%chk=Ensemble.chk
%nprocshared=8
%mem=60GB
#p opt=(noeigentest) iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 2.69247100   10.81558100    1.88913800
 N                  1.90532000   11.89273600    0.21701500
 O                  3.97848700   10.27418700    0.69252100
 O                  1.42700000    9.30057500    1.40322500
 O                  1.37664000   11.57542100    2.94610300
 C                  2.96757200   12.83665900   -0.22879900
 H                  3.16318200   13.50903800    0.61197400
 H                  2.56327200   13.44864100   -1.04701200
 C                  4.25631900   12.19409900   -0.68957800
 C                  4.69224400   10.96262800   -0.17261900
 C                  5.92071200   10.42655500   -0.62364600
 C                  6.67113000   11.13089100   -1.55329100
 H                  7.61249000   10.70824500   -1.89146200
 C                  6.25062100   12.35880200   -2.07292900
 C                  5.03665400   12.86616900   -1.63072500
 H                  4.67964000   13.80982800   -2.02656400
 C                  1.59165200   10.96533200   -0.91334100
 H                  2.49590900   10.40271500   -1.14008900
 H                  1.34424600   11.57143700   -1.79531100
 C                  0.45906300   10.01280400   -0.64718000
 C                  0.40738500    9.19252000    0.47389300
 C                 -0.60948700    8.25556500    0.66358300
 C                 -1.60099900    8.16372800   -0.30812900
 H                 -2.39388600    7.43386800   -0.17215700
 C                 -1.59534600    8.97594900   -1.44411000
 C                 -0.56442200    9.89018400   -1.59179800
 H                 -0.53652800   10.53161700   -2.46756100
 C                  0.67762100   12.67614300    0.51266700
 H                 -0.12767000   11.95702600    0.64841200
 H                  0.43029400   13.28770000   -0.36429400
 C                  0.76318300   13.52076100    1.74608700
 C                  1.03066600   12.85650200    2.96022700
 C                  0.88159100   13.57602000    4.16292600
 C                  0.56743100   14.93499200    4.10347800
 H                  0.46744700   15.47918900    5.04023900
 C                  0.37140900   15.61489700    2.90410500
 C                  0.46035500   14.87510500    1.72426600
 H                  0.26876000   15.35752900    0.76871700
 O                  4.07150600   12.20990600    2.54223500
 C                  4.13816900   12.43581700    3.97004100
 C                  5.05034300   11.47779700    3.34968100
 H                  4.47313500   13.43212600    4.23137800
 H                  3.28330200   12.04068500    4.50746200
 C                 -0.63798000    7.36936100    1.88022300
 H                  0.30906000    6.83761100    2.02622100
 H                 -0.85465800    7.93484600    2.79041400
 H                 -1.41452900    6.61098800    1.77284300
 C                  1.03763600   12.89273900    5.49583000
 H                  1.05181300   11.80956100    5.36985800
 H                  1.96110100   13.19034200    5.99918000
 H                  0.20841500   13.15466300    6.15924000
 C                  0.08509700   17.09433800    2.87520500
 H                 -0.29788500   17.44439300    3.83707500
 H                  0.99122600   17.66898100    2.65328500
 H                 -0.65223400   17.34295800    2.10680800
 C                 -2.70403100    8.86915400   -2.46278400
 H                 -2.92189400    7.82428800   -2.69910000
 H                 -3.62762200    9.31781500   -2.08308200
 H                 -2.43971400    9.38253200   -3.38966900
 C                  6.37843100    9.10161300   -0.07294900
 H                  6.62380400    9.18097900    0.99102100
 H                  5.59640000    8.34712500   -0.15578000
 H                  7.26758500    8.74798000   -0.60007900
 C                  7.08926800   13.08626700   -3.08722700
 H                  8.10962300   13.26038400   -2.71619800
 H                  7.18451800   12.51844500   -4.02135800
 H                  6.65892000   14.05690100   -3.33589000
 H                  6.07209000   11.77993400    3.14002100
 C                  4.72149700    9.99202500    3.42574900
 H                  5.38783100    9.45868000    2.73191500
 H                  4.97976800    9.65589000    4.44334000
 O                  3.39142700    9.78388200    3.15352500
 H                  1.22836800    8.81607700    2.21049000
 C                  1.94542100    9.04778400    4.97205800
 O                  2.68082600    9.43614200    5.79450400
 O                  1.18235500    8.62508800    4.20140600
 






