70064981  -0.39251182
 C  -0.36833706   0.74994617  -0.67900233
 C   0.80123530   0.79020839   0.18872284
 C   1.68694762  -0.41465165   0.14640572
 O   2.85250553  -0.38789708   0.56269956
Al   3.99489623   1.05147948   1.35487985
Cl   3.50318336   2.66581452  -0.00822250
Cl   3.01682772   1.22914240   3.24515794
Cl   5.92823211   0.23799500   1.21565339
 C  -2.41867152   0.11479988   1.66127594
 C  -1.52752752  -0.47460705   2.56459056
 C  -0.66439831   0.33051189   3.31154791
 C  -0.70169786   1.73038187   3.16691131
 C  -1.61116693   2.32186615   2.28470445
 C  -2.46630580   1.51514547   1.52792167
 H   0.33783635  -3.50443023  -2.29332671
 H  -1.47509484  -3.24183950  -3.95524277
 H  -2.81447230  -1.14557273  -4.08326297
 H  -2.30988800   0.73230870  -2.51791818
 H   0.68773500  -2.20757556   0.49424516
 H   1.96017379  -2.34692704  -0.72480423
 H  -0.94874122   1.67394401  -0.76647482
 H   0.51416867   1.00094050   1.25945469
 H   1.43512050   1.70368596  -0.01867167
 H  -3.11198449  -0.50872933   1.09020384
 H  -1.52305347  -1.55941481   2.70234448
 H   0.03719239  -0.11759457   4.01995831
 H  -0.02554525   2.35210134   3.75909965
 H  -1.65928357   3.41037690   2.19751228
 H  -3.20223310   1.97294622   0.86050195
 36
 Energy -2315.613000953 Gradient 0.00002790
 C  -0.22951989  -2.58416363  -2.32291000
 C  -1.26160487  -2.43775154  -3.26091304
 C  -2.02399092  -1.25819781  -3.33587785
 C  -1.74773106  -0.21838670  -2.47056041
 C  -0.69595210  -0.34052799  -1.51236956
 C   0.06433851  -1.55466007  -1.43897734
 C   1.14043440  -1.70415234  -0.39903424
 C  -0.37045473   0.74078118  -0.68330889
 C   0.79829519   0.78455851   0.18517952
 C   1.68984341  -0.41589769   0.14008218
 O   2.85565042  -0.38447503   0.55514350
Al   3.99446143   1.05185857   1.35706124
Cl   3.48562238   2.68365711   0.02136905
Cl   3.02916814   1.19434033   3.25672820
Cl   5.93179953   0.25286588   1.19077425
 C  -2.43719877   0.15465046   1.65379580
 C  -1.55392115  -0.45930709   2.54873694
 C  -0.67327003   0.32288134   3.29937482
 C  -0.68486287   1.72444204   3.16677303
 C  -1.58661665   2.34056446   2.29313451
 C  -2.45965838   1.55674192   1.53320845
 H   0.34558528  -3.51348227  -2.29399161
 H  -1.47376971  -3.25962854  -3.95025397
 H  -2.82036717  -1.16790623  -4.07732085
 H  -2.31684235   0.71414723  -2.51661326
 H   0.70235752  -2.21506386   0.48864157
 H   1.97094237  -2.34542080  -0.73497704
 H  -0.95355359   1.66303456  -0.77121834
 H   0.50732306   0.98852494   1.25665097
 H   1.42723368   1.70258138  -0.01523484
 H  -3.14409121  -0.45096683   1.08011305
 H  -1.56908716  -1.54523076   2.67645617
 H   0.02225639  -0.14415340   4.00153662
 H   0.00534370   2.32833670   3.76120093
 H  -1.61427606   3.43047797   2.21528523
 H  -3.18895069   2.03403160   0.87218432
 36
 Energy -2315.612975797 Gradient 0.00003383
 C  -0.22401826  -2.59610828  -2.32218847
 C  -1.25892444  -2.45462885  -3.25777353
 C  -2.02518728  -1.27758516  -3.33306211
 C  -1.74995654  -0.23532879  -2.47040579
 C  -0.69561504  -0.35254844  -1.51427918
 C   0.06870634  -1.56422219  -1.44067816
 C   1.14864842  -1.70817704  -0.40410400
 C  -0.37173724   0.73117775  -0.68789690
 C   0.79571009   0.77839834   0.18210950
 C   1.69348102  -0.41740545   0.13379638
 O   2.85976939  -0.38084759   0.54671445
Al   3.99417068   1.05339084   1.35949335
Cl   3.46868337   2.70135118   0.05080239
Cl   3.03952516   1.15879523   3.26691710
Cl   5.93520800   0.26868794   1.16835902
 C  -2.45671046   0.19544201   1.64627746
 C  -1.58285414  -0.44271718   2.53375791
 C  -0.68506263   0.31623687   3.28775322
 C  -0.66950805   1.71877108   3.16547473
 C  -1.56179203   2.35914760   2.29920334
 C  -2.45249032   1.59856451   1.53660978
 H   0.35422795  -3.52346188  -2.29323315
 H  -1.47024709  -3.27843438  -3.94507811
 H  -2.82367721  -1.19118301  -4.07267959
 H  -2.32215397   0.69530508  -2.51672263
 H   0.71624612  -2.22115036   0.48518887
 H   1.98119683  -2.34553841  -0.74248414
 H  -0.95695297   1.65195124  -0.77738744
 H   0.50008076   0.97387394   1.25443088
 H   1.41899140   1.70132612  -0.01027187
 H  -3.17704619  -0.39201242   1.07039315
 H  -1.61877878  -1.52913241   2.65260699
 H   0.00326712  -0.16943114   3.98441753
 H   0.03462156   2.30449048   3.76176603
 H  -1.56758487   3.44992094   2.22913600
 H  -3.17383282   2.09502345   0.88099834
 36
 Energy -2315.612942926 Gradient 0.00003776
 C  -0.21735435  -2.60765454  -2.32317545
 C  -1.25526541  -2.47122215  -3.25612856
 C  -2.02595788  -1.29700550  -3.33101031
 C  -1.75217949  -0.25259373  -2.47055637
 C  -0.69512695  -0.36479847  -1.51672550
 C   0.07386686  -1.57361866  -1.44364517
 C   1.15783475  -1.71220919  -0.41065438
 C  -0.37327298   0.72110567  -0.69255593
 C   0.79301845   0.77180900   0.17869818
 C   1.69710475  -0.41913202   0.12739113
 O   2.86359468  -0.37744306   0.53899016
Al   3.99329598   1.05428284   1.36243530
Cl   3.45050518   2.71800556   0.08121376
Cl   3.04938257   1.12313911   3.27687553
Cl   5.93837073   0.28567289   1.14767371
 C  -2.47592100   0.23880359   1.63787232
 C  -1.61333123  -0.42517812   2.51765234
 C  -0.69826485   0.30842506   3.27580217
 C  -0.65375114   1.71130323   3.16513781
 C  -1.53452421   2.37764734   2.30622862
 C  -2.44274416   1.64234787   1.53997223
 H   0.36446194  -3.53278826  -2.29467695
 H  -1.46544319  -3.29672831  -3.94175107
 H  -2.82670617  -1.21451811  -4.06863804
 H  -2.32783366   0.67591498  -2.51660029
 H   0.73150416  -2.22874723   0.47953772
 H   1.99291382  -2.34457683  -0.75226996
 H  -0.96125549   1.64008700  -0.78241961
 H   0.49310124   0.95955516   1.25172250
 H   1.41075367   1.69946382  -0.00602471
 H  -3.20988099  -0.32868167   1.05915534
 H  -1.67147604  -1.51162423   2.62684516
 H  -0.01873755  -0.19720074   3.96692423
 H   0.06417031   2.27718742   3.76414912
 H  -1.51712273   3.46880946   2.24491082
 H  -3.15466375   2.15921981   0.88985410
 36
 Energy -2315.612913772 Gradient 0.00004139
 C  -0.21103692  -2.61958298  -2.32383884
 C  -1.25203988  -2.48835877  -3.25405667
 C  -2.02710133  -1.31697272  -3.32876396
 C  -1.75456963  -0.27016668  -2.47089357
 C  -0.69470063  -0.37716593  -1.51948628
 C   0.07883376  -1.58318780  -1.44662946
 C   1.16662090  -1.71616377  -0.41702281
 C  -0.37474073   0.71108783  -0.69784205
 C   0.79047647   0.76549024   0.17445134
 C   1.70072147  -0.42068818   0.12049052
 O   2.86740389  -0.37391146   0.53072162
Al   3.99210094   1.05519644   1.36579536
Cl   3.43288105   2.73435195   0.11244173
Cl   3.05861244   1.08672291   3.28625704
Cl   5.94094392   0.30273630   1.12765729
 C  -2.49431131   0.28311234   1.63002767
 C  -1.64229983  -0.40625811   2.50082359
 C  -0.71003930   0.30159588   3.26231947
 C  -0.63701419   1.70416962   3.16340316
 C  -1.50725996   2.39600850   2.31348592
 C  -2.43344430   1.68653240   1.54484025
 H   0.37425652  -3.54252956  -2.29558689
 H  -1.46120411  -3.31572496  -3.93773974
 H  -2.83018285  -1.23856635  -4.06429026
 H  -2.33361660   0.65623404  -2.51683465
 H   0.74583030  -2.23511581   0.47441883
 H   2.00386373  -2.34431406  -0.76118275
 H  -0.96546462   1.62824865  -0.78836833
 H   0.48645991   0.94600963   1.24807677
 H   1.40264748   1.69770305  -0.00305993
 H  -3.24173690  -0.26435114   1.04922841
 H  -1.72209019  -1.49227238   2.59996912
 H  -0.03888983  -0.22374865   3.94693523
 H   0.09489320   2.25006164   3.76403693
 H  -1.46716671   3.48702968   2.26132723
 H  -3.13654128   2.22358406   0.90152201
 36
 Energy -2315.612872155 Gradient 0.00004573
 C  -0.20563944  -2.63226620  -2.32406722
 C  -1.25006905  -2.50658663  -3.25115394
 C  -2.02923080  -1.33788621  -3.32602059
 C  -1.75745085  -0.28830907  -2.47137170
 C  -0.69450802  -0.38984195  -1.52266855
 C   0.08343688  -1.59310424  -1.44983328
 C   1.17571721  -1.72017202  -0.42434308
 C  -0.37612991   0.70101199  -0.70405923
 C   0.78780626   0.75899483   0.16968341
 C   1.70426841  -0.42231071   0.11304747
 O   2.87097293  -0.37049552   0.52230644
Al   3.99095439   1.05539032   1.36962557
Cl   3.41451805   2.75009114   0.14570134
Cl   3.06908427   1.04895628   3.29592239
Cl   5.94331918   0.32012246   1.10696849
 C  -2.51108283   0.32617890   1.62427630
 C  -1.66931125  -0.38481630   2.48776668
 C  -0.72090677   0.30031461   3.25005559
 C  -0.62102946   1.70172027   3.15873676
 C  -1.48093383   2.41541402   2.31597457
 C  -2.42356351   1.72864829   1.54707303
 H   0.38297400  -3.55310187  -2.29586213
 H  -1.45868834  -3.33616484  -3.93233106
 H  -2.83486233  -1.26379038  -4.05919675
 H  -2.33971792   0.63605892  -2.51744601
 H   0.76163959  -2.24261389   0.46822904
 H   2.01538622  -2.34318721  -0.77204723
 H  -0.96935457   1.61647750  -0.79560645
 H   0.47892032   0.93092144   1.24390713
 H   1.39397365   1.69598966   0.00048180
 H  -3.27110211  -0.20340598   1.04322777
 H  -1.76950906  -1.46970384   2.58029081
 H  -0.05774260  -0.24177881   3.92941706
 H   0.12387355   2.22982183   3.75933783
 H  -1.41937463   3.50568769   2.26962779
 H  -3.11803652   2.28292198   0.90902045
 36
 Energy -2315.612822371 Gradient 0.00005387
 C  -0.19931385  -2.64652193  -2.32337635
 C  -1.24666318  -2.52690996  -3.24792661
 C  -2.03032959  -1.36124274  -3.32353220
 C  -1.76006270  -0.30860336  -2.47224063
 C  -0.69442190  -0.40400193  -1.52583709
 C   0.08815345  -1.60432169  -1.45222001
 C   1.18419016  -1.72481425  -0.43010574
 C  -0.37799395   0.69000046  -0.71080118
 C   0.78455558   0.75231815   0.16433129
 C   1.70703700  -0.42418900   0.10622817
 O   2.87370825  -0.36685477   0.51455850
Al   3.98876218   1.05583694   1.37346744
Cl   3.39573932   2.76517306   0.17803049
Cl   3.07997920   1.01313608   3.30534605
Cl   5.94442803   0.33759731   1.08686958
 C  -2.52678980   0.37026215   1.61932398
 C  -1.69577645  -0.36132749   2.47616465
 C  -0.73132417   0.30145509   3.23803326
 C  -0.60426789   1.70110408   3.15270362
 C  -1.45341773   2.43549507   2.31645362
 C  -2.41239393   1.77107311   1.54854235
 H   0.39288875  -3.56504178  -2.29467546
 H  -1.45402870  -3.35886675  -3.92657809
 H  -2.83819443  -1.29189330  -4.05471448
 H  -2.34581899   0.61352485  -2.51898953
 H   0.77619296  -2.24977266   0.46380836
 H   2.02633241  -2.34313488  -0.78028674
 H  -0.97381469   1.60361348  -0.80410456
 H   0.47116532   0.91730621   1.23891424
 H   1.38516151   1.69354406   0.00224191
 H  -3.29929695  -0.14167583   1.03890489
 H  -1.81660476  -1.44452411   2.56342495
 H  -0.07651224  -0.25660989   3.91258218
 H   0.15356894   2.21165712   3.75231750
 H  -1.37020372   3.52451846   2.27454732
 H  -3.09793406   2.34180131   0.91534939
 36
 Energy -2315.612783701 Gradient 0.00005702
 C  -0.19278675  -2.66002747  -2.32472481
 C  -1.24431142  -2.54648080  -3.24526504
 C  -2.03307971  -1.38416349  -3.32001726
 C  -1.76365384  -0.32879024  -2.47192552
 C  -0.69423061  -0.41821181  -1.52909692
 C   0.09367312  -1.61521488  -1.45630571
 C   1.19450376  -1.72955213  -0.43868218
 C  -0.37962611   0.67842497  -0.71712995
 C   0.78193033   0.74481844   0.15877089
 C   1.71055526  -0.42672381   0.09908749
 O   2.87655217  -0.36437873   0.50847984
Al   3.98658284   1.05636995   1.37731380
Cl   3.37587396   2.77871577   0.21041229
Cl   3.08999454   0.97755194   3.31385429
Cl   5.94495038   0.35557311   1.06723176
 C  -2.54143220   0.41493864   1.61594474
 C  -1.72158282  -0.33662870   2.46637443
 C  -0.74124841   0.30375982   3.22709371
 C  -0.58680610   1.70092803   3.14667124
 C  -1.42463839   2.45548815   2.31654003
 C  -2.39972712   1.81345711   1.55023932
 H   0.40337672  -3.57600891  -2.29684737
 H  -1.45095661  -3.38059210  -3.92149517
 H  -2.84412406  -1.31957008  -4.04809936
 H  -2.35328338   0.59089006  -2.51808304
 H   0.79420222  -2.25968925   0.45566020
 H   2.03964768  -2.34127908  -0.79337451
 H  -0.97848987   1.58998274  -0.81094991
 H   0.46485662   0.90359035   1.23375519
 H   1.37691371   1.69018392   0.00321578
 H  -3.32630853  -0.07935565   1.03677700
 H  -1.86327039  -1.41761580   2.54923065
 H  -0.09515092  -0.26971167   3.89713725
 H   0.18393953   2.19384831   3.74458999
 H  -1.31950175   3.54274783   2.27827143
 H  -3.07592942   2.40015126   0.92164222
 36
 Energy -2315.612719922 Gradient 0.00006156
 C  -0.18726882  -2.67272239  -2.32646509
 C  -1.24282728  -2.56472868  -3.24299859
 C  -2.03616627  -1.40542562  -3.31672102
 C  -1.76741905  -0.34769616  -2.47143120
 C  -0.69425878  -0.43163281  -1.53221825
 C   0.09866949  -1.62547128  -1.46076906
 C   1.20536523  -1.73386579  -0.44899406
 C  -0.38141582   0.66724817  -0.72276776
 C   0.77950234   0.73736344   0.15341697
 C   1.71412339  -0.42919698   0.09126539
 O   2.87978431  -0.36166802   0.50076005
Al   3.98420030   1.05572045   1.38121060
Cl   3.35570735   2.79169026   0.24432836
Cl   3.10053993   0.93976255   3.32172754
Cl   5.94575134   0.37430716   1.04770556
 C  -2.55452585   0.45904633   1.61241865
 C  -1.74669502  -0.31134442   2.45761810
 C  -0.75202172   0.30721614   3.21774928
 C  -0.57059880   1.70134534   3.14138225
 C  -1.39626177   2.47495736   2.31621115
 C  -2.38610457   1.85475656   1.55115143
 H   0.41265449  -3.58628947  -2.29962705
 H  -1.44897545  -3.40076144  -3.91700228
 H  -2.85023358  -1.34506588  -4.04178824
 H  -2.36076012   0.56963759  -2.51668015
 H   0.81488026  -2.27123568   0.44537255
 H   2.05371999  -2.33735796  -0.81029615
 H  -0.98334938   1.57677964  -0.81663866
 H   0.46003373   0.89103219   1.22887136
 H   1.36949466   1.68642802   0.00364699
 H  -3.35066572  -0.01802690   1.03416738
 H  -1.90874926  -1.38972882   2.53658924
 H  -0.11539186  -0.28103454   3.88407325
 H   0.21148056   2.17727389   3.73842207
 H  -1.26968644   3.56002726   2.28097204
 H  -3.05240498   2.45661091   0.92631555
 36
 Energy -2315.612663593 Gradient 0.00006811
 C  -0.18073775  -2.68640307  -2.32729266
 C  -1.23923544  -2.58427789  -3.24111598
 C  -2.03701007  -1.42800495  -3.31522264
 C  -1.76979813  -0.36745193  -2.47306596
 C  -0.69402619  -0.44555045  -1.53624621
 C   0.10358546  -1.63635486  -1.46439773
 C   1.21393839  -1.73849375  -0.45605560
 C  -0.38339229   0.65606417  -0.72989643
 C   0.77600487   0.73021766   0.14780219
 C   1.71646874  -0.43152576   0.08463476
 O   2.88163410  -0.35858241   0.49436296
Al   3.98138498   1.05580746   1.38567807
Cl   3.33497464   2.80436718   0.27879215
Cl   3.11170051   0.90417787   3.32999551
Cl   5.94487486   0.39219535   1.02796285
 C  -2.56681895   0.50377926   1.60880646
 C  -1.77106946  -0.28546088   2.44816818
 C  -0.76184950   0.31079510   3.20698139
 C  -0.55346711   1.70136419   3.13482687
 C  -1.36693581   2.49401179   2.31520646
 C  -2.37149359   1.89613751   1.55187999
 H   0.42265874  -3.59767822  -2.30030382
 H  -1.44418114  -3.42254045  -3.91271889
 H  -2.85326485  -1.37225712  -4.03819150
 H  -2.36655488   0.54763780  -2.51868195
 H   0.82990605  -2.27952391   0.43891598
 H   2.06493790  -2.33644648  -0.82047891
 H  -0.98810151   1.56363400  -0.82509933
 H   0.45215730   0.87728292   1.22337965
 H   1.36039658   1.68318383   0.00467204
 H  -3.37428224   0.04435861   1.03192753
 H  -1.95366555  -1.36080278   2.52346769
 H  -0.13468103  -0.29212766   3.86919722
 H   0.24027597   2.15974150   3.73025589
 H  -1.21901417   3.57647567   2.28314718
 H  -3.02781483   2.51309270   0.93124651
 36
 Energy -2315.612594632 Gradient 0.00006911
 C  -0.17411470  -2.70031424  -2.32831186
 C  -1.23601977  -2.60491943  -3.23888436
 C  -2.03870229  -1.45205425  -3.31354430
 C  -1.77291279  -0.38810530  -2.47529592
 C  -0.69392437  -0.45941569  -1.54152844
 C   0.10874663  -1.64690069  -1.46906009
 C   1.22283779  -1.74210310  -0.46428437
 C  -0.38546176   0.64540336  -0.73893129
 C   0.77280630   0.72445731   0.13947584
 C   1.71862073  -0.43283975   0.07722234
 O   2.88247345  -0.35547973   0.48982321
Al   3.97755022   1.05581812   1.39132692
Cl   3.31375416   2.81628754   0.31397403
Cl   3.12327558   0.86948793   3.33929957
Cl   5.94275516   0.41072034   1.00882153
 C  -2.57852657   0.54782773   1.60705026
 C  -1.79329913  -0.25952663   2.43916480
 C  -0.76882857   0.31461692   3.19458269
 C  -0.53419348   1.70116815   3.12576041
 C  -1.33702726   2.51213578   2.31315049
 C  -2.35701664   1.93633002   1.55361485
 H   0.43303794  -3.60908758  -2.30088013
 H  -1.43982893  -3.44585635  -3.90748624
 H  -2.85759193  -1.40162119  -4.03391824
 H  -2.37351822   0.52443735  -2.52137557
 H   0.84554658  -2.28695772   0.43120968
 H   2.07668967  -2.33415875  -0.83182330
 H  -0.99344912   1.55071371  -0.83506162
 H   0.44537711   0.86766413   1.21506296
 H   1.35225588   1.68075875   0.00149684
 H  -3.39780169   0.10580767   1.03320734
 H  -1.99585295  -1.33147777   2.51136554
 H  -0.14986287  -0.30238293   3.85155924
 H   0.27173161   2.14222675   3.71795447
 H  -1.16817182   3.59160333   2.28362113
 H  -3.00444238   2.56777556   0.93825071
 36
 Energy -2315.61253114 Gradient 0.00007552
 C  -0.16891144  -2.71430145  -2.32825284
 C  -1.23457386  -2.62542514  -3.23504504
 C  -2.04157743  -1.47559264  -3.31032676
 C  -1.77634203  -0.40817020  -2.47639600
 C  -0.69390776  -0.47305064  -1.54607242
 C   0.11343835  -1.65740652  -1.47305132
 C   1.23220540  -1.74577731  -0.47291822
 C  -0.38702924   0.63499076  -0.74757005
 C   0.77007218   0.71844591   0.13159342
 C   1.72132622  -0.43432457   0.06956965
 O   2.88393040  -0.35221902   0.48462704
Al   3.97404292   1.05601686   1.39664329
Cl   3.29167689   2.82784595   0.35014052
Cl   3.13478201   0.83319344   3.34723519
Cl   5.94113967   0.43117717   0.99033839
 C  -2.58774960   0.58959000   1.60391766
 C  -1.81335652  -0.23364062   2.43065836
 C  -0.77547860   0.32043641   3.18276575
 C  -0.51606554   1.70264481   3.11564770
 C  -1.30863986   2.52980568   2.30890419
 C  -2.34201033   1.97405980   1.55279379
 H   0.44155342  -3.62084251  -2.30051307
 H  -1.43798114  -3.46915983  -3.90024948
 H  -2.86332607  -1.43029544  -4.02778306
 H  -2.38025233   0.50215948  -2.52293259
 H   0.86298506  -2.29515762   0.42317469
 H   2.08871162  -2.33137573  -0.84478501
 H  -0.99794045   1.53823910  -0.84498558
 H   0.43903074   0.85674587   1.20729566
 H   1.34431618   1.67818029  -0.00061196
 H  -3.41723566   0.16349860   1.03267417
 H  -2.03448790  -1.30201100   2.50110581
 H  -0.16476479  -0.30897145   3.83572478
 H   0.30076929   2.12775277   3.70460931
 H  -1.12044744   3.60611050   2.28083299
 H  -2.98062119   2.61829208   0.94151159
 36
 Energy -2315.612454117 Gradient 0.00008204
 C  -0.16492540  -2.72857283  -2.32609510
 C  -1.23393038  -2.64645135  -3.22955965
 C  -2.04465452  -1.49933223  -3.30668533
 C  -1.77983860  -0.42791638  -2.47779098
 C  -0.69448552  -0.48619179  -1.55045610
 C   0.11698449  -1.66769449  -1.47568678
 C   1.24002059  -1.74894536  -0.47979788
 C  -0.38877811   0.62549659  -0.75675712
 C   0.76722661   0.71362331   0.12312311
 C   1.72330644  -0.43505769   0.06214489
 O   2.88494779  -0.34828146   0.47879600
Al   3.97077647   1.05615276   1.40213642
Cl   3.27049942   2.83943448   0.38780980
Cl   3.14580320   0.79647322   3.35430378
Cl   5.93902966   0.45109473   0.97159757
 C  -2.59417190   0.63089508   1.59837619
 C  -1.83151360  -0.20773863   2.42062552
 C  -0.78202694   0.32643777   3.17106198
 C  -0.49924845   1.70419461   3.10651689
 C  -1.27940954   2.54686023   2.30337514
 C  -2.32456174   2.01096134   1.54935892
 H   0.44852721  -3.63306793  -2.29713365
 H  -1.43699321  -3.49338229  -3.89078573
 H  -2.86887314  -1.45928501  -4.02160883
 H  -2.38664593   0.48037198  -2.52576932
 H   0.87819599  -2.30156247   0.41734639
 H   2.09876800  -2.32908416  -0.85521544
 H  -1.00178536   1.52708256  -0.85668506
 H   0.43282559   0.84770511   1.19882532
 H   1.33656228   1.67632305  -0.00416317
 H  -3.43279145   0.22054233   1.02892201
 H  -2.07081487  -1.27232377   2.48886470
 H  -0.18050618  -0.31491328   3.82094009
 H   0.32672673   2.11372811   3.69382995
 H  -1.07214720   3.61968800   2.27680910
 H  -2.95334209   2.66748696   0.94098749
 36
 Energy -2315.612387609 Gradient 0.00008621
 C  -0.16168963  -2.74301578  -2.32224763
 C  -1.23378438  -2.66846802  -3.22264364
 C  -2.04802849  -1.52402484  -3.30286815
 C  -1.78368488  -0.44778134  -2.48017140
 C  -0.69548703  -0.49844467  -1.55550223
 C   0.11967366  -1.67731910  -1.47763817
 C   1.24630892  -1.75073117  -0.48537990
 C  -0.39118633   0.61773180  -0.76770759
 C   0.76375811   0.71110076   0.11291092
 C   1.72430892  -0.43387919   0.05425334
 O   2.88494740  -0.34251025   0.47243764
Al   3.96697571   1.05656255   1.40768175
Cl   3.25131726   2.85242260   0.42747340
Cl   3.15699957   0.75941368   3.36073009
Cl   5.93560015   0.46947375   0.95338919
 C  -2.59949405   0.67107936   1.59254060
 C  -1.84788243  -0.18292492   2.40924754
 C  -0.78669070   0.33106764   3.15727719
 C  -0.48074256   1.70400953   3.09574736
 C  -1.24976672   2.56239314   2.29822026
 C  -2.30690197   2.04660664   1.54656238
 H   0.45452144  -3.64555059  -2.29088069
 H  -1.43656603  -3.51926534  -3.87898750
 H  -2.87462339  -1.48988429  -4.01535593
 H  -2.39324879   0.45855481  -2.53071214
 H   0.89106399  -2.30465606   0.41359232
 H   2.10709997  -2.32656668  -0.86287198
 H  -1.00621649   1.51756635  -0.87099744
 H   0.42596198   0.84097438   1.18869299
 H   1.32801849   1.67662052  -0.00948560
 H  -3.44713786   0.27659066   1.02520007
 H  -2.10476389  -1.24354959   2.47494777
 H  -0.19362644  -0.32233326   3.80295784
 H   0.35472257   2.09752005   3.68065067
 H  -1.02412307   3.63154677   2.27371249
 H  -2.92653773   2.71535079   0.94219744
 36
 Energy -2315.612302383 Gradient 0.00009072
 C  -0.16055211  -2.75744270  -2.31630734
 C  -1.23552235  -2.69034158  -3.21384535
 C  -2.05210051  -1.54786251  -3.29861676
 C  -1.78737072  -0.46628622  -2.48312554
 C  -0.69667096  -0.50960808  -1.56095592
 C   0.12124810  -1.68632263  -1.47870005
 C   1.25145905  -1.75181131  -0.49004141
 C  -0.39305154   0.61133802  -0.77982011
 C   0.76079637   0.71006433   0.10138016
 C   1.72485131  -0.43209870   0.04680696
 O   2.88407908  -0.33685660   0.46784813
Al   3.96334934   1.05703914   1.41392175
Cl   3.23072454   2.86424405   0.46825377
Cl   3.17055412   0.72304147   3.36807214
Cl   5.93148444   0.48827815   0.93394599
 C  -2.60242001   0.70913735   1.58495274
 C  -1.86160794  -0.15947648   2.39620385
 C  -0.78998612   0.33525331   3.14233935
 C  -0.46253502   1.70338979   3.08384030
 C  -1.22089195   2.57641597   2.29151601
 C  -2.28834154   2.07990270   1.54226595
 H   0.45757845  -3.65855316  -2.28152943
 H  -1.43867700  -3.54546100  -3.86442216
 H  -2.88080253  -1.51951370  -4.00890123
 H  -2.39883004   0.43856226  -2.53717245
 H   0.90265021  -2.30634088   0.41109494
 H   2.11398773  -2.32392374  -0.86944654
 H  -1.00959098   1.50968411  -0.88731516
 H   0.41957945   0.83783905   1.17688719
 H   1.32098313   1.67763898  -0.01764828
 H  -3.45811670   0.32992859   1.01927974
 H  -2.13490842  -1.21614921   2.45905813
 H  -0.20517050  -0.32941584   3.78404586
 H   0.38132104   2.08185253   3.66672569
 H  -0.97795985   3.64183117   2.26939141
 H  -2.89916012   2.76026513   0.94189663
 36
 Energy -2315.612216952 Gradient 0.00009793
 C  -0.16170368  -2.77189059  -2.30765007
 C  -1.23943973  -2.71250228  -3.20235991
 C  -2.05728934  -1.57137954  -3.29325611
 C  -1.79118602  -0.48356609  -2.48658126
 C  -0.69806728  -0.51926191  -1.56692001
 C   0.12144207  -1.69447269  -1.47854963
 C   1.25475337  -1.75203614  -0.49304076
 C  -0.39443149   0.60700524  -0.79358225
 C   0.75828290   0.71105402   0.08825446
 C   1.72453024  -0.42937551   0.03987627
 O   2.88202989  -0.33111779   0.46477952
Al   3.95964200   1.05687922   1.42088781
Cl   3.21100948   2.87546738   0.51068009
Cl   3.18458325   0.68691623   3.37552854
Cl   5.92670166   0.50726860   0.91415779
 C  -2.60228764   0.74439396   1.57438924
 C  -1.87191785  -0.13746527   2.38096206
 C  -0.79144214   0.33943681   3.12589840
 C  -0.44437798   1.70289049   3.07057584
 C  -1.19244255   2.58935366   2.28298226
 C  -2.26879368   2.11062779   1.53510380
 H   0.45741571  -3.67213109  -2.26815346
 H  -1.44381771  -3.57268128  -3.84585913
 H  -2.88809691  -1.54906426  -4.00129031
 H  -2.40369405   0.42027840  -2.54544331
 H   0.91135054  -2.30612584   0.41035373
 H   2.11861540  -2.32163284  -0.87338422
 H  -1.01159084   1.50428353  -0.90635917
 H   0.41368142   0.83848171   1.16321388
 H   1.31541368   1.67998109  -0.02845263
 H  -3.46479497   0.37923285   1.00979206
 H  -2.16016756  -1.19031781   2.44102983
 H  -0.21453038  -0.33552360   3.76405262
 H   0.40671760   2.06725156   3.65200811
 H  -0.93382160   3.65111802   2.26322696
 H  -2.87111651   2.80145699   0.93815140
 36
 Energy -2315.612126203 Gradient 0.00010476
 C  -0.16534904  -2.78596234  -2.29621463
 C  -1.24595200  -2.73472228  -3.18790868
 C  -2.06429587  -1.59456417  -3.28627951
 C  -1.79591299  -0.49982504  -2.48987204
 C  -0.70030170  -0.52741811  -1.57278114
 C   0.12004145  -1.70147416  -1.47710687
 C   1.25695583  -1.75055579  -0.49541093
 C  -0.39566334   0.60505321  -0.80901400
 C   0.75637437   0.71487114   0.07287665
 C   1.72392202  -0.42466586   0.03216684
 O   2.87960718  -0.32396753   0.46118225
Al   3.95607815   1.05728788   1.42830868
Cl   3.19265510   2.88740212   0.55536208
Cl   3.19853583   0.65016298   3.38248836
Cl   5.92129540   0.52499155   0.89559621
 C  -2.59916893   0.77524145   1.56145726
 C  -1.87813783  -0.11800250   2.36406128
 C  -0.79027506   0.34328456   3.10798251
 C  -0.42613364   1.70248217   3.05528431
 C  -1.16511804   2.60052701   2.27188194
 C  -2.24892921   2.13732770   1.52515876
 H   0.45426673  -3.68559850  -2.25098532
 H  -1.45217660  -3.60055944  -3.82316950
 H  -2.89726416  -1.57851534  -3.99194466
 H  -2.40885889   0.40331070  -2.55462068
 H   0.91972008  -2.30341834   0.41101999
 H   2.12175821  -2.31810127  -0.87693278
 H  -1.01256127   1.50162392  -0.92871912
 H   0.40882604   0.84336587   1.14726020
 H   1.31088586   1.68446809  -0.04315965
 H  -3.46734974   0.42233954   0.99774666
 H  -2.17934556  -1.16734764   2.42165566
 H  -0.22036119  -0.34045457   3.74306867
 H   0.43102341   2.05457689   3.63549489
 H  -0.89281083   3.65889346   2.25411225
 H  -2.84374542   2.83718531   0.93123220
 36
 Energy -2315.612025772 Gradient 0.00011347
 C  -0.17141137  -2.79969443  -2.28225822
 C  -1.25490139  -2.75648424  -3.17080999
 C  -2.07254508  -1.61660493  -3.27818708
 C  -1.80076759  -0.51420470  -2.49361499
 C  -0.70273399  -0.53398428  -1.57928072
 C   0.11743397  -1.70742851  -1.47466528
 C   1.25788989  -1.74782083  -0.49669868
 C  -0.39562962   0.60537028  -0.82690361
 C   0.75553443   0.72105386   0.05517300
 C   1.72317669  -0.41855930   0.02432085
 O   2.87660365  -0.31615013   0.45869051
Al   3.95254798   1.05806435   1.43673226
Cl   3.17539552   2.89924403   0.60142863
Cl   3.21250962   0.61357150   3.38942510
Cl   5.91528311   0.54256487   0.87789106
 C  -2.59403107   0.80161950   1.54670691
 C  -1.88022549  -0.10171144   2.34466661
 C  -0.78611583   0.34598017   3.08755583
 C  -0.40786079   1.70151174   3.03785163
 C  -1.13991118   2.60979388   2.25941024
 C  -2.23019693   2.16018605   1.51396359
 H   0.44763834  -3.69935906  -2.23021488
 H  -1.46400837  -3.62856147  -3.79653097
 H  -2.90763411  -1.60690977  -3.98144855
 H  -2.41308936   0.38883505  -2.56542910
 H   0.92639201  -2.29815588   0.41333114
 H   2.12314898  -2.31447410  -0.87873554
 H  -1.01127907   1.50173256  -0.95497880
 H   0.40459857   0.85188423   1.12870386
 H   1.30778119   1.69086511  -0.06129753
 H  -3.46702314   0.45935059   0.98385817
 H  -2.19203206  -1.14809796   2.39944117
 H  -0.22143066  -0.34548910   3.71896136
 H   0.45473248   2.04274937   3.61657215
 H  -0.85628609   3.66522773   2.24399848
 H  -2.81916461   2.86789681   0.92356825
 36
 Energy -2315.611916473 Gradient 0.00012462
 C  -0.17961115  -2.81325894  -2.26512292
 C  -1.26625445  -2.77877675  -3.15012992
 C  -2.08225232  -1.63875626  -3.26818817
 C  -1.80581151  -0.52770049  -2.49761033
 C  -0.70512992  -0.53893208  -1.58630839
 C   0.11374361  -1.71226376  -1.47105208
 C   1.25757075  -1.74384473  -0.49680811
 C  -0.39484129   0.60790119  -0.84664009
 C   0.75543002   0.72935247   0.03552573
 C   1.72222591  -0.41111512   0.01611256
 O   2.87316568  -0.30727777   0.45644650
Al   3.94912353   1.05918317   1.44553848
Cl   3.15953819   2.91123348   0.64837874
Cl   3.22534826   0.57842702   3.39584443
Cl   5.90899019   0.55962586   0.86193531
 C  -2.58663277   0.82334914   1.52983052
 C  -1.87802003  -0.08862778   2.32272085
 C  -0.77834749   0.34755042   3.06417849
 C  -0.38938037   1.70032484   3.01827210
 C  -1.11667059   2.61737468   2.24534412
 C  -2.21231158   2.17912527   1.50112563
 H   0.43822687  -3.71325009  -2.20480215
 H  -1.47915827  -3.65786617  -3.76465184
 H  -2.91974779  -1.63585387  -3.96865082
 H  -2.41687531   0.37547100  -2.57791041
 H   0.93105461  -2.29027068   0.41732487
 H   2.12279613  -2.31093801  -0.87857260
 H  -1.00846215   1.50426444  -0.98420032
 H   0.40080521   0.86282011   1.10817541
 H   1.30661289   1.69878408  -0.08059179
 H  -3.46367619   0.49000517   0.96791588
 H  -2.19798313  -1.13270672   2.37431340
 H  -0.21714678  -0.35059633   3.69134171
 H   0.47782937   2.03245528   3.59550647
 H  -0.82427010   3.67043972   2.23268144
 H  -2.79700714   2.89350852   0.91456745
 36
 Energy -2315.611797445 Gradient 0.00014313
 C  -0.19005765  -2.82644988  -2.24473429
 C  -1.28019274  -2.80124007  -3.12567168
 C  -2.09393516  -1.66089178  -3.25572250
 C  -1.81192014  -0.54047242  -2.50092253
 C  -0.70824329  -0.54259644  -1.59321497
 C   0.10877388  -1.71592631  -1.46600583
 C   1.25648340  -1.73794464  -0.49617573
 C  -0.39386176   0.61247886  -0.86817529
 C   0.75629566   0.74076902   0.01302379
 C   1.72084522  -0.40161461   0.00787921
 O   2.86888336  -0.29738291   0.45535189
Al   3.94547999   1.06069611   1.45499983
Cl   3.14500084   2.92274780   0.69464136
Cl   3.23706266   0.54570795   3.40230213
Cl   5.90197275   0.57538432   0.84765551
 C  -2.57515451   0.83957690   1.50973227
 C  -1.87010739  -0.07925473   2.29816786
 C  -0.76710702   0.34822533   3.03950796
 C  -0.37071042   1.69908335   2.99750347
 C  -1.09482160   2.62310823   2.22948045
 C  -2.19406471   2.19351121   1.48564487
 H   0.42604507  -3.72696479  -2.17511116
 H  -1.49768608  -3.68796111  -3.72748577
 H  -2.93409146  -1.66520481  -3.95298145
 H  -2.42121367   0.36300808  -2.59072227
 H   0.93596349  -2.28026288   0.42241623
 H   2.12163476  -2.30530021  -0.87799643
 H  -1.00487410   1.50891920  -1.01668511
 H   0.39915155   0.88083224   1.08444094
 H   1.30724629   1.70878718  -0.10678489
 H  -3.45474873   0.51288224   0.94789747
 H  -2.19555871  -1.12180197   2.34619686
 H  -0.20822524  -0.35508195   3.66298877
 H   0.49971857   2.02424099   3.57393091
 H  -0.79614092   3.67442767   2.21988812
 H  -2.77586674   2.91313085   0.90267016
 36
 Energy -2315.611658742 Gradient 0.00015818
 C  -0.20270281  -2.83831345  -2.22353236
 C  -1.29700828  -2.82243471  -3.09944384
 C  -2.10800238  -1.68157607  -3.24185883
 C  -1.81924539  -0.55160257  -2.50405886
 C  -0.71192070  -0.54461421  -1.60083912
 C   0.10278211  -1.71805879  -1.46134895
 C   1.25480816  -1.73069312  -0.49650833
 C  -0.39259043   0.61874561  -0.89130163
 C   0.75824722   0.75417148  -0.01220718
 C   1.71930466  -0.39102034  -0.00092121
 O   2.86355619  -0.28726040   0.45612301
Al   3.94145121   1.06224149   1.46567670
Cl   3.13123173   2.93315383   0.74005011
Cl   3.24884927   0.51585551   3.41008178
Cl   5.89396987   0.58978766   0.83480475
 C  -2.56049385   0.85119230   1.48795701
 C  -1.85726105  -0.07345179   2.27155644
 C  -0.75207917   0.34721737   3.01321964
 C  -0.35120583   1.69702899   2.97608164
 C  -1.07403569   2.62690956   2.21355626
 C  -2.17564122   2.20407523   1.46945089
 H   0.41121233  -3.73955308  -2.14431496
 H  -1.51999477  -3.71697629  -3.68752866
 H  -2.95134805  -1.69314126  -3.93518211
 H  -2.42637842   0.35231324  -2.60364597
 H   0.94088479  -2.26946199   0.42633239
 H   2.11973100  -2.29814359  -0.87914198
 H  -1.00080549   1.51518177  -1.05096056
 H   0.39962560   0.90385461   1.05779897
 H   1.30999447   1.71993611  -0.13814573
 H  -3.44176072   0.52956315   0.92580719
 H  -2.18590335  -1.11519426   2.31514274
 H  -0.19408938  -0.36042910   3.63257482
 H   0.52156865   2.01676771   3.55209662
 H  -0.77150301   3.67714397   2.20783538
 H  -2.75601653   2.92792298   0.89033199
 36
 Energy -2315.611515651 Gradient 0.00017625
 C  -0.21679037  -2.84873522  -2.20286338
 C  -1.31649074  -2.84218978  -3.07201366
 C  -2.12496657  -1.70100513  -3.22578917
 C  -1.82828521  -0.56157610  -2.50594994
 C  -0.71602388  -0.54543958  -1.60897600
 C   0.09641941  -1.71889678  -1.45799692
 C   1.25396793  -1.72247867  -0.49976880
 C  -0.39086278   0.62616916  -0.91573468
 C   0.76121194   0.76859365  -0.03951168
 C   1.71761295  -0.38003498  -0.01046538
 O   2.85707403  -0.27741613   0.45853795
Al   3.93632686   1.06385078   1.47700114
Cl   3.11752439   2.94252311   0.78401095
Cl   3.26144674   0.48944557   3.41953462
Cl   5.88477639   0.60310089   0.82435965
 C  -2.54309567   0.85899469   1.46498314
 C  -1.84043442  -0.07068058   2.24357530
 C  -0.73394876   0.34458824   2.98594414
 C  -0.33056305   1.69388336   2.95400997
 C  -1.05329805   2.62883913   2.19717257
 C  -2.15665091   2.21139126   1.45267055
 H   0.39498247  -3.75060249  -2.11465999
 H  -1.54586002  -3.74443475  -3.64568527
 H  -2.97256923  -1.71983777  -3.91373792
 H  -2.43334971   0.34268312  -2.61465723
 H   0.94916782  -2.26060329   0.42633439
 H   2.11906963  -2.28759143  -0.88589346
 H  -0.99620879   1.52259658  -1.08622620
 H   0.40195819   0.93055386   1.02870126
 H   1.31500036   1.73113013  -0.17372777
 H  -3.42542999   0.54127167   0.90228634
 H  -2.17083816  -1.11204890   2.28245247
 H  -0.17590128  -0.36665736   3.60113525
 H   0.54385325   2.00935676   3.52993505
 H  -0.74845115   3.67841604   2.19573047
 H  -2.73661662   2.93882855   0.87770547
 36
 Energy -2315.611354287 Gradient 0.00020519
 C  -0.23168683  -2.85787412  -2.18285332
 C  -1.33851072  -2.86099192  -3.04282791
 C  -2.14491118  -1.71972612  -3.20681385
 C  -1.83915814  -0.57093969  -2.50594119
 C  -0.72034291  -0.54542426  -1.61740933
 C   0.09053902  -1.71846915  -1.45642225
 C   1.25580616  -1.71296132  -0.50760674
 C  -0.38898342   0.63406861  -0.94052043
 C   0.76555429   0.78385735  -0.06891217
 C   1.71656943  -0.36839391  -0.02078519
 O   2.84984140  -0.26762361   0.46345505
Al   3.93033042   1.06546885   1.48976758
Cl   3.10436335   2.95048677   0.82523220
Cl   3.27194606   0.46812498   3.43097379
Cl   5.87426370   0.61358548   0.81648781
 C  -2.52261129   0.86391614   1.44015724
 C  -1.81931501  -0.07031933   2.21323744
 C  -0.71253190   0.34055160   2.95710773
 C  -0.30879974   1.68994381   2.93181790
 C  -1.03252120   2.62941323   2.18110022
 C  -2.13659292   2.21635613   1.43525001
 H   0.37833939  -3.76014086  -2.08665144
 H  -1.57522009  -3.77092952  -3.60115620
 H  -2.99807024  -1.74599496  -3.88762133
 H  -2.44263154   0.33337795  -2.62277159
 H   0.96477819  -2.25566402   0.41995973
 H   2.12170404  -2.27160408  -0.90213176
 H  -0.99228920   1.53003817  -1.12047119
 H   0.40734195   0.96153429   0.99723850
 H   1.32210756   1.74235502  -0.21426319
 H  -3.40532957   0.54922729   0.87634800
 H  -2.14988037  -1.11185533   2.24628266
 H  -0.15352745  -0.37395739   3.56761503
 H   0.56654134   2.00204827   3.50822045
 H  -0.72700757   3.67878317   2.18495094
 H  -2.71692935   2.94697701   0.86472983
 36
 Energy -2315.611163909 Gradient 0.00022786
 C  -0.24709273  -2.86620521  -2.16340931
 C  -1.36248194  -2.87914251  -3.01200840
 C  -2.16693277  -1.73788466  -3.18551126
 C  -1.85089393  -0.57976191  -2.50490477
 C  -0.72403921  -0.54473548  -1.62692753
 C   0.08559312  -1.71713967  -1.45687496
 C   1.26045482  -1.70268042  -0.52004359
 C  -0.38675735   0.64214835  -0.96589837
 C   0.77139621   0.79967239  -0.10059891
 C   1.71613807  -0.35667345  -0.03178346
 O   2.84159166  -0.25828336   0.47098846
Al   3.92387035   1.06701551   1.50389602
Cl   3.09193212   2.95723304   0.86395804
Cl   3.28153960   0.45236669   3.44488391
Cl   5.86215289   0.62085935   0.80965464
 C  -2.50129583   0.86676860   1.41556423
 C  -1.79602189  -0.07165761   2.18238613
 C  -0.68905160   0.33559106   2.92743747
 C  -0.28608201   1.68531594   2.90878473
 C  -1.01205520   2.62894373   2.16497051
 C  -2.11720512   2.21961299   1.41866660
 H   0.36113530  -3.76885760  -2.05960739
 H  -1.60769306  -3.79685264  -3.55369167
 H  -3.02682687  -1.77170982  -3.85744854
 H  -2.45305693   0.32446866  -2.62900608
 H   0.98838287  -2.25573786   0.40672575
 H   2.12771004  -2.24988707  -0.92831827
 H  -0.98872632   1.53726199  -1.15448499
 H   0.41577212   0.99717483   0.96277035
 H   1.33177707   1.75286034  -0.26071892
 H  -3.38446619   0.55443114   0.85113889
 H  -2.12574964  -1.11363538   2.20937622
 H  -0.12828577  -0.38179149   3.53294158
 H   0.59017834   1.99466043   3.48531824
 H  -0.70682030   3.67837551   2.17457426
 H  -2.69917420   2.95313182   0.85363072
 36
 Energy -2315.610952315 Gradient 0.00025161
 C  -0.26183090  -2.87344087  -2.14579826
 C  -1.38725242  -2.89608619  -2.98070948
 C  -2.19053231  -1.75516804  -3.16204485
 C  -1.86333794  -0.58813188  -2.50240735
 C  -0.72709006  -0.54376281  -1.63700158
 C   0.08213568  -1.71516830  -1.45973474
 C   1.26964059  -1.69141542  -0.53906406
 C  -0.38273641   0.65048307  -0.99316603
 C   0.77769784   0.81496540  -0.13226395
 C   1.71614565  -0.34490571  -0.04290466
 O   2.83197986  -0.24932352   0.48159608
Al   3.91651274   1.06857708   1.51884455
Cl   3.07956144   2.96300578   0.90020490
Cl   3.29149693   0.43975485   3.46063436
Cl   5.84844323   0.62616342   0.80326534
 C  -2.47998707   0.86826446   1.39186798
 C  -1.77213166  -0.07402257   2.15213192
 C  -0.66518421   0.33002433   2.89843845
 C  -0.26396482   1.68032234   2.88705200
 C  -0.99251020   2.62765075   2.15004127
 C  -2.09831495   2.22155713   1.40285825
 H   0.34525272  -3.77621380  -2.03603708
 H  -1.64143244  -3.82118066  -3.50543854
 H  -3.05826239  -1.79644667  -3.82341198
 H  -2.46463968   0.31583100  -2.63258392
 H   1.02420465  -2.26303761   0.38331565
 H   2.13934129  -2.21890744  -0.96888734
 H  -0.98337217   1.54476929  -1.18992959
 H   0.42404368   1.03337192   0.92739154
 H   1.34256124   1.76240671  -0.30693185
 H  -3.36342595   0.55792301   0.82675554
 H  -2.10035229  -1.11664406   2.17274339
 H  -0.10227650  -0.39007932   3.49869421
 H   0.61297779   1.98748157   3.46372700
 H  -0.68812082   3.67725174   2.16522371
 H  -2.68203424   2.95767803   0.84304348
 36
 Energy -2315.610704746 Gradient 0.00026996
 C  -0.27545505  -2.87945969  -2.13002462
 C  -1.41193083  -2.91187516  -2.94933893
 C  -2.21472546  -1.77161189  -3.13715560
 C  -1.87643028  -0.59613810  -2.49854783
 C  -0.72967885  -0.54234941  -1.64756543
 C   0.08024876  -1.71221722  -1.46518108
 C   1.28303279  -1.67893937  -0.56477770
 C  -0.37952880   0.65835605  -1.01897408
 C   0.78399318   0.82987944  -0.16345695
 C   1.71657543  -0.33309650  -0.05468303
 O   2.82108209  -0.24059975   0.49399001
Al   3.90819927   1.06984394   1.53471383
Cl   3.06762576   2.96763912   0.93370550
Cl   3.30119461   0.42925262   3.47795281
Cl   5.83290025   0.62924631   0.79724467
 C  -2.45731446   0.86897595   1.36796459
 C  -1.74665030  -0.07693258   2.12165995
 C  -0.64088458   0.32461897   2.87063741
 C  -0.24273073   1.67582529   2.86770826
 C  -0.97373975   2.62649539   2.13709645
 C  -2.07940822   2.22306934   1.38817266
 H   0.33114434  -3.78196700  -2.01532029
 H  -1.67533891  -3.84407818  -3.45663042
 H  -3.09106685  -1.82030407  -3.78655736
 H  -2.47787061   0.30708365  -2.63317404
 H   1.07295503  -2.27706984   0.34866005
 H   2.15503862  -2.17797658  -1.02452792
 H  -0.98026051   1.55122318  -1.22181657
 H   0.43197977   1.06705636   0.89227590
 H   1.35299363   1.77162917  -0.35246004
 H  -3.34040624   0.56020177   0.80144599
 H  -2.07224507  -1.12050118   2.13491758
 H  -0.07590002  -0.39785187   3.46607919
 H   0.63365588   1.98113986   3.44623822
 H  -0.67114235   3.67650743   2.15876924
 H  -2.66515784   2.96158356   0.83370950
 36
 Energy -2315.610455996 Gradient 0.00027188
 C  -0.28774632  -2.88506388  -2.11476431
 C  -1.43504236  -2.92704688  -2.91823858
 C  -2.23793176  -1.78777975  -3.11192067
 C  -1.88956021  -0.60444577  -2.49370123
 C  -0.73221989  -0.54124455  -1.65773660
 C   0.07927026  -1.70918437  -1.47136371
 C   1.29885076  -1.66574359  -0.59421796
 C  -0.37714394   0.66547492  -1.04355504
 C   0.79042318   0.84454286  -0.19468888
 C   1.71642534  -0.32168666  -0.06572738
 O   2.80815609  -0.23263708   0.50862916
Al   3.89889155   1.07079520   1.55067153
Cl   3.05673200   2.97194866   0.96533470
Cl   3.30998857   0.41991455   3.49556878
Cl   5.81557489   0.63067929   0.79044970
 C  -2.43338579   0.87011996   1.34393603
 C  -1.72021557  -0.07934579   2.09148462
 C  -0.61656288   0.31980259   2.84430031
 C  -0.22210325   1.67193671   2.85076200
 C  -0.95509492   2.62584458   2.12592157
 C  -2.05993787   2.22500103   1.37426549
 H   0.31887938  -3.78704015  -1.99564034
 H  -1.70695385  -3.86590991  -3.40848577
 H  -3.12264763  -1.84372717  -3.74927935
 H  -2.49187981   0.29764349  -2.63200524
 H   1.13143015  -2.29594655   0.30531515
 H   2.17236757  -2.12801103  -1.09007476
 H  -0.97887153   1.55660501  -1.25118090
 H   0.44290014   1.10664353   0.85581460
 H   1.36481276   1.77844666  -0.40326241
 H  -3.31560797   0.56274504   0.77529449
 H  -2.04279338  -1.12393211   2.09662962
 H  -0.04989867  -0.40514366   3.43505900
 H   0.65306189   1.97578533   3.43191471
 H  -0.65472425   3.67628555   2.15472982
 H  -2.64748437   2.96585801   0.82486442
 36
 Energy -2315.61018597 Gradient 0.00026731
 C  -0.29828777  -2.89046885  -2.09941327
 C  -1.45544974  -2.94192142  -2.88789550
 C  -2.25917518  -1.80418467  -3.08727934
 C  -1.90257262  -0.61357512  -2.48814549
 C  -0.73529117  -0.54081716  -1.66680495
 C   0.07862669  -1.70632891  -1.47696304
 C   1.31523256  -1.65175400  -0.62463363
 C  -0.37609325   0.67187173  -1.06692322
 C   0.79671734   0.85951008  -0.22624926
 C   1.71548293  -0.31024444  -0.07608817
 O   2.79329869  -0.22501255   0.52453205
Al   3.88889918   1.07156117   1.56641328
Cl   3.04632819   2.97626622   0.99637780
Cl   3.31754724   0.41004839   3.51243672
Cl   5.79707672   0.63160272   0.78272471
 C  -2.40767000   0.87123381   1.31914795
 C  -1.69189345  -0.08127166   2.06116068
 C  -0.59175106   0.31614550   2.81951144
 C  -0.20233276   1.66939251   2.83632121
 C  -0.93699162   2.62600481   2.11639731
 C  -2.03948080   2.22714376   1.36010113
 H   0.30894183  -3.79149011  -1.97607452
 H  -1.73458644  -3.88696424  -3.36191418
 H  -3.15150204  -1.86736921  -3.71325222
 H  -2.50654864   0.28692788  -2.62958022
 H   1.19523451  -2.31524062   0.25724099
 H   2.18815117  -2.07162642  -1.15969556
 H  -0.97964564   1.56076956  -1.27877402
 H   0.45558768   1.14965041   0.81772027
 H   1.37686830   1.78372288  -0.45912482
 H  -3.28819145   0.56468688   0.74745305
 H  -2.01054889  -1.12709432   2.05761195
 H  -0.02356023  -0.41089624   3.40622321
 H   0.67053487   1.97231921   3.42132846
 H  -0.63975994   3.67713256   2.15308522
 H  -2.62857729   2.97004751   0.81519295
 36
 Energy -2315.609911682 Gradient 0.00026427
 C  -0.30712357  -2.89580473  -2.08397967
 C  -1.47285180  -2.95691913  -2.85892807
 C  -2.27835173  -1.82136807  -3.06390941
 C  -1.91568787  -0.62388971  -2.48245329
 C  -0.73951471  -0.54121941  -1.67471249
 C   0.07751517  -1.70382098  -1.48139026
 C   1.32951716  -1.63744355  -0.65279811
 C  -0.37719785   0.67737534  -1.08877595
 C   0.80219493   0.87490148  -0.25817905
 C   1.71320397  -0.29851749  -0.08594803
 O   2.77695283  -0.21686432   0.53953536
Al   3.87864284   1.07261915   1.58182392
Cl   3.03585445   2.98061565   1.02780685
Cl   3.32411760   0.39867861   3.52791584
Cl   5.77787809   0.63234381   0.77500846
 C  -2.37884411   0.87209081   1.29286010
 C  -1.65991037  -0.08268938   2.02986920
 C  -0.56493725   0.31423800   2.79537780
 C  -0.18288502   1.66904946   2.82380124
 C  -0.91965258   2.62755273   2.10817026
 C  -2.01836947   2.22946342   1.34586508
 H   0.30149865  -3.79532276  -1.95636736
 H  -1.75735281  -3.90776710  -3.31792318
 H  -3.17725877  -1.89191808  -3.67959541
 H  -2.52202971   0.27453066  -2.62707563
 H   1.25552168  -2.33048147   0.21004477
 H   2.19976232  -2.01492053  -1.22440047
 H  -0.98319781   1.56357172  -1.30485175
 H   0.47073605   1.19672735   0.77799001
 H   1.38818268   1.78682619  -0.52111153
 H  -3.25666638   0.56533156   0.71712650
 H  -1.97304388  -1.13012509   2.01668171
 H   0.00501900  -0.41424787   3.37849366
 H   0.68640593   1.97221194   3.41387699
 H  -0.62730940   3.67969169   2.15362228
 H  -2.60956964   2.97375663   0.80515121
 36
 Energy -2315.609650086 Gradient 0.00026069
 C  -0.31419152  -2.90108024  -2.06935751
 C  -1.48690779  -2.97169407  -2.83281068
 C  -2.29548381  -1.83912208  -3.04231892
 C  -1.92939724  -0.63552293  -2.47591685
 C  -0.74561662  -0.54287210  -1.68036880
 C   0.07527214  -1.70211488  -1.48385165
 C   1.33966349  -1.62408207  -0.67553913
 C  -0.38070026   0.68169642  -1.10863564
 C   0.80727000   0.89043543  -0.29097128
 C   1.70933639  -0.28703840  -0.09486693
 O   2.75944990  -0.20850635   0.55327461
Al   3.86776437   1.07360010   1.59598579
Cl   3.02534126   2.98546283   1.06070522
Cl   3.32977633   0.38559965   3.54135841
Cl   5.75837598   0.63335200   0.76701374
 C  -2.34664947   0.87347908   1.26476501
 C  -1.62411222  -0.08309043   1.99704850
 C  -0.53589155   0.31418021   2.77147116
 C  -0.16321439   1.67083087   2.81305055
 C  -0.90235311   2.63070823   2.10131040
 C  -1.99570057   2.23261044   1.33123903
 H   0.29676102  -3.79848406  -1.93804335
 H  -1.77458446  -3.92761531  -3.27910174
 H  -3.19984593  -1.91695886  -3.64908125
 H  -2.53893564   0.26030346  -2.62320754
 H   1.30549294  -2.33958779   0.17023380
 H   2.20579858  -1.96461034  -1.27739778
 H  -0.98885243   1.56516231  -1.32966730
 H   0.48881841   1.24815225   0.73545524
 H   1.39934426   1.78638296  -0.59078125
 H  -3.22102117   0.56588883   0.68427113
 H  -1.93034723  -1.13242035   1.97321809
 H   0.03585836  -0.41535959   3.35145696
 H   0.70115735   1.97522597   3.40960572
 H  -0.61640631   3.68413430   2.15678638
 H  -2.58932043   2.97788876   0.79457280
 36
 Energy -2315.60938335 Gradient 0.00025070
 C  -0.31967642  -2.90633988  -2.05634452
 C  -1.49777865  -2.98585172  -2.81055098
 C  -2.31042040  -1.85674614  -3.02338196
 C  -1.94340130  -0.64798377  -2.46874623
 C  -0.75349718  -0.54602447  -1.68349019
 C   0.07195989  -1.70145485  -1.48452262
 C   1.34543711  -1.61241558  -0.69194330
 C  -0.38691173   0.68433218  -1.12530105
 C   0.81225428   0.90579263  -0.32465221
 C   1.70422615  -0.27596420  -0.10275641
 O   2.74141975  -0.19983087   0.56564044
Al   3.85689115   1.07495944   1.60957594
Cl   3.01460460   2.99027703   1.09409969
Cl   3.33450730   0.37061110   3.55309460
Cl   5.73857255   0.63534397   0.75825815
 C  -2.31070205   0.87524788   1.23442407
 C  -1.58399764  -0.08257777   1.96236444
 C  -0.50499807   0.31606495   2.74836535
 C  -0.14443535   1.67489898   2.80532466
 C  -0.88580988   2.63541543   2.09649928
 C  -1.97210002   2.23651034   1.31688889
 H   0.29432933  -3.80124928  -1.92219742
 H  -1.78653941  -3.94602830  -3.24690171
 H  -3.21889160  -1.94146783  -3.62304575
 H  -2.55660920   0.24500370  -2.61813031
 H   1.34257290  -2.34295434   0.14073420
 H   2.20738481  -1.92418984  -1.31619876
 H  -0.99778109   1.56466934  -1.35099508
 H   0.51291060   1.30659947   0.68896186
 H   1.41044652   1.77987306  -0.67161303
 H  -3.18044072   0.56601947   0.64789690
 H  -1.88131647  -1.13416013   1.92611113
 H   0.06873954  -0.41406825   3.32553804
 H   0.71314950   1.98064400   3.41074696
 H  -0.60848756   3.69046338   2.16359074
 H  -2.56855485   2.98232921   0.78414889
 36
 Energy -2315.609110235 Gradient 0.00025042
 C  -0.32477711  -2.91157018  -2.04542631
 C  -1.50694567  -2.99911790  -2.79236458
 C  -2.32404308  -1.87363006  -3.00731191
 C  -1.95753598  -0.66068329  -2.46156105
 C  -0.76275475  -0.55025171  -1.68491373
 C   0.06727523  -1.70185944  -1.48410783
 C   1.34694333  -1.60340346  -0.70274738
 C  -0.39514551   0.68537423  -1.13885107
 C   0.81732493   0.91976633  -0.35858629
 C   1.69797183  -0.26643772  -0.10963092
 O   2.72334829  -0.19198390   0.57637112
Al   3.84577363   1.07628874   1.62228193
Cl   3.00346817   2.99496162   1.12756104
Cl   3.33816121   0.35443513   3.56301462
Cl   5.71911251   0.63904381   0.75003112
 C  -2.27114321   0.87800804   1.20255068
 C  -1.54014634  -0.08077326   1.92650078
 C  -0.47209971   0.31958527   2.72607750
 C  -0.12588576   1.68064542   2.80043529
 C  -0.86960614   2.64156948   2.09439565
 C  -1.94664535   2.24153221   1.30278772
 H   0.29247371  -3.80391994  -1.90918929
 H  -1.79549448  -3.96277695  -3.22110797
 H  -3.23567749  -1.96446880  -3.60124711
 H  -2.57454474   0.22944767  -2.61241172
 H   1.36691142  -2.34312713   0.12091592
 H   2.20524532  -1.89461622  -1.34267156
 H  -1.00869587   1.56254055  -1.36904178
 H   0.54164056   1.36742770   0.63897531
 H   1.42132237   1.76592826  -0.75954067
 H  -3.13561745   0.56685142   0.60937102
 H  -1.82711847  -1.13473322   1.87646566
 H   0.10377151  -0.41095695   3.30052921
 H   0.72335140   1.98849483   3.41634407
 H  -0.60252383   3.69832832   2.17480161
 H  -2.54601185   2.98763460   0.77375271
 36
 Energy -2315.60887527 Gradient 0.00024825
 C  -0.33022408  -2.91688054  -2.03672255
 C  -1.51510361  -3.01094436  -2.77849399
 C  -2.33652678  -1.88872996  -2.99410211
 C  -1.97167869  -0.67272670  -2.45404473
 C  -0.77318150  -0.55528665  -1.68428151
 C   0.06093166  -1.70353628  -1.48240480
 C   1.34424213  -1.59798729  -0.70790895
 C  -0.40477414   0.68485004  -1.14845457
 C   0.82340375   0.93141906  -0.39271747
 C   1.69128745  -0.25933463  -0.11579322
 O   2.70642517  -0.18557060   0.58485789
Al   3.83398850   1.07714081   1.63329607
Cl   2.99086186   2.99914810   1.16025944
Cl   3.34071545   0.33785883   3.57104675
Cl   5.70084705   0.64532866   0.74316161
 C  -2.22768394   0.88101805   1.16941433
 C  -1.49239128  -0.07805499   1.89036970
 C  -0.43739802   0.32501859   2.70540221
 C  -0.10802736   1.68838552   2.79854833
 C  -0.85421259   2.64906479   2.09460553
 C  -1.91954581   2.24696412   1.28872435
 H   0.29023262  -3.80683636  -1.89930818
 H  -1.80246493  -3.97707812  -3.20241167
 H  -3.25032312  -1.98447439  -3.58394162
 H  -2.59219991   0.21485068  -2.60560046
 H   1.37852583  -2.34145949   0.11143111
 H   2.19999945  -1.87745576  -1.35710534
 H  -1.02025097   1.55942611  -1.38276662
 H   0.57782204   1.43018445   0.58490633
 H   1.43259583   1.74195857  -0.85449399
 H  -3.08587542   0.56732902   0.56858775
 H  -1.76761358  -1.13444343   1.82605465
 H   0.14049742  -0.40535897   3.27790762
 H   0.73118237   1.99896608   3.42651127
 H  -0.59943889   3.70763022   2.18947275
 H  -2.52214541   2.99264517   0.76279960
 36
 Energy -2315.608630832 Gradient 0.00025942
 C  -0.33637675  -2.92209432  -2.02995654
 C  -1.52277352  -3.02090469  -2.76862894
 C  -2.34777504  -1.90134068  -2.98395088
 C  -1.98491106  -0.68342508  -2.44671238
 C  -0.78397555  -0.56090237  -1.68187869
 C   0.05328759  -1.70639266  -1.47948381
 C   1.33773006  -1.59636064  -0.70722851
 C  -0.41462143   0.68306267  -1.15440434
 C   0.83145819   0.94041200  -0.42733031
 C   1.68489142  -0.25486289  -0.12123005
 O   2.69130043  -0.18114546   0.59151513
Al   3.82184791   1.07782522   1.64285025
Cl   2.97578159   3.00221443   1.19074409
Cl   3.34126141   0.32193952   3.57728393
Cl   5.68378479   0.65431236   0.73767381
 C  -2.18047327   0.88395957   1.13558053
 C  -1.44081696  -0.07470462   1.85447928
 C  -0.40099801   0.33174994   2.68691182
 C  -0.09107744   1.69742660   2.80021943
 C  -0.83969421   2.65717119   2.09757969
 C  -1.89087415   2.25243288   1.27526294
 H   0.28668185  -3.81014715  -1.89199503
 H  -1.80859247  -3.98859974  -3.18998360
 H  -3.26284940  -2.00046013  -3.57125181
 H  -2.60827460   0.20213801  -2.59857717
 H   1.37727042  -2.33853306   0.11278022
 H   2.19236902  -1.87382812  -1.35912959
 H  -1.03112536   1.55563808  -1.39272943
 H   0.62215509   1.49267742   0.52598742
 H   1.44438684   1.70718793  -0.95466258
 H  -3.03189919   0.56717936   0.52693786
 H  -1.70249000  -1.13355716   1.77477026
 H   0.17918204  -0.39782184   3.25801826
 H   0.73607636   2.01143130   3.44214033
 H  -0.59926631   3.71752613   2.20826604
 H  -2.49674204   2.99708043   0.75164268
 36
 Energy -2315.608383849 Gradient 0.00028365
 C  -0.34378058  -2.92697292  -2.02518139
 C  -1.53064346  -3.02862979  -2.76263808
 C  -2.35830500  -1.91092561  -2.97672852
 C  -1.99725475  -0.69214639  -2.43989795
 C  -0.79478156  -0.56647252  -1.67855093
 C   0.04428709  -1.71009264  -1.47582328
 C   1.32763631  -1.59845476  -0.70141976
 C  -0.42341594   0.68081441  -1.15834939
 C   0.84206905   0.94646897  -0.46342440
 C   1.67894081  -0.25309459  -0.12636722
 O   2.67777199  -0.17867594   0.59667213
Al   3.80876957   1.07831860   1.65089062
Cl   2.95831416   3.00440418   1.21782302
Cl   3.33949037   0.30743368   3.58227735
Cl   5.66776869   0.66560095   0.73430455
 C  -2.12996963   0.88647610   1.10280216
 C  -1.38680861  -0.07123403   1.82125925
 C  -0.36360425   0.33886361   2.67200833
 C  -0.07391010   1.70656126   2.80517310
 C  -0.82419123   2.66489395   2.10253509
 C  -1.85938027   2.25724080   1.26243382
 H   0.28108993  -3.81375524  -1.88714822
 H  -1.81480689  -3.99699098  -3.18354041
 H  -3.27394297  -2.01184062  -3.56284669
 H  -2.62252025   0.19210999  -2.59176436
 H   1.36353440  -2.33453896   0.12413311
 H   2.18274628  -1.88306988  -1.34972548
 H  -1.03935648   1.55234026  -1.40103859
 H   0.67391703   1.55300475   0.46098940
 H   1.45735098   1.66129110  -1.05761462
 H  -2.97470950   0.56648971   0.48676158
 H  -1.63441333  -1.13227855   1.72641608
 H   0.21857283  -0.38961545   3.24232597
 H   0.74002890   2.02378442   3.46202509
 H  -0.59868635   3.72678167   2.22852682
 H  -2.46802353   3.00044122   0.73995576
 36
 Energy -2315.608113122 Gradient 0.00035390
 C  -0.35196686  -2.93103253  -2.02382599
 C  -1.53846335  -3.03375031  -2.76159428
 C  -2.36867644  -1.91748040  -2.97204072
 C  -2.00959637  -0.69899567  -2.43272069
 C  -0.80620476  -0.57199135  -1.67385626
 C   0.03375518  -1.71439314  -1.47174448
 C   1.31405763  -1.60370640  -0.69136698
 C  -0.43169792   0.67824138  -1.15997292
 C   0.85409947   0.94925664  -0.49999288
 C   1.67316784  -0.25380605  -0.13140394
 O   2.66594409  -0.17790943   0.59979158
Al   3.79475586   1.07896921   1.65727629
Cl   2.93952280   3.00659225   1.24130976
Cl   3.33451036   0.29597063   3.58609997
Cl   5.65285659   0.67824998   0.73362030
 C  -2.07583617   0.88722357   1.07158256
 C  -1.33112860  -0.06880427   1.79261586
 C  -0.32557512   0.34536525   2.66188546
 C  -0.05583149   1.71480702   2.81294053
 C  -0.80619369   2.67109612   2.10786142
 C  -1.82366395   2.26013850   1.24900422
 H   0.27461025  -3.81680818  -1.88711507
 H  -1.82040096  -4.00167691  -3.18490291
 H  -3.28453576  -2.01868751  -3.55777136
 H  -2.63641381   0.18439508  -2.58351143
 H   1.33906217  -2.32972036   0.14350003
 H   2.17071397  -1.90310253  -1.33079049
 H  -1.04547978   1.54943501  -1.40825713
 H   0.73043688   1.60775220   0.39194844
 H   1.46916228   1.60664074  -1.15827448
 H  -2.91461512   0.56387116   0.44943701
 H  -1.56549425  -1.13168220   1.68487391
 H   0.25753846  -0.38127216   3.23342951
 H   0.74381953   2.03534422   3.48535791
 H  -0.59562528   3.73423933   2.24792102
 H  -2.43382520   3.00126259   0.72534732
 36
 Energy -2315.607796048 Gradient 0.00047454
 C  -0.35868290  -2.93285254  -2.02789888
 C  -1.54459879  -3.03582957  -2.76631949
 C  -2.37969556  -1.92184427  -2.96765416
 C  -2.02398455  -0.70484081  -2.42202564
 C  -0.81957646  -0.57726858  -1.66605768
 C   0.02203580  -1.71816171  -1.46749318
 C   1.29673182  -1.61053882  -0.67663532
 C  -0.44073521   0.67588620  -1.15784083
 C   0.86600024   0.94964449  -0.53543197
 C   1.66694622  -0.25576488  -0.13594522
 O   2.65523859  -0.17756944   0.60126254
Al   3.78048089   1.07956170   1.66115790
Cl   2.92194326   3.00958348   1.26087654
Cl   3.32592238   0.28873247   3.58845728
Cl   5.64000212   0.69021039   0.73586849
 C  -2.01780610   0.88545705   1.03968670
 C  -1.27568893  -0.06853671   1.76815450
 C  -0.29014184   0.34974603   2.65756371
 C  -0.03876148   1.72067983   2.82372068
 C  -0.78528576   2.67469519   2.11179926
 C  -1.78246548   2.26041576   1.23223460
 H   0.27121319  -3.81704261  -1.89615286
 H  -1.82246141  -4.00194764  -3.19631015
 H  -3.29604653  -2.02267879  -3.55269275
 H  -2.65352022   0.17728468  -2.56913836
 H   1.30236973  -2.32149043   0.17171481
 H   2.15628271  -1.93316949  -1.30023490
 H  -1.05001254   1.54757597  -1.41430743
 H   0.78689237   1.65449244   0.32262450
 H   1.47763580   1.54775611  -1.25180923
 H  -2.85115217   0.55895654   0.41224144
 H  -1.49815507  -1.13285973   1.64949094
 H   0.29110437  -0.37464369   3.23362251
 H   0.74493148   2.04430933   3.51307404
 H  -0.58816850   3.73875188   2.26354707
 H  -2.39105064   2.99919760   0.70342056
 36
 Energy -2315.60738356 Gradient 0.00066327
 C  -0.36220935  -2.93109610  -2.03700790
 C  -1.54730363  -3.03445935  -2.77621608
 C  -2.39096024  -1.92465767  -2.96179503
 C  -2.04163987  -0.71057490  -2.40452028
 C  -0.83624396  -0.58231347  -1.65211773
 C   0.00955944  -1.72011354  -1.46188495
 C   1.27787078  -1.61627183  -0.65924532
 C  -0.45386077   0.67405866  -1.14710155
 C   0.87540357   0.94911191  -0.56760351
 C   1.66036763  -0.25673804  -0.13955642
 O   2.64608948  -0.17519248   0.60108569
Al   3.76858129   1.08076193   1.66318870
Cl   2.90713279   3.01317725   1.27675222
Cl   3.31588706   0.28482235   3.58931723
Cl   5.63041958   0.69954989   0.73979715
 C  -1.95670229   0.88023504   1.00294369
 C  -1.22250087  -0.07148471   1.74494680
 C  -0.26147652   0.35109315   2.65788820
 C  -0.02766616   1.72351956   2.83700855
 C  -0.76525459   2.67510552   2.11285826
 C  -1.73781303   2.25745183   1.20919512
 H   0.27406210  -3.81214695  -1.91502868
 H  -1.81809848  -3.99718740  -3.21802178
 H  -3.30805570  -2.02492280  -3.54578048
 H  -2.67658286   0.16895936  -2.54387506
 H   1.26064226  -2.30927892   0.20393084
 H   2.14032259  -1.96535143  -1.26367269
 H  -1.05649952   1.54628455  -1.41578993
 H   0.84330371   1.69589014   0.25458912
 H   1.47816067   1.48574975  -1.33882310
 H  -2.78576851   0.55094246   0.37178415
 H  -1.43375318  -1.13699268   1.61659538
 H   0.31407205  -0.37068705   3.24260183
 H   0.73682877   2.05028679   3.54609361
 H  -0.58078067   3.73986437   2.27468958
 H  -2.34131583   2.99378214   0.67117137
 36
 Energy -2315.60682689 Gradient 0.00088626
 C  -0.36293799  -2.92585526  -2.04780026
 C  -1.54603841  -3.02999302  -2.78925872
 C  -2.40037132  -1.92596790  -2.95552417
 C  -2.06107387  -0.71635565  -2.38101091
 C  -0.85631812  -0.58729249  -1.63067745
 C  -0.00372414  -1.71986021  -1.45315406
 C   1.26047352  -1.61874666  -0.64263707
 C  -0.47364231   0.67275097  -1.12287308
 C   0.87887773   0.94861678  -0.59020919
 C   1.65287879  -0.25579794  -0.14029107
 O   2.63868872  -0.17109426   0.60041521
Al   3.75995817   1.08140625   1.66271269
Cl   2.89593598   3.01643827   1.28999202
Cl   3.30647999   0.28393164   3.58877621
Cl   5.62486220   0.70580403   0.74370979
 C  -1.89366359   0.87235207   0.95848133
 C  -1.17281046  -0.07726842   1.71971219
 C  -0.24141709   0.34947648   2.65950579
 C  -0.02527962   1.72350489   2.85059047
 C  -0.74924613   2.67306608   2.11010606
 C  -1.69223063   2.25228295   1.17903941
 H   0.28269327  -3.80183825  -1.93902977
 H  -1.80671464  -3.98786766  -3.24721593
 H  -3.31711790  -2.02525036  -3.54024831
 H  -2.70377062   0.15929254  -2.51005845
 H   1.22797701  -2.29746378   0.23162482
 H   2.12393742  -1.98732307  -1.23338783
 H  -1.06523983   1.54519358  -1.41328843
 H   0.89297605   1.73006409   0.19690348
 H   1.46573179   1.42669260  -1.41104561
 H  -2.72166440   0.54087809   0.32766032
 H  -1.37226834  -1.14379381   1.58131149
 H   0.32520696  -0.36944681   3.25602710
 H   0.71691262   2.05322441   3.58166989
 H  -0.57743603   3.73832117   2.28165404
 H  -2.28677011   2.98580727   0.62726187
 36
 Energy -2315.606081081 Gradient 0.00083341
 C  -0.36241664  -2.91835076  -2.05661432
 C  -1.54206396  -3.02417075  -2.80186391
 C  -2.40573979  -1.92601010  -2.95137232
 C  -2.07885816  -0.72170134  -2.35649495
 C  -0.87824899  -0.59211598  -1.60405573
 C  -0.01725403  -1.71731654  -1.44185101
 C   1.24665022  -1.61775188  -0.62940676
 C  -0.50185379   0.67228414  -1.08213239
 C   0.87532523   0.94867142  -0.60139711
 C   1.64445379  -0.25309476  -0.13814662
 O   2.63266346  -0.16566145   0.59999197
Al   3.75437676   1.08064095   1.66007478
Cl   2.88857482   3.01859440   1.30053609
Cl   3.29958868   0.28516755   3.58797678
Cl   5.62271298   0.70912012   0.74662354
 C  -1.82987604   0.86341150   0.90596363
 C  -1.12816392  -0.08462581   1.69245571
 C  -0.23001696   0.34567761   2.66029571
 C  -0.03093891   1.72147242   2.86201401
 C  -0.73913724   2.66998873   2.10444384
 C  -1.64853063   2.24685528   1.14426358
 H   0.29380581  -3.78797573  -1.96074920
 H  -1.79191520  -3.97695390  -3.27591017
 H  -3.32028988  -2.02336915  -3.53988419
 H  -2.73032509   0.14905364  -2.47557197
 H   1.21037927  -2.28918545   0.25036503
 H   2.10943468  -1.99476311  -1.21553698
 H  -1.07694704   1.54341317  -1.40680113
 H   0.93523634   1.75774959   0.15236156
 H   1.43859190   1.37210768  -1.46746616
 H  -2.66528919   0.53136246   0.28580516
 H  -1.31589345  -1.15184850   1.54356312
 H   0.32470372  -0.37036406   3.27098954
 H   0.68733605   2.05365699   3.61567058
 H  -0.58104739   3.73545887   2.28692849
 H  -2.23185048   2.97791199   0.57730934
 36
 Energy -2315.605140755 Gradient 0.00004023
 C  -0.36192951  -2.91037511  -2.06271863
 C  -1.53788481  -3.01915424  -2.81125721
 C  -2.40700226  -1.92522743  -2.94971500
 C  -2.09163873  -0.72575345  -2.33574670
 C  -0.89924839  -0.59650336  -1.57655847
 C  -0.02983596  -1.71294142  -1.43065706
 C   1.23693266  -1.61482932  -0.62094999
 C  -0.53787682   0.67329422  -1.02469337
 C   0.86689077   0.94895358  -0.60417038
 C   1.63648278  -0.24971668  -0.13513609
 O   2.62828294  -0.16019333   0.59933473
Al   3.75134843   1.07877626   1.65691173
Cl   2.88392447   3.01980164   1.30833878
Cl   3.29474296   0.28671930   3.58739248
Cl   5.62208533   0.71076440   0.74832243
 C  -1.76447168   0.85442714   0.84597403
 C  -1.08981753  -0.09219498   1.66685979
 C  -0.22559702   0.34096397   2.66063541
 C  -0.04051292   1.71883777   2.86946765
 C  -0.73547573   2.66749542   2.09844208
 C  -1.60938057   2.24287641   1.11020832
 H   0.30459431  -3.77331173  -1.97735734
 H  -1.77874639  -3.96792297  -3.29753321
 H  -3.31798553  -2.01948399  -3.54429279
 H  -2.75107957   0.14019173  -2.44787860
 H   1.20570773  -2.28478239   0.26010393
 H   2.09790848  -1.99189843  -1.20968273
 H  -1.08676643   1.54064370  -1.40183840
 H   0.97252434   1.77993857   0.11711180
 H   1.39868102   1.32018411  -1.51238062
 H  -2.62200782   0.52379742   0.25534311
 H  -1.26630975  -1.15990758   1.50791219
 H   0.31581591  -0.37222070   3.28623269
 H   0.65642671   2.05259624   3.64247945
 H  -0.59247450   3.73279506   2.29327870
 H  -2.18076210   2.97162303   0.52811426
 36
 Energy -2315.604638692  ZPE 0.262708  G(298.15) 131.81
 C  -0.36185357  -2.90307868  -2.06713988
 C  -1.53468886  -3.01569046  -2.81749402
 C  -2.40606136  -1.92435803  -2.94901463
 C  -2.09967675  -0.72848737  -2.31925914
 C  -0.91760063  -0.60033848  -1.55150535
 C  -0.04068374  -1.70752897  -1.42154094
 C   1.23001634  -1.61130839  -0.61567858
 C  -0.57880970   0.67678011  -0.95549188
 C   0.85675675   0.94930278  -0.60246636
 C   1.62965944  -0.24638500  -0.13263871
 O   2.62516717  -0.15578863   0.59888614
Al   3.74877132   1.07586153   1.65298502
Cl   2.88070373   3.02049324   1.31396478
Cl   3.29071733   0.28797484   3.58696980
Cl   5.62213380   0.71205184   0.74959485
 C  -1.69638751   0.84567426   0.77938200
 C  -1.05758259  -0.09923527   1.64578752
 C  -0.22641745   0.33599013   2.66217688
 C  -0.04968074   1.71655200   2.87341457
 C  -0.73676553   2.66622434   2.09411431
 C  -1.57517579   2.24089790   1.08055782
 H   0.31356489  -3.75989976  -1.98908884
 H  -1.76932294  -3.96177512  -3.31160478
 H  -3.31376491  -2.01488183  -3.54927165
 H  -2.76616408   0.13300386  -2.42685090
 H   1.20657373  -2.28175514   0.26523636
 H   2.08906043  -1.98553638  -1.20907885
 H  -1.09061326   1.53615975  -1.40093765
 H   1.00574841   1.79651527   0.08906693
 H   1.35287414   1.27349709  -1.54668496
 H  -2.59291278   0.52034720   0.24329181
 H  -1.22379347  -1.16745542   1.47852808
 H   0.29991165  -0.37406820   3.30386949
 H   0.63116907   2.05138658   3.66062900
 H  -0.61027988   3.73091166   2.30279867
 H  -2.13459266   2.96794674   0.48449309
 36
 Energy -2315.605349171 Gradient 0.00004023
 C  -0.36191324  -2.89670132  -2.07110235
 C  -1.53193743  -3.01324710  -2.82266715
 C  -2.40486387  -1.92404745  -2.94829713
 C  -2.10620082  -0.73126193  -2.30451363
 C  -0.93420472  -0.60433884  -1.52899873
 C  -0.05017738  -1.70217016  -1.41427950
 C   1.22434358  -1.60780054  -0.61198710
 C  -0.62089166   0.68203794  -0.88441164
 C   0.84596637   0.94926439  -0.60147412
 C   1.62310318  -0.24298039  -0.13113543
 O   2.62196128  -0.15150071   0.59856429
Al   3.74619380   1.07247162   1.64858118
Cl   2.87746916   3.02099746   1.31915119
Cl   3.28715274   0.28924041   3.58662063
Cl   5.62238155   0.71326575   0.75090128
 C  -1.62540426   0.83721411   0.70936374
 C  -1.02766666  -0.10570595   1.62798263
 C  -0.23027641   0.33068855   2.66522969
 C  -0.05761624   1.71445645   2.87608381
 C  -0.74063100   2.66583016   2.09185165
 C  -1.54219259   2.24055348   1.05414847
 H   0.32130552  -3.74793786  -1.99861451
 H  -1.76132578  -3.95707139  -3.32316621
 H  -3.30974851  -2.01093456  -3.55347547
 H  -2.77908364   0.12614204  -2.40834471
 H   1.20938997  -2.27933739   0.26828409
 H   2.08192753  -1.97830364  -1.21001380
 H  -1.08981724   1.52800312  -1.40283694
 H   1.03382459   1.80961687   0.06171804
 H   1.30665005   1.23021222  -1.57510772
 H  -2.57181352   0.52142126   0.25176177
 H  -1.18288173  -1.17464610   1.45304398
 H   0.27934663  -0.37627062   3.32352617
 H   0.61146853   2.04982491   3.67371275
 H  -0.63114347   3.72943631   2.31496889
 H  -2.08748773   2.96678869   0.44350473
 36
 Energy -2315.606553552 Gradient 0.00129513
 C  -0.36094295  -2.89171164  -2.07679137
 C  -1.52793639  -3.01137529  -2.83071150
 C  -2.40697891  -1.92694374  -2.94508726
 C  -2.11826211  -0.73829777  -2.28598980
 C  -0.95151319  -0.61088798  -1.50870222
 C  -0.06000832  -1.69947820  -1.40794246
 C   1.21743991  -1.60459658  -0.60883646
 C  -0.65188696   0.68522722  -0.83740894
 C   0.83808502   0.94804452  -0.61390407
 C   1.61554090  -0.23878772  -0.13337749
 O   2.61511187  -0.14544771   0.59755630
Al   3.74083832   1.06852770   1.64327019
Cl   2.87091415   3.02136356   1.32768869
Cl   3.28031182   0.29095479   3.58559160
Cl   5.62151722   0.71551602   0.75327299
 C  -1.55283379   0.83322292   0.65276717
 C  -0.98873114  -0.11062300   1.61028014
 C  -0.23364068   0.32577478   2.67412358
 C  -0.06729543   1.71239355   2.88714162
 C  -0.73908386   2.66691427   2.09414913
 C  -1.49580864   2.24339153   1.02722372
 H   0.33069673  -3.73685329  -2.01184643
 H  -1.74906762  -3.95117315  -3.34215008
 H  -3.30966422  -2.01177443  -3.55395406
 H  -2.79818732   0.11451140  -2.38417995
 H   1.21056246  -2.27601344   0.27165557
 H   2.07398556  -1.97203382  -1.21048667
 H  -1.09021775   1.51577618  -1.40975335
 H   1.05551095   1.82342371   0.01903926
 H   1.27056237   1.18514930  -1.61044687
 H  -2.54291524   0.53069382   0.27420119
 H  -1.13034618  -1.17989721   1.42424604
 H   0.25715966  -0.37857670   3.34933314
 H   0.58500450   2.04752947   3.69909940
 H  -0.64377234   3.72917029   2.32981551
 H  -2.01702135   2.96967361   0.39524334
 36
 Energy -2315.607115609 Gradient 0.00086411
 C  -0.35978586  -2.89306812  -2.08676175
 C  -1.52778330  -3.01488337  -2.83802347
 C  -2.41765104  -1.93785658  -2.93492631
 C  -2.13436081  -0.75178269  -2.26798775
 C  -0.96182347  -0.61989174  -1.50209853
 C  -0.06485804  -1.70323155  -1.41034395
 C   1.21425250  -1.60552466  -0.61369688
 C  -0.65522244   0.68396301  -0.83907853
 C   0.84405991   0.94412902  -0.65267377
 C   1.61337367  -0.23697488  -0.14786048
 O   2.60490644  -0.13980761   0.59396461
Al   3.72963286   1.06794763   1.64062192
Cl   2.85688143   3.02228427   1.34012485
Cl   3.26650362   0.29137136   3.58383241
Cl   5.61503243   0.72019418   0.75792688
 C  -1.49689551   0.84188832   0.63371719
 C  -0.94902591  -0.10675337   1.60185533
 C  -0.23035719   0.32474826   2.69101024
 C  -0.07286243   1.71132402   2.91544321
 C  -0.71801927   2.67125583   2.10638836
 C  -1.43833208   2.25394929   1.01383191
 H   0.33866231  -3.73323760  -2.03071446
 H  -1.74240159  -3.95067683  -3.35939822
 H  -3.32364265  -2.02486139  -3.53859187
 H  -2.82107011   0.09668098  -2.35704226
 H   1.21068767  -2.27326923   0.26944272
 H   2.06949925  -1.97452890  -1.21648591
 H  -1.09180768   1.50604503  -1.42628136
 H   1.07750822   1.83461583  -0.04702227
 H   1.26127564   1.14221682  -1.66360052
 H  -2.50816350   0.55198359   0.29601380
 H  -1.08229046  -1.17521402   1.40481891
 H   0.24187022  -0.38187546   3.37683969
 H   0.55356253   2.04269925   3.74909201
 H  -0.62592841   3.73223347   2.34882341
 H  -1.93330427   2.98385563   0.36493204
 36
 Energy -2315.607492889 Gradient 0.00047046
 C  -0.36153107  -2.89877359  -2.09633461
 C  -1.53773716  -3.02379486  -2.83389089
 C  -2.43398777  -1.95105120  -2.91577632
 C  -2.14587163  -0.76396733  -2.25214598
 C  -0.96307302  -0.62711221  -1.50330325
 C  -0.06266007  -1.70860104  -1.42157105
 C   1.22230326  -1.60880788  -0.63396945
 C  -0.64580228   0.68255526  -0.85225492
 C   0.85950196   0.93841085  -0.69701078
 C   1.61995939  -0.23878550  -0.17127837
 O   2.59847756  -0.13867194   0.58734427
Al   3.71355418   1.07039442   1.64157084
Cl   2.83717927   3.02419589   1.35163546
Cl   3.24660972   0.28824804   3.58220092
Cl   5.60272758   0.72850046   0.76486117
 C  -1.45095001   0.85783902   0.62659756
 C  -0.92044862  -0.09815312   1.59929199
 C  -0.22539556   0.32333275   2.70724093
 C  -0.06575311   1.70771058   2.94343130
 C  -0.68186186   2.67615578   2.12186602
 C  -1.37951938   2.26960457   1.01107330
 H   0.34029106  -3.73670352  -2.04915880
 H  -1.75443670  -3.95919023  -3.35511452
 H  -3.34810334  -2.04120127  -3.50661386
 H  -2.83665454   0.08207453  -2.33262677
 H   1.22777043  -2.27791957   0.24787379
 H   2.07425834  -1.97328935  -1.24457667
 H  -1.08690372   1.50028961  -1.44272300
 H   1.10574045   1.83998676  -0.11328333
 H   1.26231639   1.10537589  -1.71899424
 H  -2.47480982   0.58361664   0.30953824
 H  -1.05514953  -1.16495468   1.39404601
 H   0.22724852  -0.39005824   3.39902181
 H   0.54050978   2.03101955   3.79489208
 H  -0.58489179   3.73541768   2.36955743
 H  -1.85198750   3.00694847   0.35379040
 36
 Energy -2315.607762813 Gradient 0.00032928
 C  -0.36706724  -2.90385330  -2.09942267
 C  -1.55495669  -3.03267865  -2.81706122
 C  -2.45375863  -1.96127571  -2.88669683
 C  -2.15569439  -0.77155651  -2.23196393
 C  -0.96085735  -0.63046450  -1.50374596
 C  -0.05852467  -1.71093608  -1.43340783
 C   1.23887201  -1.60884600  -0.66573368
 C  -0.63354634   0.68403663  -0.86328204
 C   0.87629366   0.93500694  -0.73239486
 C   1.63041617  -0.24038763  -0.19488970
 O   2.59616241  -0.14020083   0.58024988
Al   3.69675981   1.07224568   1.64364478
Cl   2.81804834   3.02580415   1.36009938
Cl   3.22337368   0.28329975   3.58073625
Cl   5.59101817   0.74042430   0.77474157
 C  -1.40929266   0.87283361   0.61578108
 C  -0.89866951  -0.09312408   1.59116554
 C  -0.22278998   0.31579740   2.71509106
 C  -0.05413687   1.69735940   2.96172106
 C  -0.64280555   2.67659273   2.13261013
 C  -1.32259507   2.28330613   1.00646730
 H   0.33609920  -3.74108949  -2.06072797
 H  -1.77911313  -3.96984232  -3.33188349
 H  -3.37778005  -2.05420742  -3.46150007
 H  -2.84876320   0.07340577  -2.30418805
 H   1.26787535  -2.29019006   0.20575952
 H   2.08342620  -1.95393040  -1.29826406
 H  -1.07636911   1.49818752  -1.45792756
 H   1.13249875   1.84309124  -0.16339544
 H   1.26680116   1.08131538  -1.76196244
 H  -2.44443224   0.61655149   0.31592589
 H  -1.03782697  -1.15763175   1.37682992
 H   0.20973013  -0.40574095   3.41111926
 H   0.53818085   2.01021393   3.82675266
 H  -0.53715139   3.73352032   2.38642345
 H  -1.77274975   3.02934091   0.34327756
 36
 Energy -2315.607968642 Gradient 0.00023984
 C  -0.37462781  -2.90829736  -2.09725908
 C  -1.57621089  -3.04231299  -2.79051596
 C  -2.47638138  -1.97148893  -2.84967190
 C  -2.16527129  -0.77696298  -2.20967785
 C  -0.95644986  -0.63034758  -1.50632832
 C  -0.05319398  -1.71048680  -1.44588440
 C   1.25899209  -1.60506498  -0.70294190
 C  -0.61931931   0.68846138  -0.87708019
 C   0.89373780   0.93527757  -0.76465813
 C   1.64288417  -0.23943551  -0.21951060
 O   2.59602343  -0.14048675   0.57151800
Al   3.68298375   1.07456279   1.64582112
Cl   2.80405377   3.02793413   1.36533311
Cl   3.19815535   0.27826805   3.57800942
Cl   5.58406078   0.75271397   0.78890371
 C  -1.37437974   0.88656064   0.60345162
 C  -0.88343560  -0.09158791   1.57799205
 C  -0.22503495   0.30213669   2.71730594
 C  -0.04725086   1.68005841   2.97728515
 C  -0.60758112   2.67170506   2.14326595
 C  -1.27211118   2.29413982   1.00290401
 H   0.32909879  -3.74537037  -2.06545772
 H  -1.81042470  -3.98318432  -3.29397580
 H  -3.41187086  -2.06857679  -3.40490887
 H  -2.85999910   0.06732197  -2.27422919
 H   1.31686868  -2.30221572   0.15389705
 H   2.09350420  -1.92459279  -1.36248824
 H  -1.06377367   1.50014499  -1.47424749
 H   1.15728142   1.84740092  -0.20573760
 H   1.27432978   1.06739842  -1.79956305
 H  -2.41769341   0.64807484   0.31358054
 H  -1.02711508  -1.15310734   1.35186019
 H   0.18797535  -0.42904233   3.41497628
 H   0.53136537   1.98060792   3.85577102
 H  -0.49221848   3.72557995   2.40513404
 H  -1.70134861   3.05004675   0.33699481
 36
 Energy -2315.608135883 Gradient 0.00017666
 C  -0.38216203  -2.91128918  -2.09187452
 C  -1.59717754  -3.05111537  -2.75991397
 C  -2.49794345  -1.98046402  -2.81086829
 C  -2.17385304  -0.78042247  -2.18768147
 C  -0.95193049  -0.62809119  -1.50896405
 C  -0.04782245  -1.70780346  -1.45720365
 C   1.27836810  -1.59834943  -0.73885994
 C  -0.60675783   0.69458258  -0.88956202
 C   0.90885114   0.93875450  -0.79368441
 C   1.65572265  -0.23526285  -0.24455661
 O   2.59923070  -0.13733215   0.55828386
Al   3.67259586   1.07874584   1.64530996
Cl   2.79804182   3.03253183   1.36344638
Cl   3.16948541   0.27649539   3.57176776
Cl   5.58307879   0.76014880   0.80895582
 C  -1.34310152   0.89796403   0.59094158
 C  -0.87414324  -0.09450889   1.56288259
 C  -0.23592824   0.28146570   2.71920969
 C  -0.04907266   1.65492731   2.99568032
 C  -0.57815102   2.66070361   2.15813184
 C  -1.22564475   2.30143699   1.00225237
 H   0.32136445  -3.74866646  -2.06602319
 H  -1.84169795  -3.99649983  -3.24982358
 H  -3.44441097  -2.08205564  -3.34636023
 H  -2.86989204   0.06332759  -2.24577958
 H   1.36306354  -2.30842943   0.10451228
 H   2.10217352  -1.89502908  -1.42275915
 H  -1.05305737   1.50404694  -1.48873634
 H   1.17839322   1.85376517  -0.24253897
 H   1.27959848   1.06063586  -1.83313376
 H  -2.39406678   0.67832761   0.30975392
 H  -1.02203362  -1.15227788   1.32218469
 H   0.15525611  -0.46079062   3.41763494
 H   0.51370004   1.94117625   3.88904910
 H  -0.45317276   3.71075099   2.43053613
 H  -1.63253689   3.06837852   0.33486883
 36
 Energy -2315.608246343 Gradient 0.00013974
 C  -0.38800058  -2.91205817  -2.08616202
 C  -1.61349660  -3.05693785  -2.73356515
 C  -2.51488412  -1.98659339  -2.77801177
 C  -2.18075908  -0.78188238  -2.16904406
 C  -0.94850504  -0.62456537  -1.51074859
 C  -0.04374927  -1.70390360  -1.46564989
 C   1.29345130  -1.59091117  -0.76753380
 C  -0.59700030   0.70102353  -0.89902461
 C   0.92043108   0.94368347  -0.81749732
 C   1.66636900  -0.22958071  -0.26612541
 O   2.60313332  -0.13218371   0.54476722
Al   3.66547872   1.08572752   1.64141532
Cl   2.80110899   3.04098984   1.34916108
Cl   3.13783480   0.28226247   3.56273792
Cl   5.58639750   0.76147200   0.83214830
 C  -1.31732114   0.90647112   0.58287805
 C  -0.87237821  -0.10279172   1.54975072
 C  -0.25440009   0.25219013   2.72328483
 C  -0.05713238   1.61989732   3.01978244
 C  -0.55156054   2.64191624   2.18066861
 C  -1.18211949   2.30422786   1.00892583
 H   0.31598641  -3.74924288  -2.06452293
 H  -1.86590457  -4.00605907  -3.21211295
 H  -3.46998632  -2.09210386  -3.29716780
 H  -2.87797989   0.06127909  -2.22194268
 H   1.39861595  -2.30954996   0.06585159
 H   2.10774069  -1.87114455  -1.46991816
 H  -1.04592676   1.50911000  -1.49840375
 H   1.19498334   1.86071705  -0.27230158
 H   1.28258450   1.05844317  -1.86058092
 H  -2.37511514   0.70789700   0.30767821
 H  -1.02635475  -1.15581414   1.29268463
 H   0.11302819  -0.50305955   3.42060913
 H   0.48792358   1.88919465   3.92911609
 H  -0.41551005   3.68715660   2.46568319
 H  -1.56505239   3.08402680   0.34219753
 36
 Energy -2315.608376245 Gradient 0.00013251
 C  -0.39192202  -2.91069575  -2.08262345
 C  -1.62429338  -3.05870412  -2.71610449
 C  -2.52607086  -1.98861490  -2.75568296
 C  -2.18556932  -0.78110813  -2.15554015
 C  -0.94676593  -0.62082596  -1.51071799
 C  -0.04136539  -1.69978606  -1.47097058
 C   1.30297271  -1.58482905  -0.78611826
 C  -0.59091206   0.70632998  -0.90297163
 C   0.92789342   0.94780291  -0.83433819
 C   1.67366951  -0.22442348  -0.28128402
 O   2.60655164  -0.12671610   0.53422164
Al   3.66062357   1.09520820   1.63436660
Cl   2.81070861   3.05239126   1.32449172
Cl   3.10584390   0.29826310   3.55330758
Cl   5.59114404   0.75739605   0.85461528
 C  -1.29681019   0.91091918   0.58017892
 C  -0.87650520  -0.11616430   1.54025063
 C  -0.27679154   0.21618442   2.72943990
 C  -0.06625638   1.57727284   3.04669230
 C  -0.52515743   2.61619846   2.20840142
 C  -1.14186767   2.30181696   1.02257278
 H   0.31235905  -3.74773088  -2.06450030
 H  -1.88177050  -4.01004264  -3.18747774
 H  -3.48675202  -2.09642547  -3.26397313
 H  -2.88365198   0.06161397  -2.20451480
 H   1.42085225  -2.30827785   0.04114361
 H   2.11057159  -1.85535042  -1.50016356
 H  -1.04232236   1.51396874  -1.50132250
 H   1.20698509   1.86687390  -0.29496282
 H   1.28206148   1.05609194  -1.88068511
 H  -2.36072020   0.73479097   0.30974887
 H  -1.03873269  -1.16374107   1.26667562
 H   0.06590845  -0.55279669   3.42431792
 H   0.46129008   1.82812227   3.97131148
 H  -0.37645706   3.65596907   2.50663965
 H  -1.50112326   3.09531516   0.35877701
 36
 Energy -2315.608560414 Gradient 0.00015510
 C  -0.39516973  -2.90851222  -2.08122819
 C  -1.63167616  -3.05758067  -2.70637081
 C  -2.53350310  -1.98755989  -2.74187156
 C  -2.18883532  -0.77877040  -2.14634928
 C  -0.94592220  -0.61736490  -1.51015915
 C  -0.04050406  -1.69642763  -1.47423189
 C   1.30794834  -1.58102643  -0.79689499
 C  -0.58626693   0.71041157  -0.90429818
 C   0.93374808   0.95030945  -0.84791840
 C   1.67880739  -0.22071336  -0.29244011
 O   2.60953662  -0.12243207   0.52574993
Al   3.65636558   1.10541698   1.62566694
Cl   2.82192537   3.06406313   1.29493739
Cl   3.07537728   0.32179072   3.54495173
Cl   5.59566620   0.75006266   0.87660465
 C  -1.27796616   0.91304558   0.58079401
 C  -0.88185612  -0.13129070   1.53357803
 C  -0.29935858   0.17858870   2.73694497
 C  -0.07593903   1.53260207   3.07506799
 C  -0.50000622   2.58794562   2.23827521
 C  -1.10230027   2.29667116   1.03930005
 H   0.30899300  -3.74570171  -2.06587490
 H  -1.89230838  -4.00977248  -3.17428515
 H  -3.49764562  -2.09624875  -3.24338083
 H  -2.88722236   0.06387410  -2.19221852
 H   1.43170686  -2.30568248   0.02829752
 H   2.11154671  -1.84858857  -1.51664436
 H  -1.03984249   1.51842747  -1.50070428
 H   1.21739562   1.87158144  -0.31477550
 H   1.28063338   1.05178695  -1.89724580
 H  -2.34774251   0.75970469   0.31620720
 H  -1.05337211  -1.17312380   1.24439345
 H   0.01894264  -0.60375448   3.42854691
 H   0.43262767   1.76564649   4.01456098
 H  -0.33842225   3.62191592   2.54939042
 H  -1.43820471   3.10326111   0.37897174
 36
 Energy -2315.608802187 Gradient 0.00020247
 C  -0.39808217  -2.90577586  -2.08096499
 C  -1.63763323  -3.05526078  -2.70000013
 C  -2.53914163  -1.98506409  -2.73201087
 C  -2.19132394  -0.77555226  -2.13925854
 C  -0.94559102  -0.61381902  -1.50914851
 C  -0.04035120  -1.69316009  -1.47685764
 C   1.31116450  -1.57829304  -0.80483869
 C  -0.58214081   0.71415002  -0.90387103
 C   0.93919807   0.95183125  -0.86068821
 C   1.68316916  -0.21785737  -0.30206265
 O   2.61160774  -0.11852974   0.51890721
Al   3.65225300   1.11506403   1.61699157
Cl   2.83278187   3.07503958   1.26402285
Cl   3.04578937   0.34827000   3.53755307
Cl   5.59924852   0.74222499   0.89768703
 C  -1.25844559   0.91440740   0.58246788
 C  -0.88683931  -0.14675342   1.52782404
 C  -0.32181114   0.14096709   2.74452664
 C  -0.08541009   1.48770361   3.10331156
 C  -0.47448907   2.55848356   2.26887583
 C  -1.06203830   2.29027596   1.05728778
 H   0.30601534  -3.74306523  -2.06805225
 H  -1.90072119  -4.00779212  -3.16581388
 H  -3.50581016  -2.09384700  -3.22863282
 H  -2.89044017   0.06665542  -2.18269387
 H   1.43833364  -2.30305342   0.01968112
 H   2.11164764  -1.84521481  -1.52835135
 H  -1.03746853   1.52283203  -1.49825757
 H   1.22805434   1.87559602  -0.33481508
 H   1.27818557   1.04523549  -1.91319919
 H  -2.33403523   0.78416329   0.32526512
 H  -1.06806412  -1.18247415   1.22323722
 H  -0.02818001  -0.65415251   3.43253016
 H   0.40277872   1.70333175   4.05737303
 H  -0.30040480   3.58641887   2.59287107
 H  -1.37378038   3.10966731   0.40082443
 36
 Energy -2315.609007836 Gradient 0.00022882
 C  -0.40126828  -2.90276318  -2.08149077
 C  -1.64354377  -3.05181243  -2.69524413
 C  -2.54463800  -1.98135584  -2.72350272
 C  -2.19364056  -0.77167261  -2.13259662
 C  -0.94528305  -0.61038480  -1.50803388
 C  -0.04043935  -1.69010775  -1.47930904
 C   1.31365666  -1.57600274  -0.81168079
 C  -0.57812902   0.71743964  -0.90299886
 C   0.94428983   0.95299740  -0.87285629
 C   1.68691445  -0.21536818  -0.31087899
 O   2.61312159  -0.11502791   0.51286410
Al   3.64775288   1.12460798   1.60802122
Cl   2.84377550   3.08572323   1.23292666
Cl   3.01630682   0.37655065   3.53027867
Cl   5.60175964   0.73389779   0.91854872
 C  -1.23977607   0.91479859   0.58578000
 C  -0.89242899  -0.16247727   1.52337087
 C  -0.34244216   0.10356713   2.75134465
 C  -0.09168333   1.44258884   3.12977893
 C  -0.44704182   2.52821536   2.29900897
 C  -1.02155456   2.28239188   1.07656613
 H   0.30238562  -3.74046004  -2.07127394
 H  -1.90892838  -4.00428264  -3.15989870
 H  -3.51351733  -2.08982922  -3.21587118
 H  -2.89189844   0.07131908  -2.17314648
 H   1.44337901  -2.30055032   0.01252625
 H   2.11147811  -1.84287624  -1.53817598
 H  -1.03579523   1.52705432  -1.49448801
 H   1.23815714   1.87927162  -0.35436414
 H   1.27547091   1.03848561  -1.92839287
 H  -2.32046256   0.80800456   0.33582800
 H  -1.08435170  -1.19204568   1.20492409
 H  -0.07307340  -0.70374360   3.43514256
 H   0.37658764   1.64102695   4.09713271
 H  -0.26004737   3.54977067   2.63548675
 H  -1.31061207   3.11389306   0.42490273
 36
 Energy -2315.609267978 Gradient 0.00024964
 C  -0.40519398  -2.89943978  -2.08246215
 C  -1.65002272  -3.04764481  -2.69136061
 C  -2.55027676  -1.97659285  -2.71595394
 C  -2.19605530  -0.76694925  -2.12638657
 C  -0.94545927  -0.60666931  -1.50657973
 C  -0.04128816  -1.68705009  -1.48164392
 C   1.31525845  -1.57435911  -0.81796584
 C  -0.57420676   0.72069609  -0.90107239
 C   0.94934053   0.95364182  -0.88484829
 C   1.69034491  -0.21354967  -0.31957579
 O   2.61432427  -0.11242343   0.50703996
Al   3.64268150   1.13375605   1.59902975
Cl   2.85426752   3.09593541   1.20122804
Cl   2.98775880   0.40576265   3.52339108
Cl   5.60342665   0.72583968   0.94024741
 C  -1.21988191   0.91472018   0.58934774
 C  -0.89602414  -0.17813622   1.51877923
 C  -0.36170078   0.06651751   2.75751213
 C  -0.09663598   1.39766944   3.15507575
 C  -0.41942690   2.49726254   2.32893517
 C  -0.98031237   2.27368762   1.09610953
 H   0.29796699  -3.73760456  -2.07499857
 H  -1.91782254  -3.99984078  -3.15516146
 H  -3.52120094  -2.08421841  -3.20449156
 H  -2.89378449   0.07658238  -2.16425374
 H   1.44672841  -2.29836186   0.00641828
 H   2.11056356  -1.84213384  -1.54695227
 H  -1.03380037   1.53145203  -1.48966733
 H   1.24858419   1.88228129  -0.37390788
 H   1.27234939   1.03104547  -1.94339662
 H  -2.30570216   0.83102898   0.34905913
 H  -1.09893923  -1.20113394   1.18644877
 H  -0.11625137  -0.75232787   3.43667377
 H   0.35126472   1.57980278   4.13490938
 H  -0.21996662   3.51218844   2.67799475
 H  -1.24631704   3.11681175   0.44952211
 36
 Energy -2315.60952493 Gradient 0.00026099
 C  -0.40929646  -2.89583158  -2.08374825
 C  -1.65658513  -3.04289192  -2.68790578
 C  -2.55601423  -1.97126992  -2.70846772
 C  -2.19854480  -0.76181871  -2.12000029
 C  -0.94550998  -0.60268115  -1.50531817
 C  -0.04218710  -1.68379416  -1.48417387
 C   1.31673780  -1.57261871  -0.82433000
 C  -0.56992099   0.72402709  -0.89933624
 C   0.95462924   0.95431347  -0.89728763
 C   1.69387659  -0.21163043  -0.32843795
 O   2.61533969  -0.10977390   0.50139783
Al   3.63770055   1.14256075   1.58996808
Cl   2.86363581   3.10521580   1.16986146
Cl   2.95875721   0.43577100   3.51627114
Cl   5.60477172   0.71805042   0.96260300
 C  -1.19996256   0.91396420   0.59384816
 C  -0.89852540  -0.19382685   1.51448458
 C  -0.37889784   0.02982573   2.76284580
 C  -0.10005351   1.35286775   3.17933522
 C  -0.39115086   2.46552537   2.35847408
 C  -0.93933257   2.26379217   1.11646447
 H   0.29314969  -3.73461278  -2.07912546
 H  -1.92680304  -3.99467150  -3.15117400
 H  -3.52898282  -2.07801868  -3.19311122
 H  -2.89587559   0.08214829  -2.15490805
 H   1.44972421  -2.29599402   0.00027076
 H   2.10949451  -1.84160482  -1.55564761
 H  -1.03180086   1.53616979  -1.48435813
 H   1.25920239   1.88541975  -0.39429323
 H   1.26906355   1.02313182  -1.95884167
 H  -2.29006887   0.85249352   0.36286209
 H  -1.11241341  -1.21013317   1.16889607
 H  -0.15684608  -0.79998583   3.43682372
 H   0.32655197   1.51928057   4.17109314
 H  -0.17936587   3.47361085   2.71972401
 H  -1.18354457   3.11797772   0.47578411
 36
 Energy -2315.609773843 Gradient 0.00025695
 C  -0.41327248  -2.89194835  -2.08562102
 C  -1.66317456  -3.03788414  -2.68478566
 C  -2.56178969  -1.96571121  -2.70100506
 C  -2.20105074  -0.75655024  -2.11343519
 C  -0.94569703  -0.59870267  -1.50369948
 C  -0.04306069  -1.68044487  -1.48694504
 C   1.31820770  -1.57095225  -0.83081768
 C  -0.56588980   0.72711471  -0.89671244
 C   0.95953673   0.95482954  -0.90942356
 C   1.69726382  -0.20983670  -0.33735075
 O   2.61618154  -0.10708790   0.49577069
Al   3.63234603   1.15142661   1.58103028
Cl   2.87297586   3.11421996   1.13816364
Cl   2.92947033   0.46614798   3.50882811
Cl   5.60553835   0.71038932   0.98638929
 C  -1.18017004   0.91249434   0.59882447
 C  -0.90070340  -0.20955718   1.51056821
 C  -0.39427472  -0.00628511   2.76719524
 C  -0.10115075   1.30843129   3.20170376
 C  -0.36262201   2.43338703   2.38716005
 C  -0.89871042   2.25289062   1.13694873
 H   0.28863814  -3.73121115  -2.08420882
 H  -1.93585613  -3.98917738  -3.14758690
 H  -3.53688379  -2.07145359  -3.18161581
 H  -2.89814424   0.08774196  -2.14501025
 H   1.45252032  -2.29368527  -0.00591515
 H   2.10859005  -1.84122381  -1.56431516
 H  -1.03007599   1.54086529  -1.47777757
 H   1.26961422   1.88833347  -0.41463637
 H   1.26471479   1.01510085  -1.97406136
 H  -2.27412733   0.87296882   0.37780606
 H  -1.12588349  -1.21888126   1.15213177
 H  -0.19468250  -0.84635964   3.43555929
 H   0.30504703   1.45986251   4.20411433
 H  -0.13886536   3.43443074   2.76053359
 H  -1.12180767   3.11750543   0.50259623
 36
 Energy -2315.609989494 Gradient 0.00023898
 C  -0.41756550  -2.88804549  -2.08794855
 C  -1.67023120  -3.03266874  -2.68179092
 C  -2.56812011  -1.96004434  -2.69312318
 C  -2.20402139  -0.75140216  -2.10616099
 C  -0.94602748  -0.59490655  -1.50201407
 C  -0.04400699  -1.67720064  -1.49008256
 C   1.32036520  -1.56889174  -0.83930238
 C  -0.56205418   0.72988866  -0.89394487
 C   0.96397372   0.95558629  -0.92124582
 C   1.70055416  -0.20798312  -0.34673479
 O   2.61674220  -0.10460366   0.48987310
Al   3.62635313   1.16012051   1.57201163
Cl   2.88237844   3.12277649   1.10546866
Cl   2.90110574   0.49712362   3.50168622
Cl   5.60564317   0.70272460   1.01242340
 C  -1.16085050   0.91022289   0.60457158
 C  -0.90140118  -0.22525199   1.50690558
 C  -0.40732542  -0.04167883   2.77090094
 C  -0.10092349   1.26477905   3.22271252
 C  -0.33462190   2.40109417   2.41498729
 C  -0.85950276   2.24104761   1.15764566
 H   0.28373128  -3.72782098  -2.09027746
 H  -1.94540588  -3.98334900  -3.14437360
 H  -3.54539806  -2.06477242  -3.16950037
 H  -2.90040824   0.09357459  -2.13376873
 H   1.45863592  -2.29251257  -0.01594169
 H   2.10743081  -1.83716792  -1.57713219
 H  -1.02901110   1.54525307  -1.47064022
 H   1.27907222   1.89111861  -0.43378802
 H   1.25998152   1.00873744  -1.98867062
 H  -2.25812551   0.89123411   0.39405915
 H  -1.13710386  -1.22767120   1.13611209
 H  -0.22875771  -0.89126990   3.43322084
 H   0.28492946   1.40205236   4.23491397
 H  -0.09935325   3.39503626   2.80000552
 H  -1.06313456   3.11529049   0.52995690
 36
 Energy -2315.610179756 Gradient 0.00021380
 C  -0.42166953  -2.88348821  -2.09138930
 C  -1.67755727  -3.02720993  -2.67878833
 C  -2.57506582  -1.95440974  -2.68433568
 C  -2.20749948  -0.74625593  -2.09810062
 C  -0.94662168  -0.59088800  -1.50020677
 C  -0.04474390  -1.67331266  -1.49430777
 C   1.32282801  -1.56620053  -0.84904069
 C  -0.55879305   0.73266315  -0.89050545
 C   0.96757157   0.95692868  -0.93253875
 C   1.70378659  -0.20559307  -0.35672917
 O   2.61731703  -0.10180304   0.48333684
Al   3.62045728   1.16863857   1.56308937
Cl   2.89211009   3.13063970   1.07173894
Cl   2.87333738   0.52862450   3.49455165
Cl   5.60547498   0.69426900   1.04091858
 C  -1.14234208   0.90691784   0.61079985
 C  -0.90078903  -0.24124236   1.50343549
 C  -0.41742400  -0.07640455   2.77355650
 C  -0.09905020   1.22195205   3.24206386
 C  -0.30854775   2.36885376   2.44216792
 C  -0.82293031   2.22818359   1.17863370
 H   0.27934701  -3.72348505  -2.09819371
 H  -1.95532507  -3.97732430  -3.14097871
 H  -3.55488076  -2.05830951  -3.15568205
 H  -2.90368184   0.09897910  -2.12121376
 H   1.46492643  -2.29082886  -0.02727254
 H   2.10648135  -1.83301338  -1.59111715
 H  -1.02884443   1.54974402  -1.46231780
 H   1.28735746   1.89427156  -0.45202446
 H   1.25402166   1.00364463  -2.00272562
 H  -2.24239190   0.90654868   0.41084154
 H  -1.14636731  -1.23680851   1.12093818
 H  -0.25762981  -0.93479737   3.42937766
 H   0.26768715   1.34590140   4.26286261
 H  -0.06326723   3.35580811   2.83876345
 H  -1.00904004   3.11138205   0.55815269
 36
 Energy -2315.610316869 Gradient 0.00016953
 C  -0.42562992  -2.87816500  -2.09629703
 C  -1.68499266  -3.02125000  -2.67653189
 C  -2.58280726  -1.94887068  -2.67482346
 C  -2.21214014  -0.74139839  -2.08877893
 C  -0.94796012  -0.58681156  -1.49818450
 C  -0.04571327  -1.66887765  -1.49935614
 C   1.32527383  -1.56248886  -0.86028221
 C  -0.55666171   0.73524421  -0.88628656
 C   0.96978760   0.95920023  -0.94310119
 C   1.70659714  -0.20239607  -0.36726399
 O   2.61821443  -0.09851660   0.47548442
Al   3.61488477   1.17696119   1.55375134
Cl   2.90324302   3.13795156   1.03705327
Cl   2.84659745   0.56049997   3.48707283
Cl   5.60531998   0.68482065   1.07207267
 C  -1.12528285   0.90191028   0.61824287
 C  -0.89801771  -0.25789718   1.50074684
 C  -0.42370945  -0.11044354   2.77585758
 C  -0.09587940   1.18041454   3.26013832
 C  -0.28561437   2.33699891   2.46865377
 C  -0.79078719   2.21419801   1.20007876
 H   0.27550431  -3.71800832  -2.10859547
 H  -1.96508856  -3.97061383  -3.13884885
 H  -3.56541814  -2.05232502  -3.14041592
 H  -2.90866301   0.10367615  -2.10613661
 H   1.47201286  -2.28880133  -0.04087975
 H   2.10531678  -1.82645196  -1.60719588
 H  -1.03065583   1.55412448  -1.45233208
 H   1.29369213   1.89807056  -0.46864019
 H   1.24642643   1.00085270  -2.01590992
 H  -2.22772797   0.91722853   0.42926842
 H  -1.15185193  -1.24701626   1.10713312
 H  -0.27959114  -0.97678496   3.42486440
 H   0.25278967   1.29219122   4.28849418
 H  -0.03240176   3.31739234   2.87641712
 H  -0.96267784   3.10544336   0.58708577
 36
 Energy -2315.610395595 Gradient 0.00011186
 C  -0.42851089  -2.87081702  -2.10470557
 C  -1.69201204  -3.01437560  -2.67587107
 C  -2.59169028  -1.94355579  -2.66396488
 C  -2.21854740  -0.73724015  -2.07707916
 C  -0.95041821  -0.58238402  -1.49551687
 C  -0.04628364  -1.66269075  -1.50679737
 C   1.32912261  -1.55596209  -0.87632628
 C  -0.55742800   0.73777863  -0.87976693
 C   0.96849390   0.96405617  -0.94935079
 C   1.70879793  -0.19729829  -0.37844330
 O   2.61971951  -0.09444583   0.46581518
Al   3.61090540   1.18491663   1.54383547
Cl   2.91801791   3.14472547   1.00125838
Cl   2.82190476   0.59112111   3.47847947
Cl   5.60593287   0.67238999   1.10650989
 C  -1.11322263   0.89445038   0.62780997
 C  -0.89360974  -0.27552740   1.49986918
 C  -0.42477254  -0.14313571   2.77815003
 C  -0.09150000   1.14155461   3.27667634
 C  -0.26955648   2.30669729   2.49431304
 C  -0.76875457   2.19909674   1.22256612
 H   0.27391609  -3.70943783  -2.12482135
 H  -1.97388623  -3.96277216  -3.13909183
 H  -3.57766344  -2.04731576  -3.12233873
 H  -2.91658196   0.10671872  -2.08634426
 H   1.48392051  -2.28660767  -0.06236502
 H   2.10460009  -1.81245081  -1.63065761
 H  -1.03617391   1.55854423  -1.43911269
 H   1.29465380   1.90325255  -0.47741203
 H   1.23583006   1.00562898  -2.02442281
 H  -2.21757574   0.91990913   0.44871023
 H  -1.15270838  -1.25919203   1.09619663
 H  -0.29031609  -1.01642496   3.41994145
 H   0.24248868   1.24288670   4.31085556
 H  -0.01185714   3.28156465   2.91247540
 H  -0.93201566   3.09724538   0.61740620
