 23
 Energy -2083.296101736 Gradient 0.00000662
 C  -0.53904143  -1.91834774  -1.84130577
 C  -1.82542777  -2.27329945  -2.19028065
 C  -2.93450225  -1.58078007  -1.64861521
 C  -2.73987978  -0.54149545  -0.76329249
 C  -1.43043991  -0.14901245  -0.38092805
 C  -0.30537761  -0.85271780  -0.93299946
 C   1.00512915  -0.46451309  -0.54656271
 C  -1.19418209   0.91580894   0.52880571
 C   0.08317748   1.28598232   0.88729207
 C   1.16625849   0.57551971   0.33425146
 O   2.46440638   0.98992918   0.72157475
Al   3.20731016   1.62319456   2.47023017
Cl   2.64286633   3.67340015   2.54951002
Cl   2.28770889   0.33888100   3.89286215
Cl   5.21777996   1.16244874   1.88250761
 H   0.31702959  -2.45542242  -2.26001994
 H  -1.99234907  -3.09602386  -2.89022130
 H  -3.94741717  -1.87438559  -1.93504440
 H  -3.59381596  -0.00379906  -0.34099645
 H   1.86787463  -1.00442656  -0.95095417
 H   3.17006152   0.52826259   0.21610985
 H  -2.04918283   1.45290477   0.94873985
 H   0.26926185   2.11236248   1.57809328
 23
 Energy -2083.296097448 Gradient 0.00001259
 C  -0.53117155  -1.93120775  -1.82478165
 C  -1.81668074  -2.29034158  -2.17271859
 C  -2.92712772  -1.59190066  -1.64157576
 C  -2.73477027  -0.54264833  -0.76761487
 C  -1.42627168  -0.14569557  -0.38659794
 C  -0.29979082  -0.85534452  -0.92807960
 C   1.00977866  -0.46280908  -0.54268799
 C  -1.19239411   0.92914836   0.51188116
 C   0.08405576   1.30353097   0.86922320
 C   1.16854106   0.58708734   0.32670821
 O   2.46567724   1.00621333   0.71330575
Al   3.20330212   1.62344216   2.47035234
Cl   2.63459790   3.67167678   2.56880133
Cl   2.28210567   0.32221499   3.87648424
Cl   5.21640194   1.17220341   1.88416556
 H   0.32588672  -2.47295013  -2.23539480
 H  -1.98182406  -3.12101602  -2.86362537
 H  -3.93931265  -1.88895691  -1.92703593
 H  -3.58979641  -0.00040552  -0.35341775
 H   1.87344576  -1.00770914  -0.93828374
 H   3.17217940   0.54495663   0.20860841
 H  -2.04848829   1.47065638   0.92385120
 H   0.26871603   2.13739243   1.55141312
 23
 Energy -2083.296094145 Gradient 0.00001625
 C  -0.52603497  -1.94510280  -1.80529342
 C  -1.81104741  -2.30710102  -2.15207981
 C  -2.92202430  -1.60043296  -1.63306793
 C  -2.73069697  -0.54031013  -0.77206702
 C  -1.42277435  -0.14024629  -0.39236978
 C  -0.29573909  -0.85811128  -0.92179419
 C   1.01326988  -0.46265849  -0.53749916
 C  -1.19005965   0.94520530   0.49360822
 C   0.08590607   1.32209857   0.85005771
 C   1.17081605   0.59764782   0.31932134
 O   2.46736327   1.02011735   0.70525596
Al   3.20003333   1.62299195   2.46962176
Cl   2.63178831   3.67057521   2.58371187
Cl   2.27440158   0.30961765   3.86148423
Cl   5.21491974   1.17583257   1.88651648
 H   0.33152630  -2.49311709  -2.20640825
 H  -1.97539502  -3.14643610  -2.83264357
 H  -3.93382087  -1.89980080  -1.91749123
 H  -3.58615576   0.00823662  -0.36715357
 H   1.87744042  -1.01378908  -0.92322106
 H   3.17473968   0.55847216   0.20212417
 H  -2.04665962   1.49272839   0.89647937
 H   0.27023250   2.16353405   1.52299713
 23
 Energy -2083.296088225 Gradient 0.00002183
 C  -0.52296491  -1.96121021  -1.78083718
 C  -1.80779582  -2.32461431  -2.12681186
 C  -2.91849906  -1.60676749  -1.62276307
 C  -2.72710569  -0.53432012  -0.77720625
 C  -1.41937445  -0.13254660  -0.39864531
 C  -0.29259403  -0.86162811  -0.91310178
 C   1.01621061  -0.46452620  -0.52973897
 C  -1.18671658   0.96512271   0.47216815
 C   0.08908502   1.34340058   0.82776881
 C   1.17364147   0.60799298   0.31169167
 O   2.47005368   1.03267338   0.69682884
Al   3.19746736   1.62172143   2.46829595
Cl   2.62782912   3.66809774   2.59731566
Cl   2.26764838   0.29588832   3.84553079
Cl   5.21455196   1.18005454   1.88860422
 H   0.33439140  -2.51784082  -2.17034265
 H  -1.97222266  -3.17374631  -2.79508964
 H  -3.93015156  -1.90737303  -1.90639084
 H  -3.58237072   0.02281764  -0.38379671
 H   1.88011430  -1.02434165  -0.90331774
 H   3.17760550   0.56930099   0.19553172
 H  -2.04321459   1.52091642   0.86377003
 H   0.27397885   2.19368951   1.48934619
 23
 Energy -2083.296075003 Gradient 0.00003069
 C  -0.52131702  -1.97579095  -1.75692199
 C  -1.80610310  -2.34033014  -2.10186639
 C  -2.91623399  -1.61157894  -1.61241729
 C  -2.72434674  -0.52730462  -0.78218169
 C  -1.41665852  -0.12411674  -0.40495396
 C  -0.29043374  -0.86418968  -0.90476365
 C   1.01830985  -0.46591683  -0.52234161
 C  -1.18359567   0.98517226   0.45089583
 C   0.09217640   1.36437586   0.80566630
 C   1.17608958   0.61809153   0.30407910
 O   2.47252860   1.04436730   0.68873704
Al   3.19543751   1.61966006   2.46698302
Cl   2.62316670   3.66421860   2.61264085
Cl   2.26367311   0.27975326   3.82915680
Cl   5.21482858   1.18630970   1.88960036
 H   0.33559866  -2.54086241  -2.13508188
 H  -1.97093511  -3.19882669  -2.75796472
 H  -3.92786340  -1.91321862  -1.89503444
 H  -3.57919666   0.03821114  -0.39997561
 H   1.88172432  -1.03429523  -0.88388434
 H   3.18008844   0.57950331   0.18884126
 H  -2.03971036   1.54923199   0.83137312
 H   0.27782311   2.22318588   1.45594795
 23
 Energy -2083.29605097 Gradient 0.00002829
 C  -0.51896167  -1.98774986  -1.73446290
 C  -1.80340389  -2.35422636  -2.07858476
 C  -2.91348891  -1.61633747  -1.60293140
 C  -2.72194065  -0.52115537  -0.78707404
 C  -1.41462517  -0.11576897  -0.41091525
 C  -0.28843420  -0.86506573  -0.89690824
 C   1.01991463  -0.46482687  -0.51522941
 C  -1.18198336   1.00425361   0.43099593
 C   0.09346173   1.38522788   0.78507227
 C   1.17722912   0.62984795   0.29699264
 O   2.47333259   1.05821273   0.68125623
Al   3.19328752   1.61715221   2.46558123
Cl   2.61799804   3.65919448   2.63189183
Cl   2.26345669   0.26100091   3.81325571
Cl   5.21421011   1.19257740   1.88638052
 H   0.33794977  -2.55986981  -2.10185440
 H  -1.96802663  -3.22139741  -2.72322827
 H  -3.92484998  -1.91962844  -1.88474051
 H  -3.57680030   0.05140456  -0.41553282
 H   1.88324866  -1.04041056  -0.86532160
 H   3.18126426   0.59477368   0.18053911
 H  -2.03815768   1.57511335   0.80105983
 H   0.27928480   2.25177024   1.42500633
 23
 Energy -2083.296042907 Gradient 0.00003334
 C  -0.51719744  -2.00124757  -1.71026542
 C  -1.80144873  -2.36817727  -2.05464834
 C  -2.91094223  -1.61952682  -1.59464544
 C  -2.71903780  -0.51344903  -0.79369879
 C  -1.41192973  -0.10733575  -0.41757693
 C  -0.28628757  -0.86733498  -0.88804220
 C   1.02185413  -0.46617681  -0.50651927
 C  -1.17904618   1.02347115   0.40970548
 C   0.09622594   1.40505278   0.76377758
 C   1.17942659   0.63947086   0.29064091
 O   2.47538118   1.06967655   0.67450295
Al   3.19212702   1.61502859   2.46551839
Cl   2.61066729   3.65432730   2.64626958
Cl   2.26195674   0.24512304   3.79869393
Cl   5.21426516   1.19857793   1.88530325
 H   0.33924507  -2.58164623  -2.06558695
 H  -1.96637021  -3.24401572  -2.68738919
 H  -3.92215023  -1.92326467  -1.87652971
 H  -3.57346752   0.06733249  -0.43409733
 H   1.88467652  -1.04986752  -0.84420204
 H   3.18315646   0.60426929   0.17538273
 H  -2.03485202   1.60225156   0.76815306
 H   0.28274695   2.27949195   1.39264337
 23
 Energy -2083.296029338 Gradient 0.00003808
 C  -0.51747499  -2.01668362  -1.68344992
 C  -1.80190177  -2.38280901  -2.02801163
 C  -2.90979216  -1.62137996  -1.58545357
 C  -2.71616706  -0.50357054  -0.80141140
 C  -1.40884465  -0.09801834  -0.42542182
 C  -0.28478488  -0.87091633  -0.87838563
 C   1.02354064  -0.47046867  -0.49666286
 C  -1.17434473   1.04437942   0.38530850
 C   0.10113883   1.42510963   0.73956717
 C   1.18265315   0.64685373   0.28365531
 O   2.47884616   1.07678999   0.66821817
Al   3.18984690   1.61303043   2.46390721
Cl   2.60289221   3.64965279   2.65715304
Cl   2.26083750   0.23070566   3.78514343
Cl   5.21511914   1.20585532   1.88792193
 H   0.33773123  -2.60694659  -2.02521923
 H  -1.96823177  -3.26793244  -2.64730437
 H  -3.92116160  -1.92462197  -1.86730050
 H  -3.56937569   0.08705250  -0.45522921
 H   1.88501508  -1.06410152  -0.82007158
 H   3.18685657   0.61046971   0.17032694
 H  -2.02898987   1.63280790   0.73056708
 H   0.28940043   2.30792465   1.35608910
 23
 Energy -2083.296009667 Gradient 0.00004315
 C  -0.51812482  -2.03121257  -1.65618660
 C  -1.80258157  -2.39658773  -2.00140850
 C  -2.90890738  -1.62274102  -1.57682498
 C  -2.71374616  -0.49352226  -0.80969323
 C  -1.40637128  -0.08841573  -0.43336773
 C  -0.28385237  -0.87379157  -0.86838346
 C   1.02449338  -0.47377779  -0.48628587
 C  -1.17042039   1.06520663   0.36087301
 C   0.10514653   1.44516427   0.71576319
 C   1.18505922   0.65480256   0.27729394
 O   2.48151084   1.08464809   0.66225822
Al   3.18848862   1.61063291   2.46286701
Cl   2.59474630   3.64398351   2.66970648
Cl   2.26185486   0.21502663   3.77179026
Cl   5.21597143   1.21358557   1.88772823
 H   0.33587763  -2.63104340  -1.98402817
 H  -1.97016040  -3.29074885  -2.60726171
 H  -3.92032102  -1.92551749  -1.85901290
 H  -3.56578759   0.10666780  -0.47732934
 H   1.88465177  -1.07690168  -0.79525534
 H   3.18926389   0.61653240   0.16573349
 H  -2.02394273   1.66302538   0.69254055
 H   0.29498604   2.33610825   1.31996490
 23
 Energy -2083.295987021 Gradient 0.00004627
 C  -0.51932973  -2.04500125  -1.62910066
 C  -1.80383344  -2.40929172  -1.97523116
 C  -2.90835179  -1.62316023  -1.56887330
 C  -2.71137687  -0.48298260  -0.81861295
 C  -1.40390198  -0.07873085  -0.44167107
 C  -0.28318166  -0.87651180  -0.85845040
 C   1.02520658  -0.47736031  -0.47558018
 C  -1.16625258   1.08577428   0.33601944
 C   0.10942363   1.46474571   0.69165191
 C   1.18743783   0.66228561   0.27097663
 O   2.48414951   1.09186536   0.65661110
Al   3.18721288   1.60791410   2.46165272
Cl   2.58594415   3.63769035   2.68255246
Cl   2.26374023   0.19916038   3.75883772
Cl   5.21711782   1.22189850   1.88783195
 H   0.33326445  -2.65430493  -1.94281283
 H  -1.97289195  -3.31212025  -2.56763532
 H  -3.91983118  -1.92520238  -1.85162221
 H  -3.56203387   0.12666697  -0.50022817
 H   1.88390320  -1.08983737  -0.76977997
 H   3.19173593   0.62279586   0.16079727
 H  -2.01846444   1.69281827   0.65401985
 H   0.30105584   2.36351243   1.28352647
 23
 Energy -2083.295960942 Gradient 0.00005063
 C  -0.52069389  -2.05810576  -1.60166194
 C  -1.80523807  -2.42122611  -1.94881324
 C  -2.90771862  -1.62297596  -1.56095007
 C  -2.70873294  -0.47206787  -0.82779739
 C  -1.40117288  -0.06866382  -0.45019749
 C  -0.28247890  -0.87868372  -0.84845279
 C   1.02595079  -0.48043742  -0.46484496
 C  -1.16158483   1.10645993   0.31073386
 C   0.11421117   1.48430145   0.66725970
 C   1.19014731   0.66996186   0.26456534
 O   2.48719069   1.09901079   0.65092329
Al   3.18582467   1.60497737   2.46079737
Cl   2.57608421   3.63074284   2.69523685
Cl   2.26606337   0.18254497   3.74569862
Cl   5.21816709   1.23033897   1.88823775
 H   0.33033342  -2.67674743  -1.90102965
 H  -1.97593154  -3.33250162  -2.52767951
 H  -3.91926622  -1.92422656  -1.84430699
 H  -3.55786115   0.14693926  -0.52370322
 H   1.88291219  -1.10220477  -0.74414927
 H   3.19446336   0.62767717   0.15682406
 H  -2.01231573   1.72270147   0.61473622
 H   0.30777763   2.39070291   1.24669484
 23
 Energy -2083.295934348 Gradient 0.00005480
 C  -0.52234894  -2.07072749  -1.57419282
 C  -1.80690716  -2.43250577  -1.92269296
 C  -2.90718878  -1.62234116  -1.55370909
 C  -2.70607677  -0.46111188  -0.83763512
 C  -1.39846865  -0.05880142  -0.45901727
 C  -0.28192794  -0.88083498  -0.83836631
 C   1.02650937  -0.48361908  -0.45362887
 C  -1.15689698   1.12658924   0.28514996
 C   0.11898110   1.50319951   0.64280740
 C   1.19268893   0.67718277   0.25858074
 O   2.48994627   1.10583193   0.64589821
Al   3.18443266   1.60202934   2.46018362
Cl   2.56572121   3.62353862   2.70780712
Cl   2.26952464   0.16560975   3.73303717
Cl   5.21914160   1.23959165   1.88826270
 H   0.32697867  -2.69853658  -1.85893461
 H  -1.97933593  -3.35198180  -2.48791666
 H  -3.91876829  -1.92266903  -1.83794082
 H  -3.55353921   0.16701302  -0.54793642
 H   1.88167087  -1.11439465  -0.71779655
 H   3.19714783   0.63331995   0.15287870
 H  -2.00603786   1.75178863   0.57497369
 H   0.31454860   2.41696450   1.20978194
 23
 Energy -2083.295905125 Gradient 0.00005755
 C  -0.52448093  -2.08267128  -1.54684989
 C  -1.80902638  -2.44311265  -1.89670586
 C  -2.90692639  -1.62145579  -1.54651165
 C  -2.70352068  -0.45024458  -0.84755327
 C  -1.39586556  -0.04895865  -0.46795772
 C  -0.28170068  -0.88264993  -0.82842945
 C   1.02672209  -0.48655570  -0.44254821
 C  -1.15206641   1.14637404   0.25939264
 C   0.12388771   1.52164087   0.61831412
 C   1.19515893   0.68422585   0.25252330
 O   2.49271539   1.11206260   0.64095030
Al   3.18298066   1.59911207   2.45940614
Cl   2.55487704   3.61596501   2.72059091
Cl   2.27418541   0.14848074   3.72067279
Cl   5.22011995   1.24927642   1.88825387
 H   0.32300801  -2.71934745  -1.81697360
 H  -1.98331528  -3.37038081  -2.44845025
 H  -3.91853516  -1.92085045  -1.83161594
 H  -3.54918942   0.18679499  -0.57244778
 H   1.87990540  -1.12608700  -0.69150188
 H   3.19973077   0.63765702   0.14951611
 H  -1.99943487   1.78041969   0.53485466
 H   0.32150353   2.44250571   1.17288731
 23
 Energy -2083.295874646 Gradient 0.00005956
 C  -0.52633258  -2.09419780  -1.51930966
 C  -1.81071430  -2.45351678  -1.87086423
 C  -2.90626167  -1.62079102  -1.53991411
 C  -2.70079324  -0.43992699  -0.85801831
 C  -1.39325895  -0.03951991  -0.47702355
 C  -0.28143029  -0.88437379  -0.81827648
 C   1.02678065  -0.48911990  -0.43096073
 C  -1.14744911   1.16543459   0.23358633
 C   0.12845702   1.53969699   0.59395957
 C   1.19733582   0.69143910   0.24682904
 O   2.49523956   1.11830720   0.63635975
Al   3.18179629   1.59611949   2.45877057
Cl   2.54425313   3.60815530   2.73388027
Cl   2.27833886   0.13158890   3.70794980
Cl   5.22117691   1.25939362   1.88785894
 H   0.31940149  -2.73930215  -1.77454986
 H  -1.98673881  -3.38847224  -2.40893118
 H  -3.91778558  -1.91939501  -1.82617159
 H  -3.54482379   0.20543084  -0.59766844
 H   1.87799265  -1.13701783  -0.66449673
 H   3.20178927   0.64249478   0.14581385
 H  -1.99313605   1.80774356   0.49469828
 H   0.32795228   2.46748353   1.13607804
 23
 Energy -2083.295843037 Gradient 0.00006213
 C  -0.52924894  -2.10566243  -1.49126743
 C  -1.81360606  -2.46313258  -1.84478078
 C  -2.90624152  -1.61909022  -1.53348380
 C  -2.69795141  -0.42888357  -0.86892397
 C  -1.39039125  -0.03003447  -0.48638712
 C  -0.28140295  -0.88634769  -0.80788683
 C   1.02685948  -0.49258307  -0.41900774
 C  -1.14203206   1.18430998   0.20709927
 C   0.13390138   1.55686321   0.56906939
 C   1.19996544   0.69751685   0.24114997
 O   2.49778197   1.12440835   0.63222816
Al   3.18056908   1.59313233   2.45834544
Cl   2.53325440   3.60029255   2.74546155
Cl   2.28308138   0.11526240   3.69608539
Cl   5.22226008   1.26917759   1.88827328
 H   0.31417344  -2.75957978  -1.73121627
 H  -1.99187036  -3.40537920  -2.36919528
 H  -3.91776744  -1.91636868  -1.82109379
 H  -3.53972727   0.22531492  -0.62380298
 H   1.87571308  -1.14892434  -0.63682745
 H   3.20490872   0.64968664   0.14139523
 H  -1.98559027   1.83530754   0.45315707
 H   0.33584221   2.49142790   1.09839598
 23
 Energy -2083.295803388 Gradient 0.00006411
 C  -0.53351266  -2.11622422  -1.46297884
 C  -1.81796362  -2.47139308  -1.81846088
 C  -2.90715958  -1.61588966  -1.52696365
 C  -2.69545870  -0.41674484  -0.87980335
 C  -1.38772302  -0.01994469  -0.49568953
 C  -0.28215387  -0.88787855  -0.79730543
 C   1.02621665  -0.49607341  -0.40680286
 C  -1.13604793   1.20342674   0.18049861
 C   0.14008107   1.57392524   0.54400887
 C   1.20266705   0.70321258   0.23553896
 O   2.50113098   1.12848735   0.62770653
Al   3.17958058   1.58971077   2.45730963
Cl   2.52111135   3.59167016   2.75568794
Cl   2.28959149   0.09890595   3.68516707
Cl   5.22380882   1.27912833   1.88934253
 H   0.30728936  -2.77890175  -1.68765089
 H  -1.99900229  -3.42071355  -2.32899976
 H  -3.91880332  -1.91150088  -1.81589730
 H  -3.53463862   0.24623323  -0.64980405
 H   1.87234604  -1.16095183  -0.60866734
 H   3.20742935   0.65001982   0.13936211
 H  -1.97709681   1.86308582   0.41162737
 H   0.34490642   2.51504973   1.06031126
 23
 Energy -2083.295767905 Gradient 0.00006692
 C  -0.53784949  -2.12627923  -1.43468407
 C  -1.82228096  -2.47927310  -1.79230072
 C  -2.90795002  -1.61277602  -1.52076492
 C  -2.69283867  -0.40495309  -0.89110942
 C  -1.38502467  -0.01002133  -0.50527529
 C  -0.28298797  -0.88914904  -0.78679504
 C   1.02537435  -0.49924358  -0.39445893
 C  -1.13003745   1.22206519   0.15362939
 C   0.14620208   1.59047419   0.51907222
 C   1.20524954   0.70887604   0.23017032
 O   2.50415414   1.13238449   0.62403542
Al   3.17897698   1.58628202   2.45686772
Cl   2.50883536   3.58264301   2.76652560
Cl   2.29611971   0.08251466   3.67416909
Cl   5.22537909   1.28956262   1.88947484
 H   0.30021370  -2.79745053  -1.64378581
 H  -2.00607574  -3.43534339  -2.28906195
 H  -3.91963471  -1.90676579  -1.81121522
 H  -3.52932286   0.26656011  -0.67663407
 H   1.86857792  -1.17238535  -0.58033427
 H   3.21024903   0.65392687   0.13549450
 H  -1.96843758   1.89023521   0.36945592
 H   0.35387947   2.53779242   1.02263220
 23
 Energy -2083.295728446 Gradient 0.00006787
 C  -0.54231812  -2.13603049  -1.40632559
 C  -1.82670211  -2.48689108  -1.76619121
 C  -2.90867523  -1.60970349  -1.51487006
 C  -2.69002536  -0.39354624  -0.90276136
 C  -1.38217437  -0.00052804  -0.51506000
 C  -0.28380488  -0.89048408  -0.77626520
 C   1.02457291  -0.50256390  -0.38195145
 C  -1.12377659   1.23994323   0.12649995
 C   0.15253633   1.60630022   0.49382747
 C   1.20788914   0.71410728   0.22478354
 O   2.50709827   1.13632560   0.62035203
Al   3.17805760   1.58306689   2.45632097
Cl   2.49626046   3.57368494   2.77721137
Cl   2.30323576   0.06628203   3.66345284
Cl   5.22666819   1.30048860   1.88997946
 H   0.29291622  -2.81537418  -1.59978017
 H  -2.01336438  -3.44955236  -2.24896246
 H  -3.92037583  -1.90215121  -1.80682492
 H  -3.52372183   0.28614942  -0.70371065
 H   1.86474712  -1.18367378  -0.55157583
 H   3.21302632   0.65691334   0.13257935
 H  -1.95945382   1.91621779   0.32706053
 H   0.36316755   2.55971124   0.98437174
 23
 Energy -2083.295689828 Gradient 0.00006986
 C  -0.54714866  -2.14529184  -1.37779946
 C  -1.83138085  -2.49389483  -1.74031687
 C  -2.90948373  -1.60637712  -1.50943213
 C  -2.68724099  -0.38225893  -0.91474531
 C  -1.37944620   0.00881991  -0.52484639
 C  -0.28493821  -0.89165894  -0.76550207
 C   1.02330612  -0.50549636  -0.36909515
 C  -1.11754724   1.25738935   0.09937383
 C   0.15875415   1.62174037   0.46888698
 C   1.21028945   0.71937599   0.21974378
 O   2.50993068   1.14000788   0.61687401
Al   3.17733750   1.57971241   2.45569013
Cl   2.48325137   3.56421933   2.78758588
Cl   2.31122237   0.05004945   3.65302104
Cl   5.22815868   1.31182495   1.89039017
 H   0.28507399  -2.83261718  -1.55534343
 H  -2.02095613  -3.46276201  -2.20933764
 H  -3.92110262  -1.89715131  -1.80333542
 H  -3.51797240   0.30547171  -0.73158890
 H   1.86035404  -1.19421716  -0.52250482
 H   3.21549224   0.65957335   0.12965105
 H  -1.95034074   1.94163193   0.28435144
 H   0.37227500   2.58095122   0.94654048
 23
 Energy -2083.295648291 Gradient 0.00007045
 C  -0.55236125  -2.15390653  -1.34930025
 C  -1.83646285  -2.50022332  -1.71446062
 C  -2.91040048  -1.60255490  -1.50423579
 C  -2.68425428  -0.37075879  -0.92716572
 C  -1.37649890   0.01825777  -0.53501916
 C  -0.28613625  -0.89255239  -0.75487519
 C   1.02197527  -0.50838713  -0.35612787
 C  -1.11088997   1.27460062   0.07173877
 C   0.16539258   1.63681978   0.44353370
 C   1.21279634   0.72438690   0.21468242
 O   2.51284070   1.14332757   0.61367117
Al   3.17667758   1.57616944   2.45525653
Cl   2.47022380   3.55447989   2.79773592
Cl   2.31907404   0.03401846   3.64298002
Cl   5.22959648   1.32295695   1.89110241
 H   0.27669181  -2.84895657  -1.51090160
 H  -2.02919450  -3.47510136  -2.16952970
 H  -3.92197744  -1.89167158  -1.79992191
 H  -3.51185181   0.32473973  -0.75977885
 H   1.85572696  -1.20453883  -0.49291693
 H   3.21798719   0.66232447   0.12646736
 H  -1.94065049   1.96654019   0.24101714
 H   0.38206715   2.60164341   0.90813806
 23
 Energy -2083.29560907 Gradient 0.00007260
 C  -0.55793229  -2.16210754  -1.32075756
 C  -1.84183630  -2.50608944  -1.68870951
 C  -2.91139847  -1.59862699  -1.49925524
 C  -2.68120100  -0.35946998  -0.93981475
 C  -1.37352357   0.02753106  -0.54536507
 C  -0.28753269  -0.89329550  -0.74429761
 C   1.02045601  -0.51116764  -0.34323319
 C  -1.10394096   1.29139267   0.04380326
 C   0.17233238   1.65137929   0.41796498
 C   1.21536303   0.72918028   0.20948647
 O   2.51569646   1.14639429   0.61059695
Al   3.17566513   1.57262407   2.45484104
Cl   2.45756661   3.54475179   2.80792588
Cl   2.32737272   0.01804533   3.63324045
Cl   5.23062887   1.33422468   1.89193700
 H   0.26771190  -2.86475475  -1.46610540
 H  -2.03783825  -3.48669998  -2.12983964
 H  -3.92287827  -1.88598918  -1.79698457
 H  -3.50544746   0.34364915  -0.78859963
 H   1.85070641  -1.21444471  -0.46345998
 H   3.22086423   0.66508531   0.12378427
 H  -1.93031325   1.99104200   0.19724658
 H   0.39238373   2.62162149   0.86933644
 23
 Energy -2083.29556579 Gradient 0.00007676
 C  -0.56373578  -2.16987695  -1.29184421
 C  -1.84729052  -2.51162137  -1.66307791
 C  -2.91234362  -1.59465013  -1.49503064
 C  -2.67813837  -0.34842110  -0.95327339
 C  -1.37072565   0.03653961  -0.55589970
 C  -0.28921077  -0.89393701  -0.73335351
 C   1.01846770  -0.51372083  -0.32947414
 C  -1.09729138   1.30756604   0.01578198
 C   0.17876867   1.66548491   0.39274707
 C   1.21738361   0.73391508   0.20506985
 O   2.51804294   1.14951693   0.60813799
Al   3.17533753   1.56918449   2.45454154
Cl   2.44441029   3.53465611   2.81809321
Cl   2.33648496   0.00249235   3.62388002
Cl   5.23199725   1.34551077   1.89179026
 H   0.25848693  -2.87970149  -1.42074435
 H  -2.04654978  -3.49775246  -2.09022262
 H  -3.92360268  -1.88036811  -1.79508923
 H  -3.49899765   0.36196386  -0.81839834
 H   1.84514803  -1.22383456  -0.43276051
 H   3.22284225   0.66818190   0.12096659
 H  -1.92046802   2.01430501   0.15303002
 H   0.40200647   2.64091362   0.83102311
 23
 Energy -2083.295521448 Gradient 0.00007526
 C  -0.57118315  -2.17697408  -1.26399216
 C  -1.85476084  -2.51557885  -1.63801330
 C  -2.91460773  -1.58910710  -1.49027801
 C  -2.67527449  -0.33653834  -0.96573045
 C  -1.36769145   0.04546428  -0.56606320
 C  -0.29141282  -0.89465868  -0.72291081
 C   1.01617088  -0.51691460  -0.31637798
 C  -1.08941019   1.32288028  -0.01144355
 C   0.18639350   1.67845626   0.36860447
 C   1.21997873   0.73731696   0.20073261
 O   2.52130928   1.15020818   0.60582812
Al   3.17528851   1.56558287   2.45403889
Cl   2.42946835   3.52400386   2.82533344
Cl   2.34708181  -0.01288446   3.61548153
Cl   5.23406866   1.35821744   1.89330331
 H   0.24689107  -2.89426311  -1.37698678
 H  -2.05811526  -3.50666111  -2.05154724
 H  -3.92592425  -1.87250282  -1.79235637
 H  -3.49203071   0.38134104  -0.84663576
 H   1.83885844  -1.23374106  -0.40338619
 H   3.22559100   0.66918840   0.11777449
 H  -1.90890217   2.03676476   0.11008350
 H   0.41325530   2.65848274   0.79434702
 23
 Energy -2083.295479812 Gradient 0.00007373
 C  -0.57998072  -2.18294429  -1.23676459
 C  -1.86380479  -2.51792723  -1.61317696
 C  -2.91783880  -1.58198592  -1.48483112
 C  -2.67259116  -0.32366378  -0.97705018
 C  -1.36458902   0.05491346  -0.57546358
 C  -0.29414419  -0.89494108  -0.71265987
 C   1.01379377  -0.52073119  -0.30402831
 C  -1.08037614   1.33819437  -0.03768807
 C   0.19585951   1.69017549   0.34431423
 C   1.22358018   0.73941947   0.19594965
 O   2.52571525   1.14902269   0.60302614
Al   3.17506751   1.56146339   2.45342020
Cl   2.41426378   3.51293775   2.83083192
Cl   2.35758832  -0.02830191   3.60725907
Cl   5.23631469   1.37158863   1.89621214
 H   0.23367117  -2.90741404  -1.33481980
 H  -2.07189112  -3.51342182  -2.01355303
 H  -3.92944427  -1.86266710  -1.78845527
 H  -3.48494985   0.40147656  -0.87278651
 H   1.83180135  -1.24457755  -0.37546193
 H   3.22908786   0.66564633   0.11608011
 H  -1.89537073   2.05956363   0.06897283
 H   0.42747708   2.67440850   0.75743233
 23
 Energy -2083.295440565 Gradient 0.00007484
 C  -0.58861969  -2.18885306  -1.20852089
 C  -1.87242186  -2.52036132  -1.58796804
 C  -2.92050250  -1.57515710  -1.48013008
 C  -2.66949234  -0.31124070  -0.98936542
 C  -1.36133875   0.06416390  -0.58520939
 C  -0.29681511  -0.89518507  -0.70185206
 C   1.01138983  -0.52437190  -0.29094406
 C  -1.07142088   1.35330558  -0.06458491
 C   0.20534445   1.70141024   0.31941526
 C   1.22708407   0.74171521   0.19120611
 O   2.52974222   1.14855441   0.60060138
Al   3.17494047   1.55762467   2.45284567
Cl   2.39929636   3.50188739   2.83738089
Cl   2.36769471  -0.04315853   3.59888157
Cl   5.23821829   1.38418878   1.89832972
 H   0.22042374  -2.92044750  -1.29055019
 H  -2.08515059  -3.52021630  -1.97478863
 H  -3.93218293  -1.85311700  -1.78603760
 H  -3.47731348   0.42105882  -0.90109894
 H   1.82460113  -1.25492039  -0.34611772
 H   3.23295490   0.66605335   0.11273123
 H  -1.88184748   2.08189402   0.02651864
 H   0.44172423   2.68981966   0.71956175
 23
 Energy -2083.295398379 Gradient 0.00007408
 C  -0.59705906  -2.19454802  -1.18043390
 C  -1.88069735  -2.52284380  -1.56319230
 C  -2.92280280  -1.56894144  -1.47611463
 C  -2.66612745  -0.29958573  -1.00261354
 C  -1.35797474   0.07281357  -0.59564971
 C  -0.29946030  -0.89552158  -0.69116790
 C   1.00866832  -0.52767369  -0.27741678
 C  -1.06240725   1.36752663  -0.09231668
 C   0.21436951   1.71254215   0.29448041
 C   1.23017654   0.74406549   0.18689395
 O   2.53345371   1.14815119   0.59827268
Al   3.17471232   1.55430623   2.45248767
Cl   2.38404031   3.49095374   2.84411563
Cl   2.37865312  -0.05756908   3.59121383
Cl   5.23974203   1.39684629   1.90036095
 H   0.20742510  -2.93275064  -1.24641681
 H  -2.09796052  -3.52683730  -1.93654103
 H  -3.93444643  -1.84450549  -1.78427837
 H  -3.46943108   0.43940054  -0.93026067
 H   1.81710323  -1.26453403  -0.31615604
 H   3.23572632   0.66202339   0.11273603
 H  -1.86834892   2.10286115  -0.01710412
 H   0.45517822   2.70495805   0.68164805
 23
 Energy -2083.295355602 Gradient 0.00007420
 C  -0.60583524  -2.19973293  -1.15255966
 C  -1.88928602  -2.52478085  -1.53863452
 C  -2.92519807  -1.56244832  -1.47242069
 C  -2.66266644  -0.28804284  -1.01604651
 C  -1.35452012   0.08129210  -0.60621164
 C  -0.30222119  -0.89563591  -0.68071712
 C   1.00585603  -0.53077803  -0.26411369
 C  -1.05320335   1.38123568  -0.12008577
 C   0.22357609   1.72309349   0.26961859
 C   1.23322408   0.74623836   0.18256549
 O   2.53700223   1.14750884   0.59638390
Al   3.17440867   1.55058304   2.45218943
Cl   2.36846019   3.47954380   2.85036236
Cl   2.39029846  -0.07194257   3.58439199
Cl   5.24118379   1.41020100   1.90238956
 H   0.19382867  -2.94441900  -1.20232161
 H  -2.11124281  -3.53270407  -1.89839518
 H  -3.93677352  -1.83551314  -1.78306276
 H  -3.46117726   0.45751860  -0.95995261
 H   1.80936900  -1.27359433  -0.28635408
 H   3.23888095   0.66072662   0.11105763
 H  -1.85447187   2.12311296  -0.06087858
 H   0.46894541   2.71928678   0.64386516
 23
 Energy -2083.295311002 Gradient 0.00007351
 C  -0.61501987  -2.20447393  -1.12468064
 C  -1.89821792  -2.52620365  -1.51435140
 C  -2.92767332  -1.55577761  -1.46900915
 C  -2.65910372  -0.27665696  -1.02966846
 C  -1.35103235   0.08958415  -0.61681875
 C  -0.30521087  -0.89569822  -0.67013571
 C   1.00277640  -0.53396495  -0.25052400
 C  -1.04365625   1.39440857  -0.14787410
 C   0.23308446   1.73301124   0.24481740
 C   1.23633858   0.74798656   0.17843480
 O   2.54056781   1.14641382   0.59476562
Al   3.17424273   1.54694659   2.45221247
Cl   2.35279673   3.46800512   2.85652124
Cl   2.40221316  -0.08635401   3.57751916
Cl   5.24249724   1.42417665   1.90423145
 H   0.17970442  -2.95532970  -1.15823575
 H  -2.12501947  -3.53772788  -1.86072212
 H  -3.93914758  -1.82634648  -1.78214194
 H  -3.45274317   0.47510696  -0.98953098
 H   1.80119173  -1.28252289  -0.25638010
 H   3.24199960   0.65876490   0.10979488
 H  -1.84006716   2.14258412  -0.10463233
 H   0.48332196   2.73269647   0.60607814
 23
 Energy -2083.295268412 Gradient 0.00007628
 C  -0.62435431  -2.20873597  -1.09696473
 C  -1.90715720  -2.52728259  -1.49047209
 C  -2.93009791  -1.54920002  -1.46620209
 C  -2.65555023  -0.26567535  -1.04375249
 C  -1.34767204   0.09755374  -0.62753896
 C  -0.30840320  -0.89557723  -0.65956364
 C   0.99934439  -0.53667709  -0.23677503
 C  -1.03438936   1.40699567  -0.17564706
 C   0.24220826   1.74259739   0.22023816
 C   1.23897931   0.74993569   0.17453894
 O   2.54375915   1.14549929   0.59317490
Al   3.17410262   1.54355794   2.45190852
Cl   2.33673872   3.45619758   2.86262648
Cl   2.41536114  -0.10053920   3.57100136
Cl   5.24383215   1.43793193   1.90645598
 H   0.16529458  -2.96546411  -1.11418386
 H  -2.13873829  -3.54217734  -1.82355370
 H  -3.94133928  -1.81733222  -1.78219414
 H  -3.44403830   0.49218572  -1.02001334
 H   1.79267470  -1.29050148  -0.22597134
 H   3.24450169   0.65685928   0.10833127
 H  -1.82589093   2.16111917  -0.14852747
 H   0.49712345   2.74561615   0.56859101
 23
 Energy -2083.295223917 Gradient 0.00007140
 C  -0.63549337  -2.21200895  -1.07047488
 C  -1.91812611  -2.52624960  -1.46802494
 C  -2.93369861  -1.54022207  -1.46404701
 C  -2.65202504  -0.25314299  -1.05756665
 C  -1.34406956   0.10591936  -0.63790908
 C  -0.31227347  -0.89529480  -0.64931477
 C   0.99536010  -0.54005234  -0.22319124
 C  -1.02435134   1.41920955  -0.20249684
 C   0.25222278   1.75122533   0.19666575
 C   1.24187416   0.75061902   0.17109318
 O   2.54743668   1.14230907   0.59218941
Al   3.17443024   1.53963458   2.45177990
Cl   2.32047520   3.44392372   2.86692207
Cl   2.42932983  -0.11438060   3.56586394
Cl   5.24550413   1.45169121   1.90898872
 H   0.14845142  -2.97484672  -1.07198125
 H  -2.15531476  -3.54388859  -1.78854611
 H  -3.94489071  -1.80508073  -1.78293117
 H  -3.43481951   0.51090800  -1.04928174
 H   1.78309889  -1.29926976  -0.19643630
 H   3.24723233   0.65208600   0.10772377
 H  -1.81058145   2.17920123  -0.19106254
 H   0.51241799   2.75704826   0.53264511
 23
 Energy -2083.295183522 Gradient 0.00007157
 C  -0.64734211  -2.21470041  -1.04497459
 C  -1.92966783  -2.52455162  -1.44683449
 C  -2.93762420  -1.53083879  -1.46278102
 C  -2.64887393  -0.24051241  -1.07172214
 C  -1.34097942   0.11432942  -0.64828793
 C  -0.31681980  -0.89490108  -0.63941679
 C   0.99094364  -0.54424333  -0.20973411
 C  -1.01342142   1.43094573  -0.22855410
 C   0.26332396   1.75812556   0.17395560
 C   1.24520219   0.74978016   0.16827707
 O   2.55144731   1.13758178   0.59177709
Al   3.17522994   1.53581819   2.45210673
Cl   2.30363502   3.43123519   2.87114603
Cl   2.44374622  -0.12756205   3.56155962
Cl   5.24717290   1.46678739   1.91079104
 H   0.13073459  -2.98337901  -1.03097534
 H  -2.17256269  -3.54457222  -1.75528452
 H  -3.94871221  -1.79227371  -1.78483463
 H  -3.42586444   0.52946533  -1.07911134
 H   1.77246648  -1.30910470  -0.16742790
 H   3.25055129   0.64635251   0.10748982
 H  -1.79355910   2.19727676  -0.23238034
 H   0.52938184   2.76628742   0.49792748
 23
 Energy -2083.295139611 Gradient 0.00007425
 C  -0.65847053  -2.21757128  -1.01943681
 C  -1.94024775  -2.52359427  -1.42595954
 C  -2.94070414  -1.52287573  -1.46248347
 C  -2.64519789  -0.22945312  -1.08705437
 C  -1.33767554   0.12170951  -0.65946026
 C  -0.32105394  -0.89473435  -0.62972573
 C   0.98636106  -0.54767706  -0.19608384
 C  -1.00338988   1.44155583  -0.25550230
 C   0.27305959   1.76500940   0.15098933
 C   1.24758662   0.74964976   0.16547706
 O   2.55440347   1.13382464   0.59168452
Al   3.17561457   1.53230713   2.45238841
Cl   2.28661734   3.41852482   2.87623699
Cl   2.45969878  -0.14041011   3.55839944
Cl   5.24823799   1.48267792   1.91204947
 H   0.11388470  -2.99155896  -0.98951765
 H  -2.18853629  -3.54594833  -1.72214811
 H  -3.95144963  -1.78135738  -1.78797600
 H  -3.41659786   0.54579558  -1.11022854
 H   1.76208591  -1.31733091  -0.13793603
 H   3.25268616   0.64134152   0.10761994
 H  -1.77795136   2.21327120  -0.27500067
 H   0.54436658   2.77548916   0.46301378
 23
 Energy -2083.29509695 Gradient 0.00007447
 C  -0.67066377  -2.22017196  -0.99417769
 C  -1.95174182  -2.52199154  -1.40595951
 C  -2.94419512  -1.51428869  -1.46358014
 C  -2.64152883  -0.21816562  -1.10349962
 C  -1.33449242   0.12888136  -0.67098679
 C  -0.32586534  -0.89471108  -0.62012579
 C   0.98119826  -0.55163198  -0.18215783
 C  -0.99318662   1.45154077  -0.28237924
 C   0.28288188   1.77082949   0.12863061
 C   1.24970334   0.74866289   0.16317592
 O   2.55682459   1.12913176   0.59277145
Al   3.17619094   1.52891701   2.45329518
Cl   2.27018166   3.40610912   2.88080929
Cl   2.47691698  -0.15280400   3.55666957
Cl   5.24888163   1.49868996   1.91236603
 H   0.09545320  -2.99952540  -0.94798014
 H  -2.20571826  -3.54639307  -1.68998872
 H  -3.95447845  -1.76950440  -1.79305740
 H  -3.40674528   0.56254445  -1.14305496
 H   1.75078374  -1.32599093  -0.10792744
 H   3.25494682   0.63724965   0.10800854
 H  -1.76166370   2.22875632  -0.31760796
 H   0.55970881   2.78327533   0.42904327
 23
 Energy -2083.295050808 Gradient 0.00007611
 C  -0.68272046  -2.22291063  -0.96904427
 C  -1.96259762  -2.52080939  -1.38735619
 C  -2.94688665  -1.50660704  -1.46676441
 C  -2.63759564  -0.20799323  -1.12154600
 C  -1.33155019   0.13527666  -0.68302426
 C  -0.33105660  -0.89503961  -0.61021388
 C   0.97527651  -0.55575247  -0.16707659
 C  -0.98326550   1.46050306  -0.30963189
 C   0.29216195   1.77581946   0.10646264
 C   1.25105309   0.74723652   0.16192242
 O   2.55852410   1.12428534   0.59437494
Al   3.17668495   1.52625591   2.45441724
Cl   2.25380876   3.39404949   2.88644075
Cl   2.49549414  -0.16395601   3.55652745
Cl   5.24886489   1.51490503   1.91090251
 H   0.07721672  -3.00711807  -0.90603184
 H  -2.22195665  -3.54702637  -1.65971961
 H  -3.95629690  -1.75876370  -1.80125799
 H  -3.39658036   0.57775515  -1.17777025
 H   1.73861972  -1.33450361  -0.07655603
 H   3.25614700   0.63093210   0.11045908
 H  -1.74474178   2.24350288  -0.36081763
 H   0.57442982   2.79017170   0.39506491
 23
 Energy -2083.295009321 Gradient 0.00007953
 C  -0.69508085  -2.22584780  -0.94504423
 C  -1.97339750  -2.51979609  -1.37085809
 C  -2.94934526  -1.49953186  -1.47246990
 C  -2.63345065  -0.19880756  -1.14162288
 C  -1.32875905   0.14062626  -0.69611860
 C  -0.33659306  -0.89586012  -0.60079569
 C   0.96851752  -0.55986929  -0.15148280
 C  -0.97421699   1.46829516  -0.33757954
 C   0.30004739   1.78018701   0.08463237
 C   1.25109084   0.74565082   0.16156285
 O   2.55865590   1.11929704   0.59753939
Al   3.17778764   1.52377818   2.45607205
Cl   2.23845561   3.38202722   2.89333703
Cl   2.51516617  -0.17380137   3.55855023
Cl   5.24877149   1.53162266   1.90804118
 H   0.05805818  -3.01497742  -0.86503694
 H  -2.23800811  -3.54759980  -1.63196610
 H  -3.95759771  -1.74868808  -1.81264906
 H  -3.38598483   0.59170566  -1.21504456
 H   1.72572519  -1.34238914  -0.04409841
 H   3.25644929   0.62822482   0.11170575
 H  -1.73062473   2.25506107  -0.40607929
 H   0.58736542   2.79629290   0.36168544
 23
 Energy -2083.294966956 Gradient 0.00008944
 C  -0.70686268  -2.22856988  -0.92160675
 C  -1.98310015  -2.51923235  -1.35587522
 C  -2.95073960  -1.49372774  -1.48075236
 C  -2.62893741  -0.19093584  -1.16406798
 C  -1.32623161   0.14540190  -0.71041788
 C  -0.34219107  -0.89662705  -0.59190574
 C   0.96124284  -0.56348125  -0.13564242
 C  -0.96598300   1.47529473  -0.36607907
 C   0.30671317   1.78400380   0.06322118
 C   1.25003784   0.74435418   0.16165808
 O   2.55710298   1.11498983   0.60249586
Al   3.17873772   1.52162782   2.45884170
Cl   2.22406151   3.37084597   2.90098479
Cl   2.53604643  -0.18277264   3.56292745
Cl   5.24764173   1.54737063   1.90339567
 H   0.03911576  -3.02241158  -0.82416875
 H  -2.25246186  -3.54858819  -1.60579883
 H  -3.95733340  -1.74042588  -1.82756994
 H  -3.37514819   0.60370871  -1.25528503
 H   1.71239513  -1.34919242  -0.01105138
 H   3.25593871   0.62953484   0.11265952
 H  -1.71546034   2.26686095  -0.45118828
 H   0.59867535   2.80169189   0.32940572
 23
 Energy -2083.294910377 Gradient 0.00009827
 C  -0.71893987  -2.23093733  -0.89891412
 C  -1.99239801  -2.51889159  -1.34292567
 C  -2.95160638  -1.48851268  -1.49164096
 C  -2.62433148  -0.18386396  -1.18841662
 C  -1.32422428   0.14973163  -0.72532264
 C  -0.34867946  -0.89715314  -0.58310740
 C   0.95270023  -0.56671971  -0.11911585
 C  -0.95843936   1.48159384  -0.39451294
 C   0.31220015   1.78752364   0.04295404
 C   1.24774203   0.74307034   0.16322123
 O   2.55448207   1.11041291   0.60859182
Al   3.17941652   1.51968312   2.46208254
Cl   2.21213975   3.36078331   2.90995500
Cl   2.55808650  -0.19023493   3.57000546
Cl   5.24540756   1.56128486   1.89556478
 H   0.02160912  -3.02750778  -0.78266119
 H  -2.26612383  -3.54962434  -1.58215174
 H  -3.95610764  -1.73293710  -1.84606477
 H  -3.36413514   0.61443946  -1.29798158
 H   1.69770705  -1.35535428   0.02248464
 H   3.25412316   0.62887476   0.11614077
 H  -1.70275365   2.27609542  -0.49754908
 H   0.60851297   2.80664395   0.29852431
 23
 Energy -2083.294859628 Gradient 0.00010968
 C  -0.73203975  -2.23319908  -0.87771099
 C  -2.00215038  -2.51835835  -1.33292713
 C  -2.95256971  -1.48358819  -1.50563797
 C  -2.62024966  -0.17742242  -1.21460624
 C  -1.32334546   0.15352028  -0.74066129
 C  -0.35644665  -0.89797066  -0.57452530
 C   0.94241952  -0.57029818  -0.10159779
 C  -0.95229338   1.48699525  -0.42234669
 C   0.31601260   1.78989618   0.02411042
 C   1.24356741   0.74113996   0.16628224
 O   2.54968659   1.10550175   0.61651943
Al   3.18129861   1.51815003   2.46590685
Cl   2.20358551   3.35190011   2.92060317
Cl   2.58087217  -0.19577262   3.57934259
Cl   5.24316851   1.57346604   1.88463447
 H   0.00188549  -3.03299026  -0.74312584
 H  -2.28000606  -3.55015866  -1.56259058
 H  -3.95446033  -1.72579214  -1.86889525
 H  -3.35347596   0.62420317  -1.34263867
 H   1.68109431  -1.36155691   0.05706409
 H   3.25052825   0.63055292   0.11945849
 H  -1.68923703   2.28575600  -0.54242194
 H   0.61664833   2.81021185   0.26968776
 23
 Energy -2083.2947943 Gradient 0.00012796
 C  -0.74481774  -2.23553182  -0.85753284
 C  -2.01090469  -2.51842272  -1.32520062
 C  -2.95250938  -1.47998520  -1.52254768
 C  -2.61581275  -0.17248193  -1.24281308
 C  -1.32286514   0.15622933  -0.75661353
 C  -0.36454409  -0.89896269  -0.56621173
 C   0.93119912  -0.57305220  -0.08357329
 C  -0.94756272   1.49123710  -0.44975804
 C   0.31761936   1.79225172   0.00677194
 C   1.23760817   0.73993798   0.17055566
 O   2.54299142   1.10142851   0.62592763
Al   3.18329842   1.51655157   2.47027628
Cl   2.19814358   3.34438366   2.93211426
Cl   2.60350620  -0.20031849   3.59029842
Cl   5.24039220   1.58447415   1.87226748
 H  -0.01758996  -3.03805577  -0.70416824
 H  -2.29236187  -3.55121231  -1.54583687
 H  -3.95117642  -1.72042677  -1.89569579
 H  -3.34237352   0.63197087  -1.38964598
 H   1.66401454  -1.36608839   0.09212644
 H   3.24544540   0.63739176   0.12097272
 H  -1.67953638   2.29186457  -0.58785706
 H   0.62170784   2.81372076   0.24312961
 23
 Energy -2083.294723742 Gradient 0.00017664
 C  -0.75870808  -2.23792734  -0.83704377
 C  -2.01906902  -2.51845349  -1.32127482
 C  -2.95101150  -1.47659339  -1.54486962
 C  -2.61104677  -0.16817529  -1.27348070
 C  -1.32363010   0.15827488  -0.77125355
 C  -0.37444395  -0.90035378  -0.55560591
 C   0.91776887  -0.57626914  -0.06235142
 C  -0.94455141   1.49448557  -0.47427368
 C   0.31727038   1.79346717  -0.00706313
 C   1.22974346   0.73807541   0.17775511
 O   2.53491178   1.09704722   0.63656877
Al   3.18602229   1.51542315   2.47455037
Cl   2.19612639   3.33912764   2.94255447
Cl   2.62536194  -0.20435778   3.59978155
Cl   5.23841655   1.59428056   1.86054073
 H  -0.03859321  -3.04282496  -0.66388721
 H  -2.30337287  -3.55190303  -1.53506116
 H  -3.94501477  -1.71512447  -1.93148762
 H  -3.33043124   0.63885403  -1.44021835
 H   1.64457065  -1.37084847   0.13015684
 H   3.23875788   0.64631174   0.12170280
 H  -1.67025771   2.29758823  -0.62996137
 H   0.62483619   2.81589333   0.22056982
 23
 Energy -2083.294640178 Gradient 0.00028529
 C  -0.77260585  -2.24035309  -0.81504683
 C  -2.02400131  -2.51893654  -1.32304282
 C  -2.94561933  -1.47441495  -1.57511462
 C  -2.60554882  -0.16551195  -1.30600429
 C  -1.32676409   0.15914725  -0.78099196
 C  -0.38673131  -0.90203367  -0.53941169
 C   0.90103883  -0.57892127  -0.03406496
 C  -0.94580931   1.49628292  -0.49026777
 C   0.31233645   1.79429357  -0.01237540
 C   1.21839646   0.73677594   0.19102396
 O   2.52563246   1.09409285   0.64640740
Al   3.19046649   1.51582728   2.47748911
Cl   2.19730143   3.33699620   2.94780801
Cl   2.64497116  -0.20904039   3.60281324
Cl   5.23919382   1.60213537   1.85257268
 H  -0.05988991  -3.04705030  -0.62088084
 H  -2.30893308  -3.55274139  -1.53423637
 H  -3.93212241  -1.71128386  -1.98145639
 H  -3.31755623   0.64338068  -1.49396763
 H   1.62248847  -1.37440396   0.17404868
 H   3.22603613   0.64355365   0.12680416
 H  -1.66578717   2.30112697  -0.66271665
 H   0.62261671   2.81772439   0.20693706
 23
 Energy -2083.294504492 Gradient 0.00043564
 C  -0.78445131  -2.24202683  -0.79235853
 C  -2.02370099  -2.51949889  -1.32981145
 C  -2.93523035  -1.47338874  -1.61041551
 C  -2.59907170  -0.16438358  -1.33672211
 C  -1.33192722   0.15938860  -0.78364985
 C  -0.39999427  -0.90310967  -0.51784044
 C   0.88315065  -0.57979971  -0.00116480
 C  -0.95180660   1.49727742  -0.49473561
 C   0.30275566   1.79554957  -0.00737710
 C   1.20473063   0.73717618   0.20947017
 O   2.51626353   1.09409816   0.65432462
Al   3.19615144   1.51636371   2.47810134
Cl   2.19985183   3.33657979   2.94523954
Cl   2.65982014  -0.21490654   3.59851297
Cl   5.24323272   1.60776365   1.84964826
 H  -0.07864326  -3.04959836  -0.57773499
 H  -2.30637803  -3.55346036  -1.54326998
 H  -3.91133473  -1.70915601  -2.04176709
 H  -3.30415554   0.64550012  -1.54543511
 H   1.60079770  -1.37531059   0.21947876
 H   3.20934729   0.63771624   0.13015505
 H  -1.66748328   2.30284457  -0.68111280
 H   0.61457817   2.81983737   0.20560725
 23
 Energy -2083.294289333 Gradient 0.00060355
 C  -0.79392802  -2.24270340  -0.77038432
 C  -2.01927780  -2.51965106  -1.33897161
 C  -2.92132129  -1.47270843  -1.64583308
 C  -2.59191464  -0.16381382  -1.36324124
 C  -1.33792002   0.15970177  -0.78081045
 C  -0.41296780  -0.90328771  -0.49372116
 C   0.86576395  -0.57906488   0.03287709
 C  -0.96026984   1.49821815  -0.49094524
 C   0.29126716   1.79752421   0.00384257
 C   1.19090411   0.73902206   0.22986080
 O   2.50805705   1.09557877   0.65991555
Al   3.20247825   1.51661733   2.47651112
Cl   2.20157227   3.33607055   2.93664439
Cl   2.66979171  -0.22087864   3.58972306
Cl   5.24959037   1.61126505   1.85060946
 H  -0.09429742  -3.05051380  -0.53719378
 H  -2.29774512  -3.55361522  -1.55786302
 H  -3.88542321  -1.70780392  -2.10372038
 H  -3.29090545   0.64625662  -1.59084746
 H   1.58090864  -1.37405836   0.26324224
 H   3.19214120   0.63259698   0.12996290
 H  -1.67284658   2.30390830  -0.68845796
 H   0.60386476   2.82264485   0.21156570
 23
 Energy -2083.293977437 Gradient 0.00078315
 C  -0.80157982  -2.24253539  -0.74949882
 C  -2.01208286  -2.51952782  -1.34890412
 C  -2.90530639  -1.47229788  -1.67969255
 C  -2.58442299  -0.16355230  -1.38642979
 C  -1.34434127   0.16027866  -0.77511494
 C  -0.42554508  -0.90261680  -0.46897632
 C   0.84894993  -0.57711985   0.06659498
 C  -0.96989254   1.49938057  -0.48297741
 C   0.27894622   1.80016388   0.01800498
 C   1.17722756   0.74188816   0.25065527
 O   2.50069530   1.09782857   0.66363447
Al   3.20941387   1.51618200   2.47339180
Cl   2.20223865   3.33440291   2.92482659
Cl   2.67617553  -0.22623713   3.57940125
Cl   5.25757292   1.61384546   1.85343327
 H  -0.10744189  -3.05004997  -0.49949393
 H  -2.28501968  -3.55346268  -1.57477928
 H  -3.85656303  -1.70713679  -2.16384363
 H  -3.27771344   0.64643162  -1.63115237
 H   1.56234625  -1.37134079   0.30477043
 H   3.17392261   0.62540484   0.12833923
 H  -1.68010190   2.30483380  -0.68977282
 H   0.59191604   2.82605519   0.22114291
 23
 Energy -2083.293561578 Gradient 0.00098678
 C  -0.80764809  -2.24163082  -0.72982754
 C  -2.00276806  -2.51923529  -1.35888937
 C  -2.88789658  -1.47225015  -1.71148902
 C  -2.57673959  -0.16355909  -1.40725542
 C  -1.35092376   0.16123321  -0.76829988
 C  -0.43773650  -0.90113486  -0.44446655
 C   0.83231974  -0.57402187   0.09995456
 C  -0.98026271   1.50094720  -0.47326592
 C   0.26597379   1.80358258   0.03349310
 C   1.16333459   0.74572231   0.27198305
 O   2.49349223   1.10020215   0.66648503
Al   3.21729293   1.51490604   2.46938619
Cl   2.20209431   3.33097050   2.91117483
Cl   2.67969175  -0.23070494   3.56894485
Cl   5.26691847   1.61621632   1.85663788
 H  -0.11838834  -3.04841315  -0.46442572
 H  -2.26921085  -3.55317712  -1.59234129
 H  -3.82592679  -1.70730855  -2.22068954
 H  -3.26499777   0.64577768  -1.66782101
 H   1.54443460  -1.36728466   0.34506635
 H   3.15473436   0.61765308   0.12557861
 H  -1.68851945   2.30591945  -0.68847130
 H   0.57880943   2.83026144   0.23266389
 23
 Energy -2083.293037226 Gradient 0.00132245
 C  -0.81134341  -2.23955661  -0.71237937
 C  -1.99133166  -2.51902294  -1.36820685
 C  -2.86989024  -1.47302856  -1.73963337
 C  -2.56896372  -0.16384285  -1.42657605
 C  -1.35719825   0.16321139  -0.76243400
 C  -0.44948792  -0.89831370  -0.42147022
 C   0.81504994  -0.56981360   0.13358096
 C  -0.99079446   1.50359441  -0.46361447
 C   0.25231775   1.80793997   0.05046985
 C   1.14856917   0.75029388   0.29465555
 O   2.48599475   1.10129601   0.66987812
Al   3.22623329   1.51266803   2.46395350
Cl   2.20138507   3.32510888   2.89653297
Cl   2.68055169  -0.23376948   3.55857668
Cl   5.27753133   1.61889652   1.85984061
 H  -0.12555895  -3.04462770  -0.43319596
 H  -2.25045292  -3.55315159  -1.60893176
 H  -3.79547115  -1.70925719  -2.27062824
 H  -3.25325496   0.64398695  -1.70185799
 H   1.52564959  -1.36220086   0.38568223
 H   3.13320471   0.60489293   0.12472574
 H  -1.69702349   2.30812102  -0.68702988
 H   0.56492686   2.83527235   0.24633483
 23
 Energy -2083.292372148 Gradient 0.00200738
 C  -0.80956717  -2.23538000  -0.70028089
 C  -1.97726713  -2.51929362  -1.37496940
 C  -2.85299853  -1.47563653  -1.75932843
 C  -2.56079668  -0.16442659  -1.44496184
 C  -1.36160112   0.16753500  -0.76077484
 C  -0.45969629  -0.89303127  -0.40271848
 C   0.79619617  -0.56382067   0.16796605
 C  -0.99996473   1.50860313  -0.45645150
 C   0.23793810   1.81429936   0.07054222
 C   1.13161985   0.75572651   0.32110299
 O   2.47821401   1.09730397   0.67347800
Al   3.23476232   1.50925780   2.45474227
Cl   2.20099748   3.31628892   2.88238855
Cl   2.67927101  -0.23446103   3.54866709
Cl   5.28785210   1.62203531   1.86298133
 H  -0.12385971  -3.03678928  -0.41058659
 H  -2.22885484  -3.55405802  -1.62079144
 H  -3.76980766  -1.71509376  -2.30391827
 H  -3.24329079   0.64019282  -1.73377751
 H   1.50473145  -1.35565326   0.42768263
 H   3.10545124   0.57105968   0.13312707
 H  -1.70359028   2.31290630  -0.68883048
 H   0.54986426   2.84196106   0.26554992
 23
 Energy -2083.291414659 Gradient 0.00325102
 C  -0.80013842  -2.22974245  -0.69620512
 C  -1.96176251  -2.52008018  -1.37713564
 C  -2.83928592  -1.47971201  -1.76622755
 C  -2.55145551  -0.16494589  -1.46112006
 C  -1.36112921   0.17394356  -0.76566866
 C  -0.46543621  -0.88596439  -0.39197857
 C   0.77656317  -0.55531523   0.20120090
 C  -1.00642588   1.51588123  -0.45341038
 C   0.22338482   1.82420831   0.09251515
 C   1.11226628   0.76314859   0.35069172
 O   2.47008389   1.08451943   0.67591149
Al   3.24000194   1.50469341   2.43974064
Cl   2.20186302   3.30586823   2.87127137
Cl   2.67698238  -0.23271329   3.54040961
Cl   5.29551349   1.62530087   1.86626242
 H  -0.11073067  -3.02574966  -0.40060252
 H  -2.20801145  -3.55591759  -1.62374945
 H  -3.75403560  -1.72431045  -2.31201781
 H  -3.23476394   0.63514418  -1.76040904
 H   1.48321433  -1.34571950   0.47054504
 H   3.06837298   0.50490872   0.15757982
 H  -1.70836099   2.31900682  -0.69477607
 H   0.53303419   2.85209322   0.28962024
 23
 Energy -2083.289871788 Gradient 0.00508796
 C  -0.78598947  -2.22578184  -0.69839085
 C  -1.94813862  -2.52062309  -1.37531554
 C  -2.82912054  -1.48254523  -1.76316836
 C  -2.54063505  -0.16482864  -1.47192048
 C  -1.35361773   0.17936301  -0.77570327
 C  -0.46384320  -0.88039204  -0.39028983
 C   0.75844335  -0.54373094   0.23071525
 C  -1.01082305   1.52257452  -0.45335396
 C   0.20891102   1.83873270   0.11225770
 C   1.09205429   0.77415059   0.37748938
 O   2.46229998   1.06399162   0.67704055
Al   3.24105007   1.49948614   2.41968801
Cl   2.20352347   3.29673688   2.86459053
Cl   2.67463289  -0.23033273   3.53508805
Cl   5.30012450   1.62823456   1.86950678
 H  -0.09354593  -3.01761949  -0.39884716
 H  -2.19439234  -3.55739070  -1.61780728
 H  -3.74776879  -1.73160661  -2.30020283
 H  -3.22639649   0.63174600  -1.77474185
 H   1.46445771  -1.32987907   0.51509042
 H   3.02178215   0.41265854   0.20196152
 H  -1.71614074   2.32087156  -0.70089560
 H   0.51225384   2.86751973   0.31410360
 23
 Energy -2083.287431692 Gradient 0.00812471
 C  -0.77212718  -2.22522428  -0.70257896
 C  -1.93895536  -2.51974676  -1.37172988
 C  -2.82238648  -1.48274564  -1.75769283
 C  -2.52935620  -0.16463952  -1.47558316
 C  -1.33991268   0.18068878  -0.78692543
 C  -0.45376950  -0.87858625  -0.39608138
 C   0.74373565  -0.52875998   0.25577224
 C  -1.01422952   1.52580135  -0.45402004
 C   0.19440409   1.85798252   0.12822018
 C   1.07309776   0.79033845   0.39858262
 O   2.45580605   1.03885318   0.67615520
Al   3.23983235   1.49401826   2.39740302
Cl   2.20484596   3.29081986   2.86159215
Cl   2.67245650  -0.22906135   3.53282764
Cl   5.30275535   1.63053838   1.87230597
 H  -0.08165277  -3.01723713  -0.39918711
 H  -2.18949474  -3.55723565  -1.60682698
 H  -3.74675175  -1.73346177  -2.28401971
 H  -3.21708930   0.63180619  -1.77415748
 H   1.44890594  -1.30643652   0.56592975
 H   2.96535161   0.30921136   0.26120497
 H  -1.72905773   2.31424798  -0.70583526
 H   0.48616734   2.88915807   0.33409280
 23
 Energy -2083.283633176 Gradient 0.01512878
 C  -0.76227115  -2.22645811  -0.70563530
 C  -1.93457702  -2.51766306  -1.36836237
 C  -2.81981005  -1.48160912  -1.75471529
 C  -2.52057160  -0.16547163  -1.47432877
 C  -1.32482882   0.17787261  -0.79481982
 C  -0.43526307  -0.87928843  -0.40578492
 C   0.73768872  -0.51147669   0.27133112
 C  -1.01549287   1.52444157  -0.45412965
 C   0.18124932   1.87916891   0.14244152
 C   1.05631168   0.81077758   0.41486169
 O   2.44896070   1.01223236   0.67190615
Al   3.23848305   1.48813324   2.37654651
Cl   2.20523830   3.28839475   2.86099095
Cl   2.67056566  -0.22904284   3.53268692
Cl   5.30421130   1.63222716   1.87448402
 H  -0.07732361  -3.02305763  -0.40162487
 H  -2.18903423  -3.55577119  -1.59652394
 H  -3.74771144  -1.73193802  -2.27469357
 H  -3.20790106   0.63391793  -1.76576078
 H   1.42104302  -1.27465235   0.66024306
 H   2.90112698   0.21256963   0.32348528
 H  -1.73882064   2.30235189  -0.71429180
 H   0.46006881   2.91450649   0.34467079
 23
 Energy -2083.277175235 Gradient 0.03167479
 C  -0.75769270  -2.22728891  -0.70721486
 C  -1.93395295  -2.51579824  -1.36670631
 C  -2.82003648  -1.48092458  -1.75428267
 C  -2.51650721  -0.16679128  -1.47209650
 C  -1.31488098   0.17348783  -0.79760633
 C  -0.41580492  -0.88080703  -0.41450686
 C   0.74752141  -0.49859927   0.27298892
 C  -1.01365912   1.52015384  -0.45366855
 C   0.17321889   1.89446255   0.15528248
 C   1.04584543   0.83487489   0.42862439
 O   2.44020860   0.99015901   0.66499171
Al   3.23757943   1.48295847   2.36140601
Cl   2.20490196   3.28838300   2.86157201
Cl   2.66927324  -0.22951180   3.53341454
Cl   5.30494213   1.63329968   1.87586957
 H  -0.07744521  -3.02860401  -0.40537144
 H  -2.19056700  -3.55437510  -1.59118815
 H  -3.74924485  -1.73067978  -2.27251908
 H  -3.20237328   0.63568169  -1.75893181
 H   1.35707019  -1.23547416   0.81140338
 H   2.79827524   0.12672659   0.35603460
 H  -1.73767611   2.29298661  -0.72672548
 H   0.44120938   2.93423274   0.34679174
 23
 Energy -2083.264162446 Gradient 0.05478508
 C  -0.75596243  -2.22662566  -0.70785699
 C  -1.93517729  -2.51470902  -1.36669998
 C  -2.82055898  -1.48151014  -1.75458523
 C  -2.51530822  -0.16729430  -1.47067568
 C  -1.31147651   0.16941337  -0.79758794
 C  -0.40586154  -0.88336201  -0.42107572
 C   0.76780620  -0.49555669   0.26812893
 C  -1.01057824   1.51704805  -0.45299849
 C   0.17058669   1.90008540   0.16416295
 C   1.04890294   0.85678792   0.43947102
 O   2.43231893   0.97865772   0.66045334
Al   3.23655817   1.48013799   2.35311716
Cl   2.20446191   3.28909345   2.86232806
Cl   2.66866337  -0.22991930   3.53406782
Cl   5.30531584   1.63378424   1.87654271
 H  -0.07858716  -3.03106492  -0.40758866
 H  -2.19328024  -3.55286764  -1.59000449
 H  -3.74964582  -1.73022074  -2.27225861
 H  -3.20065523   0.63586563  -1.75594114
 H   1.27237409  -1.19638175   0.95098338
 H   2.60741535   0.05759054   0.33416325
 H  -1.73148074   2.28883437  -0.73758118
 H   0.43284272   2.94337728   0.34665434
 23
 Energy -2083.238322032 Gradient 0.00004963
 C  -0.75471480  -2.22519544  -0.70781920
 C  -1.93637471  -2.51406393  -1.36714995
 C  -2.82047435  -1.48258570  -1.75469550
 C  -2.51469500  -0.16709963  -1.46983336
 C  -1.31092527   0.16648202  -0.79715156
 C  -0.40418892  -0.88613593  -0.42579545
 C   0.78565687  -0.49712549   0.26474384
 C  -1.00830813   1.51628398  -0.45241178
 C   0.16979966   1.90124887   0.16846518
 C   1.06105400   0.86882599   0.44618568
 O   2.42696432   0.98073955   0.66155766
Al   3.23556345   1.47927890   2.34931166
Cl   2.20422092   3.28960656   2.86283660
Cl   2.66845321  -0.23016231   3.53439156
Cl   5.30552928   1.63393531   1.87679808
 H  -0.08107342  -3.03181608  -0.40893492
 H  -2.19694117  -3.55302844  -1.59072603
 H  -3.75187916  -1.73038593  -2.27322917
 H  -3.20148853   0.63600368  -1.75534628
 H   1.20809771  -1.17080352   1.03229530
 H   2.38937178  -0.06655227   0.25795177
 H  -1.72807351   2.28728485  -0.74426722
 H   0.43055853   2.94407488   0.34663569
 23
 Energy -2083.218515706  ZPE 0.147239  G(298.15) 64.02
 C  -0.75294857  -2.22355982  -0.70760514
 C  -1.93672940  -2.51338414  -1.36765447
 C  -2.81955044  -1.48351882  -1.75459898
 C  -2.51372134  -0.16665300  -1.46904717
 C  -1.31055060   0.16440327  -0.79669733
 C  -0.40449136  -0.88806596  -0.42931060
 C   0.80030961  -0.49911646   0.26325496
 C  -1.00645284   1.51677296  -0.45165783
 C   0.16907315   1.90236131   0.17063712
 C   1.07531888   0.87545190   0.45095198
 O   2.42218472   0.99166845   0.66639769
Al   3.23490916   1.47942635   2.34732020
Cl   2.20410292   3.29005773   2.86329872
Cl   2.66852426  -0.23016340   3.53455000
Cl   5.30573050   1.63428865   1.87696854
 H  -0.07344634  -3.02724296  -0.41138702
 H  -2.18920953  -3.55269460  -1.59315196
 H  -3.74790108  -1.73122476  -2.27439793
 H  -3.19953150   0.63692771  -1.75245610
 H   1.16827825  -1.14919793   1.08148156
 H   2.20298888  -0.26154642   0.14545763
 H  -1.72604082   2.28858848  -0.74381723
 H   0.42915349   2.94642147   0.35146336
 23
 Energy -2083.236467968 Gradient 0.00004963
 C  -0.75110706  -2.22174793  -0.70740689
 C  -1.93720576  -2.51276673  -1.36828725
 C  -2.81854628  -1.48464487  -1.75448873
 C  -2.51261018  -0.16607476  -1.46815152
 C  -1.31021756   0.16194252  -0.79625858
 C  -0.40551059  -0.88971043  -0.43273448
 C   0.81467582  -0.50297471   0.26220643
 C  -1.00423246   1.51775402  -0.45073626
 C   0.16812063   1.90369208   0.17213392
 C   1.09201432   0.88200245   0.45577476
 O   2.41577604   1.00297879   0.67165352
Al   3.23434034   1.47977143   2.34553243
Cl   2.20401865   3.29047675   2.86377399
Cl   2.66861131  -0.23013609   3.53464801
Cl   5.30591481   1.63462276   1.87712299
 H  -0.06597374  -3.02263920  -0.41370397
 H  -2.18179103  -3.55243655  -1.59548097
 H  -3.74404273  -1.73217123  -2.27561512
 H  -3.19759915   0.63788514  -1.74961500
 H   1.12310106  -1.12555994   1.12889640
 H   2.02576535  -0.45380592   0.02238705
 H  -1.72439837   2.28995287  -0.74225078
 H   0.42718193   2.94870656   0.35700541
 23
 Energy -2083.265412046 Gradient 0.04980444
 C  -0.74996277  -2.21987971  -0.70755616
 C  -1.93860166  -2.51249807  -1.36914596
 C  -2.81820005  -1.48612514  -1.75453819
 C  -2.51177496  -0.16549025  -1.46723293
 C  -1.31034401   0.15854022  -0.79586590
 C  -0.40837438  -0.89117279  -0.43580130
 C   0.82585340  -0.51092175   0.26151455
 C  -1.00121412   1.51857836  -0.44973510
 C   0.16766752   1.90454844   0.17350516
 C   1.11328607   0.88824918   0.45919533
 O   2.40619306   1.01500533   0.67783165
Al   3.23375709   1.47994798   2.34342237
Cl   2.20396088   3.29080841   2.86424778
Cl   2.66852055  -0.23020511   3.53468351
Cl   5.30603833   1.63464324   1.87723224
 H  -0.06849402  -3.02285683  -0.41412677
 H  -2.18595343  -3.55302983  -1.59587676
 H  -3.74627945  -1.73261892  -2.27645890
 H  -3.19857120   0.63803041  -1.74939534
 H   1.05701866  -1.09602189   1.17996246
 H   1.87984487  -0.64306033  -0.11890299
 H  -1.72300439   2.28912563  -0.74365448
 H   0.42387413   2.94832225   0.35980886
 23
 Energy -2083.283382259 Gradient 0.04150379
 C  -0.74996768  -2.21805831  -0.70917525
 C  -1.94059041  -2.51268063  -1.37057993
 C  -2.81837968  -1.48753423  -1.75487250
 C  -2.51126954  -0.16515126  -1.46635460
 C  -1.31132194   0.15480320  -0.79510454
 C  -0.41557046  -0.89159616  -0.43644773
 C   0.83316547  -0.52572856   0.25874378
 C  -0.99579440   1.51823055  -0.44808470
 C   0.17010341   1.90364355   0.17614972
 C   1.13961712   0.89106613   0.45441781
 O   2.39513008   1.03397432   0.68882654
Al   3.23347853   1.48042092   2.34079649
Cl   2.20394096   3.29136218   2.86515626
Cl   2.66836383  -0.23011312   3.53459327
Cl   5.30617925   1.63468101   1.87738532
 H  -0.06940821  -3.02180527  -0.41383394
 H  -2.19014103  -3.55267680  -1.59525613
 H  -3.74648885  -1.73270515  -2.27584849
 H  -3.19833636   0.63775748  -1.74855296
 H   0.98119741  -1.05049541   1.22899615
 H   1.76936156  -0.82660454  -0.25165989
 H  -1.71885852   2.28820774  -0.74139907
 H   0.41845080   2.94922480   0.36825502
 23
 Energy -2083.290191685 Gradient 0.01904233
 C  -0.75423537  -2.21751224  -0.71347772
 C  -1.94450989  -2.51412747  -1.37353738
 C  -2.82044489  -1.48801190  -1.75585609
 C  -2.51285638  -0.16518350  -1.46594038
 C  -1.31498639   0.15292851  -0.79297540
 C  -0.42912603  -0.89227720  -0.43239699
 C   0.83760083  -0.54760988   0.24990962
 C  -0.98703628   1.51541540  -0.44506022
 C   0.17896013   1.89495660   0.17812105
 C   1.16426034   0.88365814   0.43112945
 O   2.38826805   1.06625926   0.70746971
Al   3.23434642   1.48234664   2.33903164
Cl   2.20411850   3.29275732   2.86765849
Cl   2.66803298  -0.22947045   3.53398627
Cl   5.30656498   1.63479764   1.87761874
 H  -0.07086557  -3.01875527  -0.41773273
 H  -2.19612379  -3.55391811  -1.59714789
 H  -3.74928653  -1.73174055  -2.27653861
 H  -3.19906115   0.63813862  -1.74932154
 H   0.91693245  -1.00413120   1.26263985
 H   1.70390909  -0.97174555  -0.29091581
 H  -1.71141820   2.28814291  -0.72813770
 H   0.41932887   2.93914134   0.38799669
 23
 Energy -2083.29299563 Gradient 0.00730019
 C  -0.76520325  -2.22068315  -0.72056200
 C  -1.95516539  -2.51618061  -1.38033716
 C  -2.82829204  -1.48652184  -1.75863409
 C  -2.51856375  -0.16467257  -1.46428713
 C  -1.32125756   0.15057069  -0.78849049
 C  -0.43988888  -0.89772461  -0.42964045
 C   0.84277708  -0.56935400   0.24230682
 C  -0.98002228   1.50931047  -0.44039387
 C   0.19441573   1.87482480   0.16878476
 C   1.18573937   0.86799955   0.39963197
 O   2.38532418   1.10355028   0.72288229
Al   3.23743176   1.48811055   2.34248771
Cl   2.20510296   3.29673051   2.87489415
Cl   2.66726621  -0.22750521   3.53202314
Cl   5.30806770   1.63524125   1.87809539
 H  -0.07846754  -3.02173199  -0.43211902
 H  -2.20706141  -3.55488456  -1.60818857
 H  -3.75710166  -1.72594042  -2.28128160
 H  -3.20215958   0.64037829  -1.74883046
 H   0.87147972  -0.96680627   1.28429489
 H   1.69758505  -1.06537491  -0.25039306
 H  -1.70741124   2.28765599  -0.69863458
 H   0.43773568   2.91330484   0.40302774
 23
 Energy -2083.294160096 Gradient 0.00298043
 C  -0.77883706  -2.22874112  -0.73258602
 C  -1.97270244  -2.51615316  -1.39170912
 C  -2.84373515  -1.48224810  -1.76188917
 C  -2.52764878  -0.16442472  -1.45658489
 C  -1.32643593   0.14131900  -0.78271608
 C  -0.44177768  -0.90938142  -0.43365259
 C   0.84831624  -0.58748601   0.24219007
 C  -0.97779101   1.49773347  -0.43766439
 C   0.21104845   1.85549227   0.14233800
 C   1.20317598   0.85367182   0.37740895
 O   2.38704758   1.12448706   0.72543950
Al   3.24149050   1.49861712   2.35076676
Cl   2.20846425   3.30485008   2.89081935
Cl   2.66559407  -0.22310501   3.52813745
Cl   5.31141451   1.63693956   1.87954039
 H  -0.09528835  -3.03637914  -0.45507902
 H  -2.22651754  -3.55284409  -1.62671206
 H  -3.77360204  -1.71423591  -2.28608731
 H  -3.20716687   0.64652140  -1.73421242
 H   0.84328723  -0.94775956   1.29891207
 H   1.70080531  -1.12091019  -0.21335230
 H  -1.71003649   2.27891418  -0.67206118
 H   0.46153795   2.89166226   0.37938985
 23
 Energy -2083.294789791 Gradient 0.00141301
 C  -0.78940076  -2.23850844  -0.74999043
 C  -1.98953642  -2.51577898  -1.40471753
 C  -2.86246911  -1.47825041  -1.75934340
 C  -2.53911598  -0.16546387  -1.44250723
 C  -1.33032609   0.12959226  -0.77764865
 C  -0.44288388  -0.92302934  -0.44029772
 C   0.84986226  -0.60249849   0.23971231
 C  -0.97352021   1.48533294  -0.44344717
 C   0.22663227   1.84340499   0.11042166
 C   1.21427262   0.84162299   0.36197292
 O   2.39178335   1.12251200   0.72440776
Al   3.24351297   1.51056078   2.35607901
Cl   2.21621899   3.31500299   2.91419688
Cl   2.66252263  -0.21599983   3.52355461
Cl   5.31488434   1.64139490   1.88278990
 H  -0.10958228  -3.05343133  -0.48502853
 H  -2.24636106  -3.54994891  -1.64760155
 H  -3.79655982  -1.70313332  -2.27906014
 H  -3.21617829   0.65192238  -1.70687269
 H   0.83162553  -0.94728161   1.30153927
 H   1.70058591  -1.15097814  -0.20039352
 H  -1.70746797   2.26711586  -0.67004970
 H   0.48313058   2.88142874   0.33269087
 23
 Energy -2083.295173404 Gradient 0.00082822
 C  -0.79590928  -2.24606111  -0.76927454
 C  -2.00330182  -2.51732103  -1.41438701
 C  -2.88181326  -1.47765228  -1.74820377
 C  -2.55250458  -0.16767091  -1.42660032
 C  -1.33420504   0.12152011  -0.77675587
 C  -0.44482491  -0.93346271  -0.45072825
 C   0.85142917  -0.61590117   0.22758225
 C  -0.96595786   1.47713718  -0.45669565
 C   0.24105832   1.83297703   0.08288106
 C   1.22191586   0.82869169   0.34858857
 O   2.39460659   1.10959280   0.72664713
Al   3.24340664   1.51971211   2.35782939
Cl   2.22889562   3.32397948   2.93891981
Cl   2.65766261  -0.20752423   3.52081654
Cl   5.31624248   1.64963924   1.88722958
 H  -0.11449000  -3.06418071  -0.51837071
 H  -2.26194972  -3.54936923  -1.66433035
 H  -3.82278543  -1.69828420  -2.25722719
 H  -3.23060109   0.65292937  -1.67809646
 H   0.83044544  -0.95776033   1.29028702
 H   1.70009727  -1.16962598  -0.21003125
 H  -1.69686147   2.26161449  -0.68382847
 H   0.50399994   2.87190183   0.29329381
 23
 Energy -2083.295412716 Gradient 0.00049946
 C  -0.80041822  -2.25208200  -0.78957217
 C  -2.01779808  -2.51966704  -1.41775156
 C  -2.90209152  -1.47848437  -1.73089337
 C  -2.56514408  -0.17004640  -1.41129573
 C  -1.33563112   0.11555430  -0.78098167
 C  -0.44401454  -0.94134615  -0.46798667
 C   0.85744416  -0.62775739   0.20438096
 C  -0.95839476   1.47064730  -0.47037957
 C   0.25283957   1.82348990   0.06141834
 C   1.22878674   0.81696357   0.33581852
 O   2.39643663   1.09622692   0.73045248
Al   3.24223030   1.52485279   2.36081071
Cl   2.24419702   3.33157826   2.96001729
Cl   2.65096130  -0.20033428   3.52272197
Cl   5.31537550   1.66075955   1.89106040
 H  -0.11665920  -3.07225974  -0.55200829
 H  -2.28047113  -3.55043347  -1.66880880
 H  -3.85215833  -1.69650200  -2.22388860
 H  -3.24558728   0.65252916  -1.64965706
 H   0.84244853  -0.97943908   1.26373767
 H   1.70363219  -1.17741927  -0.24328920
 H  -1.68691925   2.25756671  -0.69665628
 H   0.51950852   2.86247708   0.26699910
 23
 Energy -2083.295534697 Gradient 0.00028457
 C  -0.80287585  -2.25653602  -0.81079972
 C  -2.03253328  -2.52137198  -1.41617050
 C  -2.92197396  -1.47875408  -1.70919893
 C  -2.57616345  -0.17129378  -1.39527570
 C  -1.33476320   0.11131779  -0.78720085
 C  -0.43955943  -0.94719997  -0.49043435
 C   0.86997340  -0.63749616   0.16968790
 C  -0.95172237   1.46526279  -0.47914256
 C   0.26197284   1.81521740   0.04874798
 C   1.23621308   0.80729789   0.32332571
 O   2.39845558   1.08410788   0.73505941
Al   3.24007065   1.52708739   2.36535343
Cl   2.25757602   3.33853969   2.97409993
Cl   2.64366364  -0.19436352   3.52959110
Cl   5.31272643   1.67038672   1.89375607
 H  -0.11658025  -3.07849594  -0.58706627
 H  -2.30133463  -3.55140323  -1.66374239
 H  -3.88233367  -1.69472159  -2.18276459
 H  -3.25952687   0.65285698  -1.61939069
 H   0.87186051  -1.01153527   1.22095066
 H   1.71296598  -1.17250460  -0.30185515
 H  -1.68012952   2.25388413  -0.69979097
 H   0.52901723   2.85340715   0.25808720
 23
 Energy -2083.295597979 Gradient 0.00013940
 C  -0.80206732  -2.25787524  -0.83613734
 C  -2.04324157  -2.51932261  -1.41917640
 C  -2.93813376  -1.47510862  -1.68891594
 C  -2.58563642  -0.16941668  -1.37506653
 C  -1.33346609   0.10947061  -0.78758553
 C  -0.43325078  -0.95067410  -0.51308270
 C   0.88539797  -0.64625624   0.13212628
 C  -0.94755347   1.46100967  -0.47249419
 C   0.26850914   1.80695752   0.05251757
 C   1.24442812   0.79751880   0.31513173
 O   2.40350502   1.06939694   0.73862197
Al   3.23849624   1.52768752   2.36973242
Cl   2.26133730   3.34375398   2.97317061
Cl   2.63877003  -0.18753384   3.54015385
Cl   5.31042653   1.67578572   1.89644120
 H  -0.11228006  -3.08138519  -0.62936848
 H  -2.31715420  -3.54804703  -1.66658814
 H  -3.90780013  -1.68838178  -2.14440510
 H  -3.27295807   0.65610206  -1.58133255
 H   0.90889777  -1.04901729   1.17184473
 H   1.72384838  -1.16099232  -0.36972650
 H  -1.67805573   2.25114481  -0.68040686
 H   0.53412153   2.84312612   0.27357497
 23
 Energy -2083.295622695 Gradient 0.00007068
 C  -0.80185026  -2.25750830  -0.86332196
 C  -2.05032972  -2.51284776  -1.43327297
 C  -2.94870520  -1.46589478  -1.67974403
 C  -2.59247416  -0.16362427  -1.35588104
 C  -1.33349588   0.10897056  -0.78017190
 C  -0.42986269  -0.95402061  -0.52923355
 C   0.89525139  -0.65731216   0.10625071
 C  -0.94541228   1.45643181  -0.45024829
 C   0.27340670   1.79609959   0.07260188
 C   1.25158679   0.78379255   0.31475689
 O   2.41183384   1.04709391   0.74061639
Al   3.23807252   1.52919304   2.36984459
Cl   2.25648350   3.34812439   2.95841367
Cl   2.63853823  -0.17794735   3.55163839
Cl   5.31095514   1.67897192   1.90116844
 H  -0.10942049  -3.08306194  -0.67430437
 H  -2.32738474  -3.53884037  -1.68838939
 H  -3.92414941  -1.67434449  -2.12500257
 H  -3.28264245   0.66383758  -1.54398725
 H   0.93172829  -1.08152830   1.13663144
 H   1.72955726  -1.15811770  -0.41641904
 H  -1.67778010   2.24889551  -0.64226662
 H   0.53873082   2.82908027   0.30864873
 23
 Energy -2083.295693643 Gradient 0.00009106
 C  -0.80373720  -2.25696220  -0.88934171
 C  -2.05644599  -2.50483590  -1.45322544
 C  -2.95624833  -1.45459647  -1.67965236
 C  -2.59741016  -0.15664780  -1.34150631
 C  -1.33441736   0.10828646  -0.77095960
 C  -0.42928315  -0.95797665  -0.54093247
 C   0.89997420  -0.66998815   0.08983358
 C  -0.94451259   1.45098522  -0.42383032
 C   0.27672658   1.78343680   0.09813993
 C   1.25676846   0.76800436   0.31892858
 O   2.41975045   1.02242495   0.74316825
Al   3.23868038   1.53050738   2.36914323
Cl   2.25051063   3.35233326   2.93895678
Cl   2.64156368  -0.16731892   3.56449164
Cl   5.31241028   1.68321327   1.90542558
 H  -0.11007546  -3.08493694  -0.71599699
 H  -2.33570348  -3.52744367  -1.71931288
 H  -3.93497680  -1.65710336  -2.12044682
 H  -3.28887324   0.67322488  -1.51371186
 H   0.94211699  -1.10975759   1.11322424
 H   1.73110369  -1.16226535  -0.44577260
 H  -1.67791491   2.24603230  -0.60053294
 H   0.54260334   2.81281071   0.34907201
 23
 Energy -2083.295812526 Gradient 0.00011182
 C  -0.80546790  -2.25571467  -0.91556015
 C  -2.06185770  -2.49612600  -1.47451547
 C  -2.96280222  -1.44292733  -1.68190166
 C  -2.60182118  -0.14934917  -1.32940459
 C  -1.33552318   0.10800104  -0.76282197
 C  -0.42915817  -0.96133161  -0.55275196
 C   0.90343052  -0.68239616   0.07464903
 C  -0.94390563   1.44566705  -0.39822365
 C   0.27928454   1.77049208   0.12402171
 C   1.26069999   0.75209466   0.32460550
 O   2.42593643   0.99792595   0.74800529
Al   3.23962609   1.53093687   2.36970252
Cl   2.24446431   3.35561264   2.91976119
Cl   2.64649276  -0.15717615   3.57964503
Cl   5.31320096   1.68836752   1.90701446
 H  -0.11059013  -3.08571921  -0.75716894
 H  -2.34324498  -3.51515951  -1.75179298
 H  -3.94422827  -1.63989252  -2.11913535
 H  -3.29430777   0.68260316  -1.48652928
 H   0.95040379  -1.13820003   1.09050088
 H   1.73182392  -1.16587682  -0.47332117
 H  -1.67793301   2.24321870  -0.56049734
 H   0.54582302   2.79591480   0.39019515
 23
 Energy -2083.295859569 Gradient 0.00014084
 C  -0.80857964  -2.25440394  -0.94207869
 C  -2.06815205  -2.48734884  -1.49689788
 C  -2.96951263  -1.43110004  -1.68583371
 C  -2.60578543  -0.14232536  -1.31871919
 C  -1.33641168   0.10722552  -0.75554153
 C  -0.42950271  -0.96501256  -0.56463241
 C   0.90635552  -0.69474296   0.05993162
 C  -0.94265351   1.43961485  -0.37394842
 C   0.28228322   1.75716348   0.14876570
 C   1.26445629   0.73599280   0.33061074
 O   2.43171834   0.97263404   0.75394853
Al   3.24017616   1.53168032   2.37039280
Cl   2.23877703   3.35883021   2.90205001
Cl   2.65266940  -0.14622898   3.59600233
Cl   5.31358337   1.69359900   1.90795750
 H  -0.11347154  -3.08679990  -0.79807216
 H  -2.35154091  -3.50274117  -1.78531178
 H  -3.95355598  -1.62171190  -2.12007337
 H  -3.29879392   0.69187631  -1.46121837
 H   0.95736280  -1.16640706   1.06800345
 H   1.73214035  -1.16916112  -0.49959137
 H  -1.67695392   2.23960704  -0.52237561
 H   0.54943558   2.77871029   0.42902993
 23
 Energy -2083.295949491 Gradient 0.00015874
 C  -0.81158399  -2.25295610  -0.96893571
 C  -2.07432614  -2.47858256  -1.51963322
 C  -2.97621444  -1.41976231  -1.69035081
 C  -2.61002151  -0.13582865  -1.30886112
 C  -1.33770093   0.10615076  -0.74911590
 C  -0.43008740  -0.96859053  -0.57713323
 C   0.90897144  -0.70676891   0.04441623
 C  -0.94195625   1.43325409  -0.35122510
 C   0.28449617   1.74365686   0.17207281
 C   1.26721965   0.72002151   0.33657240
 O   2.43554032   0.94839799   0.76161635
Al   3.24102045   1.53194709   2.37186066
Cl   2.23395185   3.36207167   2.88473718
Cl   2.66002784  -0.13500985   3.61406132
Cl   5.31374033   1.69883908   1.90824574
 H  -0.11600507  -3.08730832  -0.83939912
 H  -2.35973007  -3.49017217  -1.81914061
 H  -3.96265435  -1.60453396  -2.12161169
 H  -3.30351976   0.70027485  -1.43697055
 H   0.96509068  -1.19542800   1.04366932
 H   1.73216472  -1.17072465  -0.52775220
 H  -1.67651463   2.23537360  -0.48656709
 H   0.55231650   2.76118015   0.46618713
 23
 Energy -2083.296047704 Gradient 0.00017571
 C  -0.81491611  -2.25104504  -0.99554190
 C  -2.08057709  -2.46970780  -1.54230714
 C  -2.98290410  -1.40859106  -1.69550907
 C  -2.61435453  -0.12941863  -1.30036170
 C  -1.33928360   0.10533518  -0.74400063
 C  -0.43125448  -0.97165877  -0.59003407
 C   0.91097849  -0.71848942   0.02855657
 C  -0.94147889   1.42693961  -0.32988355
 C   0.28620174   1.72989914   0.19480467
 C   1.26897475   0.70382861   0.34321646
 O   2.43801288   0.92349228   0.77091502
Al   3.24182314   1.53223014   2.37355360
Cl   2.23032734   3.36533923   2.86862722
Cl   2.66843431  -0.12316308   3.63340694
Cl   5.31361482   1.70338129   1.90701533
 H  -0.11896782  -3.08711501  -0.87938769
 H  -2.36795478  -3.47757837  -1.85233865
 H  -3.97167120  -1.58783964  -2.12382287
 H  -3.30833122   0.70831137  -1.41457936
 H   0.97307794  -1.22567718   1.01776781
 H   1.73118979  -1.17024026  -0.55744658
 H  -1.67593302   2.23116679  -0.45247487
 H   0.55474453   2.74313589   0.50286422
 23
 Energy -2083.296174021 Gradient 0.00019791
 C  -0.81789364  -2.24952478  -1.02216665
 C  -2.08633745  -2.46150103  -1.56524666
 C  -2.98913659  -1.39855994  -1.70162867
 C  -2.61836535  -0.12428227  -1.29297437
 C  -1.34076166   0.10332811  -0.73949186
 C  -0.43202722  -0.97518507  -0.60309291
 C   0.91315724  -0.72940507   0.01252153
 C  -0.94137746   1.41922479  -0.30958641
 C   0.28679347   1.71595961   0.21726146
 C   1.27042569   0.68836840   0.35039987
 O   2.43984621   0.89940355   0.78132999
Al   3.24248801   1.53300684   2.37606205
Cl   2.22708109   3.36911360   2.85346818
Cl   2.67742070  -0.11040938   3.65398927
Cl   5.31281959   1.70757687   1.90408623
 H  -0.12165353  -3.08708494  -0.91957470
 H  -2.37547573  -3.46559402  -1.88565054
 H  -3.97995533  -1.57254071  -2.12731144
 H  -3.31262214   0.71493035  -1.39376994
 H   0.98181580  -1.25545576   0.99088885
 H   1.73084518  -1.16769114  -0.58735890
 H  -1.67578371   2.22520310  -0.42045000
 H   0.55184901   2.72621173   0.53800874
 23
 Energy -2083.296297997 Gradient 0.00020482
 C  -0.82019556  -2.24763071  -1.04855466
 C  -2.09099875  -2.45358480  -1.58842103
 C  -2.99444153  -1.38923178  -1.70832854
 C  -2.62206159  -0.11976072  -1.28622496
 C  -1.34228725   0.10160137  -0.73531684
 C  -0.43288281  -0.97825758  -0.61605250
 C   0.91522780  -0.74044726  -0.00324631
 C  -0.94211666   1.41221640  -0.28937160
 C   0.28689314   1.70152322   0.23952068
 C   1.27064622   0.67217111   0.35784667
 O   2.43996448   0.87648350   0.79229200
Al   3.24293956   1.53348225   2.37861482
Cl   2.22444069   3.37292918   2.83854476
Cl   2.68681305  -0.09710194   3.67542573
Cl   5.31163635   1.71140389   1.90017298
 H  -0.12339223  -3.08623544  -0.95854066
 H  -2.38145248  -3.45398345  -1.91908889
 H  -3.98713367  -1.55831687  -2.13166031
 H  -3.31701291   0.72036180  -1.37383805
 H   0.99109883  -1.28613629   0.96330140
 H   1.73005885  -1.16406200  -0.61748829
 H  -1.67689111   2.21944492  -0.38812625
 H   0.55533286   2.70612830   0.57517903
 23
 Energy -2083.296431655 Gradient 0.00022336
 C  -0.82307954  -2.24514796  -1.07480250
 C  -2.09616273  -2.44493279  -1.61165732
 C  -2.99995976  -1.37928073  -1.71536774
 C  -2.62583191  -0.11482534  -1.27977364
 C  -1.34397186   0.10007917  -0.73129834
 C  -0.43401257  -0.98098211  -0.62893175
 C   0.91698557  -0.75077582  -0.01920608
 C  -0.94253047   1.40505334  -0.26992514
 C   0.28716276   1.68735190   0.26083551
 C   1.27095197   0.65641890   0.36509032
 O   2.43964509   0.85309198   0.80465806
Al   3.24349497   1.53336198   2.38167767
Cl   2.22268772   3.37650886   2.82419124
Cl   2.69641731  -0.08377988   3.69750361
Cl   5.31010869   1.71451391   1.89511691
 H  -0.12588319  -3.08468268  -0.99775810
 H  -2.38805604  -3.44140079  -1.95269334
 H  -3.99438992  -1.54334851  -2.13655290
 H  -3.32120360   0.72617796  -1.35458330
 H   1.00031226  -1.31562581   0.93512887
 H   1.72900464  -1.15940056  -0.64746614
 H  -1.67736731   2.21360215  -0.35706588
 H   0.55605681   2.68728601   0.61003417
 23
 Energy -2083.296571178 Gradient 0.00023213
 C  -0.82560125  -2.24244847  -1.10108851
 C  -2.10087891  -2.43637106  -1.63498942
 C  -3.00533681  -1.36985543  -1.72275192
 C  -2.62966568  -0.11045864  -1.27401898
 C  -1.34575420   0.09822315  -0.72810352
 C  -0.43508787  -0.98345801  -0.64209085
 C   0.91873639  -0.76016191  -0.03535550
 C  -0.94335851   1.39749563  -0.25167983
 C   0.28669822   1.67339950   0.28132765
 C   1.27058939   0.64125263   0.37286558
 O   2.43839308   0.83021094   0.81803731
Al   3.24415549   1.53328130   2.38510480
Cl   2.22121025   3.38002135   2.81078065
Cl   2.70663261  -0.06997358   3.72052307
Cl   5.30838253   1.71681505   1.88892686
 H  -0.12803734  -3.08276880  -1.03624974
 H  -2.39396330  -3.42901009  -1.98607673
 H  -4.00145742  -1.52931226  -2.14174389
 H  -3.32549754   0.73121617  -1.33598984
 H   1.01052485  -1.34497396   0.90560980
 H   1.72771198  -1.15208534  -0.67815109
 H  -1.67835414   2.20701215  -0.32750442
 H   0.55518618   2.66880174   0.64374499
 23
 Energy -2083.296711974 Gradient 0.00023825
 C  -0.82788393  -2.23952098  -1.12693854
 C  -2.10513551  -2.42812617  -1.65809283
 C  -3.01025747  -1.36112624  -1.73049779
 C  -2.63338769  -0.10668005  -1.26890556
 C  -1.34766565   0.09638884  -0.72523658
 C  -0.43615804  -0.98566092  -0.65515267
 C   0.92059616  -0.76888450  -0.05208505
 C  -0.94463007   1.39003280  -0.23400371
 C   0.28563018   1.65938345   0.30153511
 C   1.26970527   0.62624443   0.38052633
 O   2.43623692   0.80813447   0.83190271
Al   3.24442712   1.53323686   2.38860887
Cl   2.22061283   3.38348099   2.79778639
Cl   2.71710753  -0.05537495   3.74414376
Cl   5.30627706   1.71804705   1.88233111
 H  -0.12975318  -3.08018818  -1.07445204
 H  -2.39917861  -3.41690952  -2.01906703
 H  -4.00788103  -1.51624629  -2.14749808
 H  -3.32983502   0.73527927  -1.31869515
 H   1.02205547  -1.37412600   0.87428052
 H   1.72625986  -1.14258451  -0.71007846
 H  -1.67985500   2.20030860  -0.29912446
 H   0.55409051   2.65000383   0.67707487
 23
 Energy -2083.296860456 Gradient 0.00024780
 C  -0.82969013  -2.23641937  -1.15243132
 C  -2.10887848  -2.41998649  -1.68080070
 C  -3.01483670  -1.35279948  -1.73830234
 C  -2.63692527  -0.10332957  -1.26424404
 C  -1.34942965   0.09430672  -0.72288904
 C  -0.43692214  -0.98759111  -0.66837469
 C   0.92266334  -0.77670458  -0.06881916
 C  -0.94600874   1.38221037  -0.21702836
 C   0.28420879   1.64552816   0.32133797
 C   1.26865755   0.61176047   0.38852866
 O   2.43373831   0.78616365   0.84640463
Al   3.24459280   1.53302321   2.39262525
Cl   2.22048837   3.38710256   2.78550330
Cl   2.72752655  -0.04021630   3.76820872
Cl   5.30343772   1.71842893   1.87432466
 H  -0.13103290  -3.07735970  -1.11142225
 H  -2.40374466  -3.40505712  -2.05118222
 H  -4.01391420  -1.50392387  -2.15332127
 H  -3.33401590   0.73874920  -1.30194067
 H   1.03417787  -1.40240021   0.84214765
 H   1.72487444  -1.13088671  -0.74185732
 H  -1.68154505   2.19297349  -0.27145120
 H   0.55166844   2.63154955   0.70966430
 23
 Energy -2083.297019433 Gradient 0.00025629
 C  -0.83135268  -2.23297811  -1.17743858
 C  -2.11225517  -2.41193716  -1.70329446
 C  -3.01908330  -1.34489470  -1.74626884
 C  -2.64043599  -0.10032008  -1.25990127
 C  -1.35137699   0.09238029  -0.72058653
 C  -0.43782294  -0.98918706  -0.68119180
 C   0.92473734  -0.78392023  -0.08594068
 C  -0.94785461   1.37451142  -0.20021166
 C   0.28218167   1.63153969   0.34123636
 C   1.26696518   0.59726463   0.39675123
 O   2.43037161   0.76487879   0.86126150
Al   3.24457163   1.53266330   2.39623874
Cl   2.22086468   3.39064431   2.77398388
Cl   2.73843295  -0.02500945   3.79248824
Cl   5.30049398   1.71840971   1.86547837
 H  -0.13195111  -3.07374814  -1.14815591
 H  -2.40773427  -3.39320958  -2.08308727
 H  -4.01946271  -1.49223410  -2.15947563
 H  -3.33831028   0.74152560  -1.28593584
 H   1.04783241  -1.43052154   0.80817598
 H   1.72314224  -1.11685688  -0.77460187
 H  -1.68373177   2.18561242  -0.24442182
 H   0.54919184   2.61257348   0.74253732
 23
 Energy -2083.297164271 Gradient 0.00025948
 C  -0.83258160  -2.22929726  -1.20263006
 C  -2.11514511  -2.40395155  -1.72603020
 C  -3.02320804  -1.33750734  -1.75458772
 C  -2.64420265  -0.09795034  -1.25588042
 C  -1.35365682   0.09008087  -0.71865620
 C  -0.43862051  -0.99053424  -0.69437858
 C   0.92659629  -0.78990359  -0.10281175
 C  -0.95061750   1.36643609  -0.18388901
 C   0.27907879   1.61800360   0.36055743
 C   1.26447299   0.58373693   0.40499784
 O   2.42584497   0.74423735   0.87694757
Al   3.24465944   1.53206920   2.40016852
Cl   2.22214424   3.39415470   2.76280159
Cl   2.74988443  -0.00956756   3.81696077
Cl   5.29746235   1.71761354   1.85640742
 H  -0.13236945  -3.06977099  -1.18444250
 H  -2.41090886  -3.38152624  -2.11507795
 H  -4.02481197  -1.48144217  -2.16605042
 H  -3.34304363   0.74339665  -1.27013690
 H   1.06144133  -1.45696823   0.77386942
 H   1.72119940  -1.10063464  -0.80634020
 H  -1.68724710   2.17733768  -0.21767547
 H   0.54469256   2.59424997   0.77448544
 23
 Energy -2083.297332594 Gradient 0.00025615
 C  -0.83306654  -2.22518398  -1.22790645
 C  -2.11712612  -2.39606098  -1.74906740
 C  -3.02673071  -1.33071804  -1.76335887
 C  -2.64781452  -0.09610213  -1.25237222
 C  -1.35597191   0.08783970  -0.71703310
 C  -0.43918644  -0.99145573  -0.70750950
 C   0.92838718  -0.79506761  -0.11947370
 C  -0.95386490   1.35844612  -0.16793782
 C   0.27530351   1.60464155   0.37981297
 C   1.26149218   0.57058240   0.41350419
 O   2.42058858   0.72450724   0.89298915
Al   3.24473394   1.53130653   2.40464023
Cl   2.22386203   3.39766298   2.75216290
Cl   2.76128460   0.00610068   3.84160910
Cl   5.29402453   1.71586170   1.84665256
 H  -0.13168863  -3.06483417  -1.22115467
 H  -2.41278797  -3.36981998  -2.14756555
 H  -4.02942147  -1.47163184  -2.17318914
 H  -3.34783510   0.74433194  -1.25513689
 H   1.07497066  -1.48194605   0.73925755
 H   1.71937345  -1.08302370  -0.83705828
 H  -1.69142187   2.16885877  -0.19185253
 H   0.53971796   2.57589974   0.80624896
 23
 Energy -2083.297458568 Gradient 0.00025614
 C  -0.83317820  -2.22086894  -1.25231891
 C  -2.11846548  -2.38841615  -1.77161257
 C  -3.02978800  -1.32447609  -1.77226059
 C  -2.65144415  -0.09474900  -1.24917047
 C  -1.35846687   0.08553913  -0.71541523
 C  -0.43980454  -0.99203773  -0.72010220
 C   0.93058633  -0.79895267  -0.13672635
 C  -0.95740221   1.35044869  -0.15252155
 C   0.27119331   1.59163895   0.39842535
 C   1.25832438   0.55809675   0.42189468
 O   2.41500942   0.70523707   0.90915174
Al   3.24426007   1.53027340   2.40871231
Cl   2.22560010   3.40087347   2.74209292
Cl   2.77337198   0.02218077   3.86668187
Cl   5.29008422   1.71337386   1.83645004
 H  -0.13053593  -3.05951734  -1.25615324
 H  -2.41370727  -3.35857661  -2.17919499
 H  -4.03340221  -1.46267468  -2.18077582
 H  -3.35289518   0.74449670  -1.24083265
 H   1.09181013  -1.50621360   0.70201453
 H   1.71655357  -1.06104130  -0.86991164
 H  -1.69593182   2.16021166  -0.16664249
 H   0.53381440   2.55808125   0.83696755
 23
 Energy -2083.297609124 Gradient 0.00026021
 C  -0.83276127  -2.21626641  -1.27653315
 C  -2.11921766  -2.38093908  -1.79397141
 C  -3.03246334  -1.31880123  -1.78122619
 C  -2.65496942  -0.09387937  -1.24625939
 C  -1.36093310   0.08325671  -0.71410716
 C  -0.44008884  -0.99226783  -0.73279918
 C   0.93264718  -0.80216471  -0.15334630
 C  -0.96131151   1.34245725  -0.13742570
 C   0.26658749   1.57881251   0.41687402
 C   1.25482439   0.54597483   0.43051505
 O   2.40870533   0.68645246   0.92613775
Al   3.24401022   1.52960372   2.41336104
Cl   2.22737924   3.40415295   2.73218384
Cl   2.78564343   0.03852157   3.89157204
Cl   5.28587745   1.70982108   1.82536684
 H  -0.12864257  -3.05351602  -1.29114512
 H  -2.41381057  -3.34739786  -2.21063110
 H  -4.03692135  -1.45460524  -2.18845106
 H  -3.35801122   0.74385107  -1.22709422
 H   1.10679177  -1.52830661   0.66585384
 H   1.71427808  -1.03951603  -0.89987521
 H  -1.70107215   2.15123738  -0.14201920
 H   0.52737473   2.54019175   0.86762569
 23
 Energy -2083.297752363 Gradient 0.00024597
 C  -0.83157974  -2.21118129  -1.30090051
 C  -2.11901431  -2.37315471  -1.81690057
 C  -3.03448093  -1.31320857  -1.79078335
 C  -2.65822966  -0.09324078  -1.24372988
 C  -1.36339940   0.08085773  -0.71271306
 C  -0.44021110  -0.99219501  -0.74513037
 C   0.93444916  -0.80471582  -0.16865374
 C  -0.96568861   1.33420596  -0.12202516
 C   0.26128730   1.56600023   0.43593382
 C   1.25081908   0.53422810   0.43986572
 O   2.40185268   0.66825083   0.94366433
Al   3.24384114   1.52878714   2.41805566
Cl   2.22988815   3.40751935   2.72265048
Cl   2.79729472   0.05492886   3.91605233
Cl   5.28143142   1.70540151   1.81334302
 H  -0.12581556  -3.04684973  -1.32582498
 H  -2.41258593  -3.33593379  -2.24276574
 H  -4.03966127  -1.44687283  -2.19695110
 H  -3.36301034   0.74271592  -1.21372044
 H   1.12089261  -1.54847749   0.63131354
 H   1.71206886  -1.01744026  -0.92697592
 H  -1.70681660   2.14170525  -0.11710366
 H   0.51977697   2.52238840   0.89869080
 23
 Energy -2083.29789461 Gradient 0.00023955
 C  -0.82966329  -2.20576434  -1.32472113
 C  -2.11777014  -2.36543696  -1.83991074
 C  -3.03571446  -1.30808791  -1.80090805
 C  -2.66135897  -0.09309698  -1.24152182
 C  -1.36599888   0.07843819  -0.71107635
 C  -0.44011280  -0.99179762  -0.75684752
 C   0.93633799  -0.80609289  -0.18366429
 C  -0.97070118   1.32594245  -0.10646362
 C   0.25524221   1.55351068   0.45524670
 C   1.24638958   0.52314778   0.44953754
 O   2.39467207   0.65095045   0.96097060
Al   3.24347596   1.52765257   2.42271654
Cl   2.23285350   3.41075657   2.71347568
Cl   2.80884202   0.07155877   3.94041527
Cl   5.27648917   1.70001433   1.80079522
 H  -0.12193204  -3.03936364  -1.36017881
 H  -2.40985358  -3.32436351  -2.27532724
 H  -4.04132563  -1.43984813  -2.20660625
 H  -3.36811146   0.74074834  -1.20119363
 H   1.13653537  -1.56735032   0.59568729
 H   1.70946684  -0.99231715  -0.95384909
 H  -1.71347778   2.13185201  -0.09248336
 H   0.51122627   2.50483963   0.92977517
 23
 Energy -2083.298023963 Gradient 0.00023361
 C  -0.82707168  -2.19990055  -1.34851383
 C  -2.11565688  -2.35762975  -1.86320572
 C  -3.03641106  -1.30331837  -1.81139671
 C  -2.66442818  -0.09343219  -1.23947029
 C  -1.36868695   0.07590218  -0.70934196
 C  -0.43984134  -0.99098628  -0.76840264
 C   0.93806110  -0.80689627  -0.19759286
 C  -0.97631380   1.31739985  -0.09060169
 C   0.24850149   1.54102327   0.47490970
 C   1.24167652   0.51261781   0.45929847
 O   2.38721529   0.63465737   0.97808505
Al   3.24307666   1.52657672   2.42730367
Cl   2.23599814   3.41396756   2.70438565
Cl   2.82042905   0.08850196   3.96454498
Cl   5.27133834   1.69355465   1.78789811
 H  -0.11722360  -3.03123924  -1.39379079
 H  -2.40587343  -3.31276402  -2.30815386
 H  -4.04236209  -1.43349580  -2.21678792
 H  -3.37345121   0.73791359  -1.18864646
 H   1.15013335  -1.58368463   0.56263548
 H   1.70742491  -0.96862763  -0.97729490
 H  -1.72096718   2.12133870  -0.06730666
 H   0.50173382   2.48728472   0.96109368
 23
 Energy -2083.298148748 Gradient 0.00022005
 C  -0.82385564  -2.19371295  -1.37210942
 C  -2.11260081  -2.34961953  -1.88706856
 C  -3.03643322  -1.29872381  -1.82266232
 C  -2.66739375  -0.09414797  -1.23773240
 C  -1.37158410   0.07316579  -0.70721972
 C  -0.43949790  -0.99013294  -0.77917850
 C   0.93918167  -0.80754668  -0.20940075
 C  -0.98256182   1.30859991  -0.07433178
 C   0.24112797   1.52862087   0.49482391
 C   1.23655494   0.50244181   0.46946627
 O   2.37957927   0.61927275   0.99488485
Al   3.24265003   1.52543039   2.43154292
Cl   2.23955834   3.41722149   2.69542309
Cl   2.83188163   0.10595672   3.98831799
Cl   5.26604708   1.68612975   1.77453534
 H  -0.11163771  -3.02238466  -1.42751562
 H  -2.40048677  -3.30065267  -2.34214918
 H  -4.04244522  -1.42740148  -2.22836779
 H  -3.37883764   0.73446337  -1.17690837
 H   1.16138203  -1.59822576   0.53297979
 H   1.70563046  -0.94667189  -0.99662164
 H  -1.72935206   2.11026107  -0.04200418
 H   0.49159175   2.46982908   0.99223728
 23
 Energy -2083.298266464 Gradient 0.00020876
 C  -0.81998924  -2.18720484  -1.39545962
 C  -2.10852696  -2.34140457  -1.91155974
 C  -3.03571036  -1.29434002  -1.83476623
 C  -2.67018501  -0.09531190  -1.23634701
 C  -1.37463112   0.07011222  -0.70469015
 C  -0.43916248  -0.98918224  -0.78915238
 C   0.93999175  -0.80788471  -0.21974285
 C  -0.98935140   1.29934907  -0.05760530
 C   0.23309770   1.51611479   0.51529153
 C   1.23103072   0.49256704   0.48036522
 O   2.37165598   0.60438879   1.01192664
Al   3.24257338   1.52455460   2.43577212
Cl   2.24328286   3.42043369   2.68602769
Cl   2.84267166   0.12363147   4.01126622
Cl   5.26091782   1.67817927   1.76126732
 H  -0.10518740  -3.01298409  -1.46042822
 H  -2.39357229  -3.28820585  -2.37717572
 H  -4.04153507  -1.42166674  -2.24136698
 H  -3.38425842   0.73022080  -1.16550357
 H   1.17190632  -1.61149689   0.50521485
 H   1.70361605  -0.92469106  -1.01349470
 H  -1.73836478   2.09850577  -0.01638823
 H   0.48035549   2.45239338   1.02362655
 23
 Energy -2083.298475994 Gradient 0.00019469
 C  -0.81580793  -2.17997090  -1.41856680
 C  -2.10386419  -2.33241192  -1.93636562
 C  -3.03442328  -1.28933231  -1.84729219
 C  -2.67281537  -0.09618459  -1.23480362
 C  -1.37776777   0.06739881  -0.70132532
 C  -0.43886477  -0.98782173  -0.79844375
 C   0.94043542  -0.80819727  -0.22877662
 C  -0.99660200   1.29021962  -0.03935751
 C   0.22481396   1.50323897   0.53712201
 C   1.22520663   0.48259612   0.49131295
 O   2.36389214   0.59044927   1.02781375
Al   3.24196789   1.52334304   2.43931678
Cl   2.24720455   3.42372651   2.67609920
Cl   2.85360412   0.14106684   4.03338714
Cl   5.25562166   1.66924303   1.74833248
 H  -0.09821187  -3.00246008  -1.49338860
 H  -2.38585148  -3.27460764  -2.41303347
 H  -4.03985221  -1.41511401  -2.25534690
 H  -3.38965922   0.72608008  -1.15437189
 H   1.18077587  -1.62339531   0.48004136
 H   1.70196242  -0.90472589  -1.02747972
 H  -1.74809660   2.08653208   0.01101774
 H   0.47320458   2.43240874   1.05759879
 23
 Energy -2083.298483293 Gradient 0.00018278
 C  -0.81109352  -2.17228031  -1.44174014
 C  -2.09846629  -2.32301891  -1.96185287
 C  -3.03285394  -1.28452718  -1.86044638
 C  -2.67572282  -0.09767095  -1.23334538
 C  -1.38138054   0.06404071  -0.69767185
 C  -0.43853881  -0.98636010  -0.80716211
 C   0.94042823  -0.80783085  -0.23598570
 C  -1.00485950   1.27998160  -0.02098061
 C   0.21514380   1.49063198   0.55909654
 C   1.21915502   0.47388953   0.50312332
 O   2.35616368   0.57757123   1.04382437
Al   3.24186028   1.52249216   2.44306355
Cl   2.25189020   3.42706951   2.66637194
Cl   2.86430610   0.15822857   4.05447986
Cl   5.25048181   1.65945346   1.73513495
 H  -0.09059920  -2.99131551  -1.52625011
 H  -2.37685858  -3.26037782  -2.45003402
 H  -4.03769290  -1.40901749  -2.27035178
 H  -3.39550718   0.72095354  -1.14291049
 H   1.18745809  -1.63351435   0.45797538
 H   1.70064096  -0.88528559  -1.03812208
 H  -1.75909544   2.07305520   0.03847927
 H   0.45615787   2.41656398   1.08912838
 23
 Energy -2083.29858263 Gradient 0.00016899
 C  -0.80554436  -2.16460378  -1.46449877
 C  -2.09185406  -2.31399861  -1.98770445
 C  -3.03048883  -1.28058783  -1.87439792
 C  -2.67858735  -0.10012758  -1.23241753
 C  -1.38533406   0.06010915  -0.69376326
 C  -0.43818383  -0.98507411  -0.81514097
 C   0.93994772  -0.80744637  -0.24152389
 C  -1.01400616   1.26936476  -0.00227653
 C   0.20450837   1.47783180   0.58161902
 C   1.21230696   0.46530121   0.51552970
 O   2.34786313   0.56580785   1.05978119
Al   3.24192106   1.52198868   2.44640377
Cl   2.25697035   3.43068039   2.65681939
Cl   2.87470489   0.17566284   4.07474833
Cl   5.24544509   1.64965423   1.72183820
 H  -0.08175614  -2.97966958  -1.55857178
 H  -2.36604184  -3.24635190  -2.48771073
 H  -4.03445250  -1.40398265  -2.28676590
 H  -3.40164229   0.71455978  -1.13277253
 H   1.19309680  -1.64257601   0.43858956
 H   1.69965704  -0.86718943  -1.04581430
 H  -1.77131563   2.05883526   0.06570490
 H   0.44154264   2.39894620   1.12180714
 23
 Energy -2083.298672498 Gradient 0.00015910
 C  -0.79955201  -2.15638807  -1.48707821
 C  -2.08450649  -2.30427141  -2.01403828
 C  -3.02745318  -1.27616861  -1.88892855
 C  -2.68122319  -0.10257091  -1.23145012
 C  -1.38932767   0.05609141  -0.68909864
 C  -0.43783485  -0.98366466  -0.82241897
 C   0.93926639  -0.80733092  -0.24582275
 C  -1.02367278   1.25808476   0.01791447
 C   0.19351404   1.46436591   0.60527378
 C   1.20547853   0.45681138   0.52781745
 O   2.33995053   0.55507298   1.07460103
Al   3.24179865   1.52174158   2.44925258
Cl   2.26158399   3.43424761   2.64708532
Cl   2.88513745   0.19306126   4.09385225
Cl   5.24046117   1.63921401   1.70907590
 H  -0.07229305  -2.96724532  -1.59048288
 H  -2.35417294  -3.23121652  -2.52639755
 H  -4.03032185  -1.39833027  -2.30432047
 H  -3.40772535   0.70780388  -1.12232884
 H   1.19709663  -1.65077804   0.42205940
 H   1.69889577  -0.85128760  -1.05123972
 H  -1.78431091   2.04347768   0.09517691
 H   0.42686274   2.38017571   1.15606658
 23
 Energy -2083.298765149 Gradient 0.00014227
 C  -0.79291702  -2.14748143  -1.51008988
 C  -2.07632825  -2.29374813  -2.04127601
 C  -3.02395357  -1.27152916  -1.90387969
 C  -2.68387774  -0.10543439  -1.23001648
 C  -1.39347444   0.05153646  -0.68364093
 C  -0.43726641  -0.98220278  -0.82921712
 C   0.93833695  -0.80729981  -0.24854434
 C  -1.03376691   1.24597690   0.03906677
 C   0.18212766   1.45052610   0.62965808
 C   1.19871458   0.44850350   0.54065699
 O   2.33269991   0.54492292   1.08875698
Al   3.24210318   1.52181456   2.45155498
Cl   2.26561669   3.43766067   2.63709145
Cl   2.89461997   0.21038568   4.11190059
Cl   5.23604435   1.62861159   1.69692161
 H  -0.06198449  -2.95369185  -1.62335721
 H  -2.34108841  -3.21480666  -2.56665343
 H  -4.02558646  -1.39236335  -2.32262269
 H  -3.41400206   0.70036089  -1.11141059
 H   1.19918982  -1.65819138   0.40855341
 H   1.69901409  -0.83761524  -1.05362307
 H  -1.79797448   2.02694815   0.12558832
 H   0.41122650   2.36127630   1.19055586
 23
 Energy -2083.298824239 Gradient 0.00012910
 C  -0.78595212  -2.13808868  -1.53285784
 C  -2.06758352  -2.28251135  -2.06880682
 C  -3.02002392  -1.26651741  -1.91907046
 C  -2.68646921  -0.10844247  -1.22835978
 C  -1.39778959   0.04673186  -0.67742015
 C  -0.43682071  -0.98077180  -0.83524508
 C   0.93698130  -0.80782322  -0.24976352
 C  -1.04434306   1.23319930   0.06135966
 C   0.17035128   1.43609633   0.65497304
 C   1.19181008   0.44024105   0.55352662
 O   2.32581557   0.53586387   1.10165357
Al   3.24213910   1.52155744   2.45361219
Cl   2.27040713   3.44099603   2.62635108
Cl   2.90340213   0.22768739   4.12873510
Cl   5.23174592   1.61814634   1.68553289
 H  -0.05116346  -2.93935615  -1.65588644
 H  -2.32710068  -3.19716424  -2.60780609
 H  -4.02024613  -1.38588213  -2.34159521
 H  -3.42037774   0.69239877  -1.10004750
 H   1.19905007  -1.66514445   0.39851143
 H   1.69945634  -0.82685738  -1.05343231
 H  -1.81229533   2.00935355   0.15741145
 H   0.39556354   2.34153819   1.22600215
 23
 Energy -2083.298890399 Gradient 0.00011838
 C  -0.77840257  -2.12822469  -1.55501294
 C  -2.05806833  -2.27091964  -2.09606971
 C  -3.01562480  -1.26163955  -1.93407721
 C  -2.68905514  -0.11195929  -1.22618093
 C  -1.40224376   0.04146860  -0.67036178
 C  -0.43618017  -0.97924811  -0.84036125
 C   0.93565157  -0.80810280  -0.24963845
 C  -1.05536257   1.21974813   0.08449915
 C   0.15815521   1.42149745   0.68086953
 C   1.18504008   0.43248635   0.56697417
 O   2.31930520   0.52787300   1.11451924
Al   3.24319213   1.52193504   2.45602631
Cl   2.27415318   3.44390555   2.61456971
Cl   2.91165779   0.24434092   4.14456133
Cl   5.22763579   1.60788690   1.67345778
 H  -0.03953034  -2.92414178  -1.68789004
 H  -2.31201536  -3.17891012  -2.64882272
 H  -4.01429483  -1.37960132  -2.36065503
 H  -3.42691188   0.68367382  -1.08843596
 H   1.19844205  -1.67113633   0.39076215
 H   1.70035658  -0.81704784  -1.05126282
 H  -1.82730821   1.99069163   0.19010925
 H   0.37895918   2.32177022   1.26171552
 23
 Energy -2083.298946751 Gradient 0.00010865
 C  -0.77097311  -2.11799335  -1.57731076
 C  -2.04868169  -2.25854382  -2.12351696
 C  -3.01132189  -1.25624446  -1.94873823
 C  -2.69169665  -0.11562131  -1.22326532
 C  -1.40674851   0.03578127  -0.66262723
 C  -0.43566904  -0.97799130  -0.84522144
 C   0.93396099  -0.80934465  -0.24887354
 C  -1.06640832   1.20536230   0.10855207
 C   0.14613638   1.40581194   0.70734717
 C   1.17826589   0.42392582   0.58025806
 O   2.31318275   0.51946825   1.12635512
Al   3.24316840   1.52222157   2.45664688
Cl   2.27895372   3.44769627   2.60256691
Cl   2.91932460   0.26132836   4.15905158
Cl   5.22403155   1.59778855   1.66338654
 H  -0.02805806  -2.90838225  -1.72029918
 H  -2.29701238  -3.15925499  -2.69054139
 H  -4.00845685  -1.37248887  -2.37935143
 H  -3.43355276   0.67448493  -1.07556403
 H   1.19583229  -1.67791917   0.38450751
 H   1.70154174  -0.80976318  -1.04768496
 H  -1.84233592   1.97085763   0.22409732
 H   0.36297272   2.30062828   1.29803312
 23
 Energy -2083.299000024 Gradient 0.00009553
 C  -0.76380670  -2.10690723  -1.59993926
 C  -2.03957552  -2.24498096  -2.15127677
 C  -3.00744517  -1.25017837  -1.96305613
 C  -2.69486267  -0.11941001  -1.21932465
 C  -1.41170867   0.02958153  -0.65383216
 C  -0.43547460  -0.97673061  -0.84966044
 C   0.93191671  -0.81098106  -0.24739117
 C  -1.07794495   1.18986858   0.13400556
 C   0.13395352   1.38935014   0.73446921
 C   1.17188931   0.41558789   0.59293379
 O   2.30830018   0.51247493   1.13571632
Al   3.24355117   1.52265404   2.45673855
Cl   2.28489516   3.45180491   2.58866219
Cl   2.92430836   0.27830475   4.17195196
Cl   5.22218656   1.58665032   1.65666755
 H  -0.01673522  -2.89133513  -1.75371847
 H  -2.28224214  -3.13780161  -2.73303942
 H  -4.00304527  -1.36445060  -2.39773533
 H  -3.44071698   0.66493855  -1.06137570
 H   1.19154161  -1.68409168   0.38088702
 H   1.70286212  -0.80547931  -1.04274090
 H  -1.85806039   1.94941673   0.26012593
 H   0.34672715   2.27870386   1.33482070
 23
 Energy -2083.299044991 Gradient 0.00008376
 C  -0.75588866  -2.09490048  -1.62239360
 C  -2.02978679  -2.23056980  -2.17859939
 C  -3.00327019  -1.24406683  -1.97609311
 C  -2.69802902  -0.12388367  -1.21355074
 C  -1.41659033   0.02287361  -0.64357645
 C  -0.43482793  -0.97517693  -0.85349107
 C   0.93040883  -0.81237861  -0.24559773
 C  -1.08950760   1.17330411   0.16133607
 C   0.12205516   1.37219617   0.76268638
 C   1.16634881   0.40767147   0.60532789
 O   2.30489120   0.50692048   1.14314779
Al   3.24459679   1.52348961   2.45650875
Cl   2.28963570   3.45549479   2.57295547
Cl   2.92666149   0.29482169   4.18308510
Cl   5.22157474   1.57552451   1.65136281
 H  -0.00435455  -2.87273170  -1.78751720
 H  -2.26650541  -3.11486526  -2.77563554
 H  -3.99740156  -1.35643038  -2.41460712
 H  -3.44822268   0.65397397  -1.04450323
 H   1.18724024  -1.68966111   0.37830399
 H   1.70491086  -0.80202069  -1.03719998
 H  -1.87408975   1.92624595   0.29884577
 H   0.33081351   2.25579454   1.37283424
 23
 Energy -2083.299085189 Gradient 0.00007294
 C  -0.74773841  -2.08181685  -1.64566609
 C  -2.02033046  -2.21528230  -2.20538352
 C  -2.99965087  -1.23800077  -1.98696411
 C  -2.70146338  -0.12917223  -1.20526186
 C  -1.42122963   0.01543854  -0.63203544
 C  -0.43364701  -0.97335422  -0.85780209
 C   0.93002366  -0.81326399  -0.24572712
 C  -1.10066634   1.15515048   0.19056339
 C   0.11102471   1.35362361   0.79180481
 C   1.16201318   0.39946406   0.61669435
 O   2.30313408   0.50150920   1.14852630
Al   3.24514179   1.52438538   2.45555382
Cl   2.29482904   3.45942704   2.55701929
Cl   2.92654034   0.31032701   4.19224484
Cl   5.22137517   1.56581144   1.64792204
 H   0.00846980  -2.85227726  -1.82351290
 H  -2.25136066  -3.09048529  -2.81785023
 H  -3.99273370  -1.34854230  -2.42831197
 H  -3.45618907   0.64152577  -1.02398790
 H   1.18541680  -1.69523158   0.37239290
 H   1.70706859  -0.79644749  -1.03450519
 H  -1.89001087   1.90063216   0.34088424
 H   0.31571283   2.23094769   1.41228077
 23
 Energy -2083.299121605 Gradient 0.00006452
 C  -0.73947730  -2.06766271  -1.66907191
 C  -2.01149083  -2.19970185  -2.23042427
 C  -2.99704307  -1.23275923  -1.99463813
 C  -2.70557948  -0.13563752  -1.19413250
 C  -1.42581953   0.00766137  -0.61949780
 C  -0.43202218  -0.97071328  -0.86265871
 C   0.93090356  -0.81236215  -0.24853780
 C  -1.11148385   1.13626041   0.22064048
 C   0.10087125   1.33498343   0.82049132
 C   1.15882370   0.39228048   0.62624865
 O   2.30270036   0.49748490   1.15149370
Al   3.24607550   1.52544570   2.45399796
Cl   2.29969134   3.46301802   2.53979214
Cl   2.92319263   0.32520650   4.19952571
Cl   5.22313007   1.55561451   1.64774215
 H   0.02167667  -2.82990532  -1.86070099
 H  -2.23710256  -3.06553217  -2.85804446
 H  -3.98964289  -1.34211373  -2.43736351
 H  -3.46514944   0.62693853  -0.99928303
 H   1.18718323  -1.69931749   0.36230906
 H   1.70900286  -0.78715914  -1.03585815
 H  -1.90588366   1.87336408   0.38492550
 H   0.30158009   2.20558609   1.45158761
 23
 Energy -2083.299155523 Gradient 0.00006062
 C  -0.73152330  -2.05266923  -1.69231755
 C  -2.00367420  -2.18393245  -2.25352692
 C  -2.99555316  -1.22826234  -1.99905745
 C  -2.71017800  -0.14305768  -1.18030054
 C  -1.43017572  -0.00049432  -0.60601059
 C  -0.43010641  -0.96759424  -0.86778203
 C   0.93267787  -0.81064038  -0.25305232
 C  -1.12139430   1.11673244   0.25120856
 C   0.09219794   1.31614420   0.84833976
 C   1.15714441   0.38570426   0.63391802
 O   2.30413095   0.49450517   1.15162259
Al   3.24705229   1.52639319   2.45184983
Cl   2.30473199   3.46649324   2.52149179
Cl   2.91669652   0.33935732   4.20496758
Cl   5.22613757   1.54588703   1.65041133
 H   0.03465643  -2.80596361  -1.89874303
 H  -2.22437768  -3.04020045  -2.89584094
 H  -3.98824072  -1.33694682  -2.44175174
 H  -3.47463052   0.61078168  -0.97106760
 H   1.19051230  -1.70246053   0.35026799
 H   1.71108140  -0.77703940  -1.03953587
 H  -1.92084415   1.84485752   0.43036285
 H   0.28922867   2.17984385   1.48995601
 23
 Energy -2083.299186421 Gradient 0.00005529
 C  -0.72433038  -2.03715570  -1.71474186
 C  -1.99723641  -2.16793035  -2.27431771
 C  -2.99522439  -1.22409656  -2.00026409
 C  -2.71513715  -0.15111518  -1.16378546
 C  -1.43428538  -0.00894028  -0.59128023
 C  -0.42812640  -0.96414553  -0.87268256
 C   0.93527592  -0.80807504  -0.25917331
 C  -1.13028179   1.09656555   0.28267638
 C   0.08508102   1.29698343   0.87590007
 C   1.15692377   0.37979267   0.63985429
 O   2.30766089   0.49298884   1.14827913
Al   3.24821657   1.52749730   2.44878446
Cl   2.30993688   3.46994253   2.50319627
Cl   2.90710291   0.35155176   4.20744932
Cl   5.23045557   1.53721389   1.65545341
 H   0.04669604  -2.78105827  -1.93660806
 H  -2.21367965  -3.01437689  -2.93093650
 H  -3.98848597  -1.33232640  -2.44177886
 H  -3.48435047   0.59344472  -0.93929609
 H   1.19590327  -1.70464998   0.33612226
 H   1.71279387  -0.76554115  -1.04588469
 H  -1.93461922   1.81521174   0.47751869
 H   0.27884399   2.15350387   1.52800509
 23
 Energy -2083.29921477 Gradient 0.00005529
 C  -0.71753740  -2.02119258  -1.73639473
 C  -1.99196707  -2.15274952  -2.29233421
 C  -2.99607412  -1.22157142  -1.99807226
 C  -2.72052124  -0.16043777  -1.14512346
 C  -1.43809381  -0.01750149  -0.57636202
 C  -0.42578837  -0.95990085  -0.87811962
 C   0.93901190  -0.80338766  -0.26787068
 C  -1.13831495   1.07654570   0.31325008
 C   0.07925785   1.27900872   0.90122869
 C   1.15795209   0.37583096   0.64307109
 O   2.31233982   0.49409992   1.14202861
Al   3.24942437   1.52871377   2.44538938
Cl   2.31517882   3.47334234   2.48554315
Cl   2.89472197   0.36150768   4.20728302
Cl   5.23624048   1.52852998   1.66392685
 H   0.05830090  -2.75507065  -1.97425280
 H  -2.20475930  -2.98977874  -2.96208404
 H  -3.99048047  -1.33032716  -2.43686971
 H  -3.49443145   0.57425453  -0.90492492
 H   1.20448012  -1.70451011   0.31859772
 H   1.71435472  -0.75072932  -1.05592555
 H  -1.94762402   1.78495796   0.52432840
 H   0.27001477   2.12838942   1.56342745
 23
 Energy -2083.299254387 Gradient 0.00005626
 C  -0.71116987  -2.00536959  -1.75714168
 C  -1.98763481  -2.13857138  -2.30795491
 C  -2.99756688  -1.22043813  -1.99334678
 C  -2.72574259  -0.17059098  -1.12538410
 C  -1.44120628  -0.02596400  -0.56179864
 C  -0.42309351  -0.95523791  -0.88398807
 C   0.94375149  -0.79737567  -0.27874068
 C  -1.14487702   1.05704804   0.34239259
 C   0.07514475   1.26166366   0.92455969
 C   1.16006006   0.37243996   0.64484824
 O   2.31773588   0.49524944   1.13503206
Al   3.25040284   1.53014751   2.44206276
Cl   2.32024236   3.47675485   2.46804180
Cl   2.88048896   0.37036586   4.20596241
Cl   5.24226431   1.52064479   1.67406141
 H   0.06927354  -2.72896687  -2.01096256
 H  -2.19740981  -2.96654374  -2.98980500
 H  -3.99356052  -1.33038943  -2.42823637
 H  -3.50420395   0.55390671  -0.86934537
 H   1.21632922  -1.70336434   0.29705291
 H   1.71537743  -0.73228373  -1.06938618
 H  -1.95879578   1.75512328   0.56953223
 H   0.26324836   2.10379027   1.59665315
 23
 Energy -2083.299286886 Gradient 0.00005711
 C  -0.70572296  -1.99001828  -1.77665722
 C  -1.98455095  -2.12517543  -2.32150627
 C  -2.99970263  -1.21994911  -1.98689924
 C  -2.73071262  -0.18109289  -1.10491732
 C  -1.44377941  -0.03460566  -0.54729588
 C  -0.42041333  -0.95075575  -0.88974744
 C   0.94897974  -0.79092382  -0.29081423
 C  -1.15011392   1.03742659   0.37073346
 C   0.07244909   1.24416711   0.94680669
 C   1.16302870   0.36895697   0.64564801
 O   2.32401506   0.49630401   1.12691905
Al   3.25115745   1.53153305   2.43817066
Cl   2.32507695   3.48004690   2.45026000
Cl   2.86510310   0.37924945   4.20380920
Cl   5.24868885   1.51382485   1.68565196
 H   0.07880785  -2.70339755  -2.04624156
 H  -2.19207883  -2.94447022  -3.01442880
 H  -3.99750311  -1.33134282  -2.41724962
 H  -3.51321407   0.53326952  -0.83325589
 H   1.23048147  -1.70185909   0.27284190
 H   1.71554688  -0.71173583  -1.08498850
 H  -1.96816650   1.72520312   0.61385337
 H   0.25832993   2.07899627   1.62850965
 23
 Energy -2083.299322331 Gradient 0.00006085
 C  -0.70049981  -1.97475946  -1.79534363
 C  -1.98189953  -2.11244858  -2.33345556
 C  -3.00202606  -1.22050744  -1.97890798
 C  -2.73544982  -0.19238453  -1.08374113
 C  -1.44594664  -0.04340474  -0.53276132
 C  -0.41753446  -0.94603427  -0.89545375
 C   0.95458131  -0.78366151  -0.30347471
 C  -1.15460139   1.01777992   0.39849936
 C   0.07058698   1.22715222   0.96800310
 C   1.16666049   0.36654508   0.64534697
 O   2.33089354   0.49901612   1.11734420
Al   3.25205902   1.53310165   2.43461532
Cl   2.32992199   3.48332864   2.43234840
Cl   2.84806683   0.38691804   4.20035971
Cl   5.25543176   1.50743780   1.69848579
 H   0.08795436  -2.67765405  -2.08061796
 H  -2.18748745  -2.92321845  -3.03691471
 H  -4.00179705  -1.33374966  -2.40417033
 H  -3.52184214   0.51152851  -0.79645610
 H   1.24506655  -1.69903640   0.24846046
 H   1.71586132  -0.69088884  -1.10118516
 H  -1.97666742   1.69486816   0.65755938
 H   0.25435104   2.05464570   1.65908899
 23
 Energy -2083.299358399 Gradient 0.00006425
 C  -0.69560496  -1.95928314  -1.81355593
 C  -1.97970483  -2.09997067  -2.34440893
 C  -3.00450871  -1.22168990  -1.96983211
 C  -2.73989382  -0.20423489  -1.06195363
 C  -1.44765453  -0.05236304  -0.51820325
 C  -0.41455328  -0.94115662  -0.90113627
 C   0.96030688  -0.77595718  -0.31639233
 C  -1.15812359   0.99814447   0.42565035
 C   0.06981324   1.21050056   0.98813175
 C   1.17084401   0.36450770   0.64429656
 O   2.33831134   0.50205898   1.10692709
Al   3.25263762   1.53488516   2.43048288
Cl   2.33462520   3.48679555   2.41555072
Cl   2.83030091   0.39419634   4.19578753
Cl   5.26209410   1.50095287   1.71194128
 H   0.09652358  -2.65137697  -2.11457743
 H  -2.18375210  -2.90227690  -3.05793824
 H  -4.00638412  -1.33721737  -2.38949493
 H  -3.52991977   0.48896749  -0.75904878
 H   1.25992810  -1.69545874   0.22376331
 H   1.71602751  -0.66969151  -1.11759353
 H  -1.98387436   1.66443454   0.70051830
 H   0.25181380   2.03077123   1.68817301
 23
 Energy -2083.299396937 Gradient 0.00006687
 C  -0.69136194  -1.94385745  -1.83118197
 C  -1.97818396  -2.08759726  -2.35454665
 C  -3.00726199  -1.22306065  -1.96016221
 C  -2.74414623  -0.21624594  -1.04010616
 C  -1.44915274  -0.06133217  -0.50381746
 C  -0.41178024  -0.93620702  -0.90672839
 C   0.96595880  -0.76803518  -0.32968602
 C  -1.16102976   0.97844357   0.45225806
 C   0.06959665   1.19375769   1.00767054
 C   1.17520233   0.36263837   0.64280794
 O   2.34568793   0.50560442   1.09609760
Al   3.25355809   1.53667285   2.42620316
Cl   2.33928214   3.49013763   2.39927750
Cl   2.81205780   0.40110353   4.19040764
Cl   5.26909077   1.49481790   1.72596429
 H   0.10409691  -2.62517870  -2.14765630
 H  -2.18098383  -2.88143581  -3.07785082
 H  -4.01125197  -1.34085218  -2.37409309
 H  -3.53748435   0.46617793  -0.72174782
 H   1.27489829  -1.69151925   0.19846356
 H   1.71568839  -0.64820952  -1.13449701
 H  -1.99015149   1.63376907   0.74284116
 H   0.25007354   2.00656872   1.71669090
 23
 Energy -2083.299443438 Gradient 0.00006926
 C  -0.68759817  -1.92843509  -1.84788141
 C  -1.97713866  -2.07550207  -2.36358927
 C  -3.00999806  -1.22454654  -1.95008650
 C  -2.74797903  -0.22809565  -1.01846231
 C  -1.45025491  -0.07002443  -0.48972583
 C  -0.40903146  -0.93102386  -0.91212781
 C   0.97155790  -0.75954367  -0.34302181
 C  -1.16317560   0.95914701   0.47808283
 C   0.07009217   1.17745612   1.02646796
 C   1.17983458   0.36126642   0.64093360
 O   2.35331130   0.50961992   1.08483446
Al   3.25392407   1.53848562   2.42223210
Cl   2.34442567   3.49352495   2.38220853
Cl   2.79357223   0.40729785   4.18472057
Cl   5.27559821   1.48830948   1.74097864
 H   0.11084307  -2.59895326  -2.17947797
 H  -2.17911123  -2.86119202  -3.09595026
 H  -4.01609569  -1.34485835  -2.35814644
 H  -3.54427354   0.44362306  -0.68512082
 H   1.29015478  -1.68665914   0.17296406
 H   1.71499864  -0.62595002  -1.15144788
 H  -1.99531631   1.60361235   0.78391832
 H   0.24921863   1.98280893   1.74422336
 23
 Energy -2083.299488237 Gradient 0.00007822
 C  -0.68430350  -1.91324726  -1.86405418
 C  -1.97656839  -2.06368055  -2.37186233
 C  -3.01281640  -1.22627622  -1.93950857
 C  -2.75144464  -0.23999257  -0.99698776
 C  -1.45098034  -0.07862315  -0.47602356
 C  -0.40636344  -0.92580904  -0.91756407
 C   0.97720725  -0.75076525  -0.35689844
 C  -1.16448555   0.93999482   0.50303422
 C   0.07139399   1.16133516   1.04427007
 C   1.18476426   0.35997367   0.63852595
 O   2.36094544   0.51364158   1.07343020
Al   3.25431067   1.54011711   2.41820521
Cl   2.35005344   3.49702339   2.36558519
Cl   2.77417925   0.41420322   4.17907425
Cl   5.28191441   1.48109906   1.75626070
 H   0.11677878  -2.57314127  -2.21033985
 H  -2.17800662  -2.84131806  -3.11293170
 H  -4.02102030  -1.34906345  -2.34157712
 H  -3.55036633   0.42105839  -0.64888403
 H   1.30594990  -1.68138218   0.14633334
 H   1.71370787  -0.60289729  -1.16912327
 H  -1.99933077   1.57351904   0.82399957
 H   0.24946151   1.95916573   1.77057979
 23
 Energy -2083.299535312 Gradient 0.00008183
 C  -0.68126262  -1.89736140  -1.88032797
 C  -1.97630285  -2.05154866  -2.37989852
 C  -3.01567591  -1.22828159  -1.92839507
 C  -2.75467244  -0.25246018  -0.97490409
 C  -1.45140176  -0.08750006  -0.46211732
 C  -0.40362265  -0.92029194  -0.92310401
 C   0.98285951  -0.74162994  -0.37084060
 C  -1.16519599   0.92049771   0.52796070
 C   0.07332128   1.14507327   1.06181914
 C   1.18992427   0.35873383   0.63605014
 O   2.36871821   0.51751802   1.06216847
Al   3.25488716   1.54159357   2.41401119
Cl   2.35555052   3.50022449   2.34985068
Cl   2.75430537   0.42100325   4.17294165
Cl   5.28810098   1.47443604   1.77084134
 H   0.12227499  -2.54604631  -2.24174196
 H  -2.17748479  -2.82093851  -3.12957528
 H  -4.02604193  -1.35395518  -2.32409746
 H  -3.55602026   0.39745862  -0.61180808
 H   1.32162141  -1.67561404   0.11941686
 H   1.71240400  -0.57947803  -1.18657078
 H  -2.00246778   1.54287659   0.86399323
 H   0.25053935   1.93526304   1.79657865
 23
 Energy -2083.299580334 Gradient 0.00008239
 C  -0.67880081  -1.88115053  -1.89644611
 C  -1.97661633  -2.03911479  -2.38752539
 C  -3.01875079  -1.23017772  -1.91681945
 C  -2.75770334  -0.26484337  -0.95274977
 C  -1.45167125  -0.09616456  -0.44836562
 C  -0.40114282  -0.91442206  -0.92874160
 C   0.98836541  -0.73182408  -0.38549585
 C  -1.16534232   0.90096618   0.55267629
 C   0.07576377   1.12867199   1.07909080
 C   1.19520078   0.35767918   0.63315035
 O   2.37642717   0.52161592   1.05057182
Al   3.25522752   1.54292268   2.40999342
Cl   2.36132723   3.50339826   2.33427145
Cl   2.73492998   0.42702690   4.16648913
Cl   5.29381123   1.46781538   1.78590050
 H   0.12687018  -2.51864604  -2.27274441
 H  -2.17779917  -2.80018179  -3.14566851
 H  -4.03128152  -1.35864511  -2.30603291
 H  -3.56118763   0.37384153  -0.57470354
 H   1.33784005  -1.66907653   0.09086621
 H   1.71014238  -0.55449249  -1.20493259
 H  -2.00479197   1.51191680   0.90393699
 H   0.25235663   1.91071622   1.82259739
 23
 Energy -2083.299631911 Gradient 0.00008733
 C  -0.67691165  -1.86446268  -1.91237074
 C  -1.97748819  -2.02639187  -2.39480469
 C  -3.02197174  -1.23195655  -1.90505709
 C  -2.76054043  -0.27729761  -0.93048068
 C  -1.45171025  -0.10487401  -0.43464789
 C  -0.39879400  -0.90829290  -0.93441991
 C   0.99368556  -0.72176021  -0.40016332
 C  -1.16494724   0.88122897   0.57711667
 C   0.07872566   1.11207941   1.09607294
 C   1.20058676   0.35645042   0.63034245
 O   2.38417280   0.52529989   1.03927827
Al   3.25568507   1.54435479   2.40580822
Cl   2.36680607   3.50623444   2.31867691
Cl   2.71555546   0.43323981   4.15976397
Cl   5.29971927   1.46117372   1.80114449
 H   0.13060499  -2.49041970  -2.30374310
 H  -2.17901490  -2.77909026  -3.16115367
 H  -4.03665328  -1.36344415  -2.28760467
 H  -3.56584888   0.34993670  -0.53747222
 H   1.35388722  -1.66216045   0.06181597
 H   1.70754065  -0.52898102  -1.22303123
 H  -2.00621160   1.48070185   0.94340375
 H   0.25488420   1.88594364   1.84810859
 23
 Energy -2083.299683041 Gradient 0.00008776
 C  -0.67507354  -1.84756087  -1.92813767
 C  -1.97831359  -2.01343679  -2.40194195
 C  -3.02493712  -1.23396766  -1.89301553
 C  -2.76291823  -0.29022421  -0.90806243
 C  -1.45140830  -0.11388374  -0.42078340
 C  -0.39639001  -0.90218941  -0.93985484
 C   0.99901349  -0.71152415  -0.41477989
 C  -1.16401369   0.86096215   0.60163944
 C   0.08215757   1.09504715   1.11306797
 C   1.20617741   0.35522233   0.62752262
 O   2.39197478   0.52932586   1.02793163
Al   3.25609597   1.54590286   2.40156230
Cl   2.37136647   3.50881428   2.30312803
Cl   2.69664720   0.43954427   4.15281287
Cl   5.30524132   1.45494541   1.81618641
 H   0.13406244  -2.46185366  -2.33438981
 H  -2.18024102  -2.75745106  -3.17662365
 H  -4.04171438  -1.36841129  -2.26892060
 H  -3.56984477   0.32531815  -0.50013784
 H   1.37003283  -1.65483183   0.03249751
 H   1.70453947  -0.50307832  -1.24096432
 H  -2.00690724   1.44871020   0.98295573
 H   0.25802451   1.86040745   1.87374031
 23
 Energy -2083.299737049 Gradient 0.00008953
 C  -0.67366244  -1.83010152  -1.94406123
 C  -1.97949746  -2.00039554  -2.40908258
 C  -3.02800186  -1.23637364  -1.88103150
 C  -2.76530436  -0.30381211  -0.88562861
 C  -1.45116787  -0.12329673  -0.40701687
 C  -0.39424497  -0.89577026  -0.94559416
 C   1.00394955  -0.70069352  -0.42967495
 C  -1.16308190   0.83994219   0.62614413
 C   0.08548272   1.07746604   1.13011074
 C   1.21136647   0.35406917   0.62457627
 O   2.39927635   0.53353599   1.01649202
Al   3.25624946   1.54724255   2.39697694
Cl   2.37618920   3.51144377   2.28787386
Cl   2.67925780   0.44691103   4.14673222
Cl   5.31018325   1.44811150   1.83070923
 H   0.13695953  -2.43214331  -2.36540206
 H  -2.18200894  -2.73568057  -3.19190792
 H  -4.04679712  -1.37418595  -2.25017958
 H  -3.57370233   0.29947914  -0.46264400
 H   1.38592709  -1.64669813   0.00247763
 H   1.70104103  -0.47624345  -1.25882061
 H  -2.00747971   1.41533861   1.02259250
 H   0.26112945   1.83384179   1.89968515
 23
 Energy -2083.299788216 Gradient 0.00008854
 C  -0.67238308  -1.81242987  -1.95969509
 C  -1.98068294  -1.98716607  -2.41604889
 C  -3.03088796  -1.23900699  -1.86893688
 C  -2.76734491  -0.31771388  -0.86335157
 C  -1.45071469  -0.13276493  -0.39336662
 C  -0.39214778  -0.88929509  -0.95104157
 C   1.00875760  -0.68959394  -0.44428907
 C  -1.16173455   0.81891258   0.65019163
 C   0.08907819   1.05991921   1.14685119
 C   1.21657144   0.35267393   0.62226694
 O   2.40626755   0.53701421   1.00656624
Al   3.25656217   1.54876079   2.39339761
Cl   2.38173030   3.51418462   2.27133278
Cl   2.66111720   0.45369821   4.14058867
Cl   5.31476140   1.44191662   1.84489461
 H   0.13949967  -2.40212676  -2.39581530
 H  -2.18379081  -2.71343141  -3.20709187
 H  -4.05162749  -1.38016871  -2.23139037
 H  -3.57699637   0.27327232  -0.42560540
 H   1.40206387  -1.63815705  -0.02821923
 H   1.69682993  -0.44822170  -1.27621339
 H  -2.00736686   1.38208735   1.06132271
 H   0.26454758   1.80731926   1.92508725
 23
 Energy -2083.299839488 Gradient 0.00009101
 C  -0.67107661  -1.79467899  -1.97478064
 C  -1.98167801  -1.97401913  -2.42269163
 C  -3.03322731  -1.24162702  -1.85721345
 C  -2.76874326  -0.33154920  -0.84168200
 C  -1.44977572  -0.14219011  -0.38007892
 C  -0.38986734  -0.88267566  -0.95637684
 C   1.01350155  -0.67855264  -0.45824959
 C  -1.15980089   0.79802132   0.67354615
 C   0.09313007   1.04260900   1.16304458
 C   1.22188981   0.35162339   0.61980637
 O   2.41331286   0.54114629   0.99636900
Al   3.25674830   1.55031539   2.38983045
Cl   2.38736511   3.51704553   2.25483038
Cl   2.64190930   0.45998739   4.13378470
Cl   5.31923411   1.43549114   1.86015003
 H   0.14184830  -2.37192229  -2.42535269
 H  -2.18555810  -2.69149542  -3.22152724
 H  -4.05576668  -1.38634934  -2.21313143
 H  -3.57943123   0.24697966  -0.38950795
 H   1.41701912  -1.62930074  -0.05722001
 H   1.69329391  -0.42152402  -1.29227239
 H  -2.00643484   1.34887254   1.09900576
 H   0.26853502   1.78091828   1.94982047
 23
 Energy -2083.299889307 Gradient 0.00009083
 C  -0.66990254  -1.77652713  -1.99031005
 C  -1.98270738  -1.96077030  -2.42968150
 C  -3.03548584  -1.24487140  -1.84561569
 C  -2.76994595  -0.34622242  -0.82025735
 C  -1.44875427  -0.15198787  -0.36715511
 C  -0.38765759  -0.87591130  -0.96206189
 C   1.01814285  -0.66687436  -0.47285624
 C  -1.15771788   0.77659815   0.69640157
 C   0.09726413   1.02524513   1.17844008
 C   1.22713031   0.35100173   0.61667019
 O   2.41993816   0.54616279   0.98585456
Al   3.25660615   1.55199352   2.38630471
Cl   2.39332105   3.52012604   2.23987668
Cl   2.62330282   0.46699772   4.12728299
Cl   5.32316268   1.42786378   1.87533540
 H   0.14393071  -2.34094066  -2.45531487
 H  -2.18735142  -2.66910333  -3.23643004
 H  -4.05976624  -1.39329625  -2.19493234
 H  -3.58151269   0.21954154  -0.35369530
 H   1.43234994  -1.61945084  -0.08729709
 H   1.68898026  -0.39381440  -1.30902275
 H  -2.00522969   1.31467620   1.13621329
 H   0.27272066   1.75430790   1.97367418
 23
 Energy -2083.299938147 Gradient 0.00008579
 C  -0.66913575  -1.75763995  -2.00588947
 C  -1.98404642  -1.94729822  -2.43659106
 C  -3.03781225  -1.24843359  -1.83402138
 C  -2.77116510  -0.36142694  -0.79884298
 C  -1.44781976  -0.16190549  -0.35439680
 C  -0.38574968  -0.86855979  -0.96800484
 C   1.02238265  -0.65385000  -0.48803009
 C  -1.15553903   0.75485468   0.71904099
 C   0.10135268   1.00768056   1.19388211
 C   1.23199991   0.35040031   0.61390268
 O   2.42628812   0.55022408   0.97610447
Al   3.25673895   1.55340562   2.38274350
Cl   2.39932031   3.52289248   2.22504846
Cl   2.60529348   0.47392946   4.12099106
Cl   5.32705415   1.42069014   1.89020190
 H   0.14545622  -2.30862034  -2.48540798
 H  -2.18960016  -2.64648708  -3.25105790
 H  -4.06375350  -1.40106301  -2.17659944
 H  -3.58350331   0.19089013  -0.31776834
 H   1.44866316  -1.60801804  -0.12012051
 H   1.68319625  -0.36253611  -1.32604992
 H  -2.00372927   1.27979115   1.17315488
 H   0.27685208   1.72692021   1.99790706
 23
 Energy -2083.299981307 Gradient 0.00008332
 C  -0.66878199  -1.73853877  -2.02126409
 C  -1.98571050  -1.93375040  -2.44320666
 C  -3.04013438  -1.25214115  -1.82224868
 C  -2.77205720  -0.37670841  -0.77765442
 C  -1.44665102  -0.17166286  -0.34189836
 C  -0.38400194  -0.86098452  -0.97395421
 C   1.02638537  -0.64049576  -0.50338035
 C  -1.15290850   0.73315947   0.74114737
 C   0.10584905   0.99014081   1.20877053
 C   1.23695852   0.34982533   0.61088912
 O   2.43256438   0.55427479   0.96632088
Al   3.25658539   1.55460045   2.37906961
Cl   2.40536743   3.52544040   2.21002614
Cl   2.58774896   0.48164776   4.11520664
Cl   5.33055974   1.41278780   1.90534795
 H   0.14627578  -2.27611110  -2.51503854
 H  -2.19232273  -2.62370604  -3.26524141
 H  -4.06768318  -1.40898050  -2.15802726
 H  -3.58484977   0.16222916  -0.28234444
 H   1.46474066  -1.59596963  -0.15351959
 H   1.67671435  -0.33076730  -1.34304513
 H  -2.00149855   1.24486908   1.20939320
 H   0.28158916   1.69937188   2.02146867
 23
 Energy -2083.300025834 Gradient 0.00008010
 C  -0.66856403  -1.71900078  -2.03666107
 C  -1.98737957  -1.92037134  -2.44977696
 C  -3.04228422  -1.25656839  -1.81067479
 C  -2.77278466  -0.39276408  -0.75680256
 C  -1.44547363  -0.18172589  -0.32988386
 C  -0.38232837  -0.85300311  -0.98019912
 C   1.03025637  -0.62580072  -0.51927662
 C  -1.15028946   0.71128759   0.76252996
 C   0.11010205   0.97269245   1.22311467
 C   1.24157922   0.34963891   0.60791909
 O   2.43817487   0.55830934   0.95775726
Al   3.25654198   1.55593890   2.37627012
Cl   2.41170962   3.52803695   2.19493345
Cl   2.57089561   0.48941759   4.11027620
Cl   5.33350288   1.40443566   1.91964785
 H   0.14682816  -2.24257250  -2.54468377
 H  -2.19512831  -2.60121028  -3.27908911
 H  -4.07131058  -1.41818729  -2.13960635
 H  -3.58590704   0.13215394  -0.24724204
 H   1.48200472  -1.58198003  -0.18918923
 H   1.66892839  -0.29587418  -1.36026793
 H  -1.99917751   1.20941754   1.24463460
 H   0.28609639   1.67159765   2.04454949
 23
 Energy -2083.300062572 Gradient 0.00007469
 C  -0.66846943  -1.69917049  -2.05203836
 C  -1.98894869  -1.90717639  -2.45641686
 C  -3.04424993  -1.26168278  -1.79938721
 C  -2.77341139  -0.40945502  -0.73648661
 C  -1.44437815  -0.19183974  -0.31824368
 C  -0.38091470  -0.84468210  -0.98655403
 C   1.03353845  -0.61037730  -0.53510476
 C  -1.14785594   0.68906972   0.78351333
 C   0.11400644   0.95506926   1.23738733
 C   1.24570504   0.34955179   0.60523214
 O   2.44319279   0.56226874   0.94963915
Al   3.25642982   1.55714521   2.37328054
Cl   2.41833422   3.53064221   2.18016416
Cl   2.55487537   0.49755252   4.10565765
Cl   5.33627370   1.39606933   1.93379520
 H   0.14717984  -2.20855169  -2.57393661
 H  -2.19769424  -2.57883667  -3.29294014
 H  -4.07459412  -1.42838887  -2.12155070
 H  -3.58678264   0.10124034  -0.21301556
 H   1.49877754  -1.56685556  -0.22543837
 H   1.66024631  -0.25963085  -1.37676735
 H  -1.99693872   1.17322903   1.27931529
 H   0.29024757   1.64316266   2.06774264
 23
 Energy -2083.300084927 Gradient 0.00006868
 C  -0.66913910  -1.67882653  -2.06709528
 C  -1.99120847  -1.89345957  -2.46271898
 C  -3.04640426  -1.26646916  -1.78792562
 C  -2.77387514  -0.42591518  -0.71619832
 C  -1.44320514  -0.20172969  -0.30670892
 C  -0.37988681  -0.83607888  -0.99278576
 C   1.03639441  -0.59494281  -0.55073648
 C  -1.14474301   0.66747772   0.80378225
 C   0.11865565   0.93805625   1.25063370
 C   1.25005884   0.34947939   0.60212092
 O   2.44846795   0.56598217   0.94126608
Al   3.25631602   1.55785801   2.37052102
Cl   2.42554247   3.53282798   2.16516259
Cl   2.53865635   0.50597472   4.10141757
Cl   5.33877647   1.38709190   1.94815533
 H   0.14641381  -2.17371397  -2.60285957
 H  -2.20132949  -2.55584389  -3.30625201
 H  -4.07803666  -1.43835617  -2.10322058
 H  -3.58714945   0.07032698  -0.17889543
 H   1.51411665  -1.55153829  -0.26137973
 H   1.65100936  -0.22432239  -1.39282768
 H  -1.99356259   1.13806721   1.31290301
 H   0.29569449   1.61565838   2.08932032
 23
 Energy -2083.30013141 Gradient 0.00006251
 C  -0.66932441  -1.65779153  -2.08268039
 C  -1.99268223  -1.88002487  -2.46977343
 C  -3.04802050  -1.27259219  -1.77748410
 C  -2.77426665  -0.44382363  -0.69694383
 C  -1.44230664  -0.21208434  -0.29601219
 C  -0.37884978  -0.82681208  -0.99955143
 C   1.03890193  -0.57717412  -0.56676200
 C  -1.14291425   0.64501856   0.82352080
 C   0.12144438   0.92076144   1.26428064
 C   1.25279595   0.34967926   0.60024997
 O   2.45169684   0.56897238   0.93590008
Al   3.25652179   1.55866072   2.36854532
Cl   2.43239441   3.53468522   2.14972204
Cl   2.52509101   0.51566055   4.09941808
Cl   5.34089815   1.37758080   1.96026710
 H   0.14624073  -2.13758725  -2.63201902
 H  -2.20367957  -2.53309451  -3.32033275
 H  -4.08063962  -1.45040556  -2.08615473
 H  -3.58754637   0.03725062  -0.14600613
 H   1.53196490  -1.53260484  -0.30065662
 H   1.63994927  -0.18251708  -1.40792562
 H  -1.99186988   1.10091977   1.34560447
 H   0.29848990   1.58694931   2.11194977
 23
 Energy -2083.300150791 Gradient 0.00004814
 C  -0.66855457  -1.63633988  -2.09925603
 C  -1.99274339  -1.86717919  -2.47839900
 C  -3.04846454  -1.28056015  -1.76902100
 C  -2.77424514  -0.46382556  -0.67948119
 C  -1.44143554  -0.22356958  -0.28646939
 C  -0.37759331  -0.81741407  -1.00713465
 C   1.04112310  -0.55827280  -0.58312925
 C  -1.14164770   0.62104575   0.84239848
 C   0.12336210   0.90219182   1.27781048
 C   1.25496026   0.34952665   0.59873675
 O   2.45419635   0.57171986   0.93160710
Al   3.25586303   1.55999553   2.36702217
Cl   2.43887177   3.53699785   2.13448524
Cl   2.51331964   0.52719087   4.09972830
Cl   5.34189886   1.36803644   1.97247471
 H   0.14728800  -2.09994440  -2.66190717
 H  -2.20411655  -2.51075091  -3.33606431
 H  -4.08175138  -1.46508566  -2.07147137
 H  -3.58780156   0.00099068  -0.11517704
 H   1.55020834  -1.51181726  -0.34227957
 H   1.62763594  -0.13792681  -1.42229265
 H  -1.99084024   1.06157471   1.37712341
 H   0.30034650   1.55619206   2.13485412
 23
 Energy -2083.300169636 Gradient 0.00004073
 C  -0.66716828  -1.61459348  -2.11601212
 C  -1.99187223  -1.85379825  -2.48812255
 C  -3.04796673  -1.28831636  -1.76227480
 C  -2.77357126  -0.48404523  -0.66354879
 C  -1.44023734  -0.23542896  -0.27758502
 C  -0.37605780  -0.80824261  -1.01459573
 C   1.04323385  -0.54038708  -0.59795200
 C  -1.14026867   0.59650920   0.86057784
 C   0.12513253   0.88347651   1.29100772
 C   1.25695007   0.34942732   0.59756129
 O   2.45631695   0.57489711   0.92775472
Al   3.25524277   1.56159047   2.36593770
Cl   2.44613169   3.53977253   2.11996297
Cl   2.50003482   0.53959152   4.10007942
Cl   5.34252654   1.35738035   1.98485241
 H   0.14892688  -2.06184499  -2.69140081
 H  -2.20335078  -2.48742988  -3.35314103
 H  -4.08165225  -1.47941262  -2.05921521
 H  -3.58738300  -0.03559981  -0.08649258
 H   1.56607701  -1.49177020  -0.37946365
 H   1.61680981  -0.09735626  -1.43450341
 H  -1.98968322   1.02141908   1.40745202
 H   0.30173517   1.52543361   2.15712048
 23
 Energy -2083.300186982 Gradient 0.00002780
 C  -0.66552998  -1.59321890  -2.13232462
 C  -1.99033361  -1.84034110  -2.49886708
 C  -3.04693035  -1.29573049  -1.75798940
 C  -2.77293780  -0.50410468  -0.65001976
 C  -1.43950453  -0.24752431  -0.26967013
 C  -0.37481859  -0.79959385  -1.02161519
 C   1.04459891  -0.52302685  -0.61113035
 C  -1.13998507   0.57171973   0.87778297
 C   0.12542874   0.86395252   1.30459785
 C   1.25767084   0.34782880   0.59838596
 O   2.45694461   0.57549689   0.92735969
Al   3.25458271   1.56337145   2.36549154
Cl   2.45275558   3.54211762   2.10367781
Cl   2.49024144   0.55492730   4.10389312
Cl   5.34242437   1.34647609   1.99460348
 H   0.15095541  -2.02429186  -2.71937117
 H  -2.20150588  -2.46388878  -3.37125052
 H  -4.08070247  -1.49304941  -2.05054656
 H  -3.58713757  -0.07186467  -0.06128528
 H   1.58150613  -1.47154206  -0.41626881
 H   1.60496013  -0.05605114  -1.44377821
 H  -1.98976573   0.98133164   1.43563440
 H   0.30148789   1.49355185   2.17980065
 23
 Energy -2083.300186623 Gradient 0.00001774
 C  -0.66184392  -1.57473792  -2.14770087
 C  -1.98633633  -1.82848350  -2.51080608
 C  -3.04374408  -1.30254113  -1.75767892
 C  -2.77084491  -0.52280029  -0.64105023
 C  -1.43773757  -0.25959047  -0.26409785
 C  -0.37224825  -0.79297637  -1.02831046
 C   1.04685089  -0.50916252  -0.62170136
 C  -1.13932342   0.54745409   0.89224616
 C   0.12573477   0.84423290   1.31696494
 C   1.25871982   0.34511825   0.59976679
 O   2.45772234   0.57598327   0.92758636
Al   3.25294585   1.56534265   2.36599506
Cl   2.45508358   3.54336925   2.08897864
Cl   2.48175870   0.56981069   4.10916199
Cl   5.34154089   1.34039491   2.00445627
 H   0.15529489  -1.99127022  -2.74427916
 H  -2.19661956  -2.44259880  -3.39007433
 H  -4.07727585  -1.50498960  -2.04754422
 H  -3.58570659  -0.10512838  -0.04276658
 H   1.59498777  -1.45496246  -0.44629666
 H   1.59676294  -0.02230666  -1.45003739
 H  -1.98968311   0.94301957   1.45928827
 H   0.30085171   1.46232646   2.20049628
