%chk=Before.chk
%nprocshared=16
%mem=80GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.42814000   12.50233400    2.59520300
 N                  0.65997700   13.76200100    1.00686600
 O                  3.06849600   12.58569700    1.82549600
 O                  0.19719600   11.27533400    2.17496500
 O                  1.06229500   13.79150700    3.77416600
 C                  1.72621400   14.66324200    0.49812000
 H                  2.09551500   15.24514700    1.34597600
 H                  1.28797300   15.36811000   -0.21960100
 C                  2.86143300   13.91840200   -0.13834400
 C                  3.47838000   12.88993200    0.58025400
 C                  4.54552800   12.17950500    0.00388000
 C                  4.97296200   12.53778200   -1.27157200
 H                  5.79810900   11.98600200   -1.71603800
 C                  4.37575700   13.56646700   -2.00224200
 C                  3.30896300   14.24015400   -1.41664700
 H                  2.80976300   15.03732400   -1.96136300
 C                  0.15924200   12.92448600   -0.11637400
 H                  0.99343700   12.30475000   -0.45653900
 H                 -0.12420400   13.58065000   -0.94918300
 C                 -0.99682100   12.04847800    0.26517000
 C                 -0.89010800   11.25091700    1.41089500
 C                 -1.96142500   10.40814700    1.76734700
 C                 -3.09615500   10.38571100    0.96453600
 H                 -3.92062800    9.73469200    1.24727700
 C                 -3.21867200   11.17446000   -0.18322100
 C                 -2.15358600   12.00596700   -0.51089200
 H                 -2.21823600   12.64198900   -1.39032600
 C                 -0.46013900   14.58751900    1.53793100
 H                 -1.20515200   13.89930600    1.94626900
 H                 -0.93037800   15.12459000    0.70449800
 C                 -0.02216300   15.55540600    2.59762700
 C                  0.73361800   15.07513100    3.67612800
 C                  1.16217800   15.97223500    4.67257500
 C                  0.80606500   17.31321700    4.56979900
 H                  1.14286100   18.00206600    5.34127500
 C                  0.04583700   17.80709500    3.50714000
 C                 -0.35042300   16.90656500    2.52281600
 H                 -0.92616700   17.26029200    1.67087000
 C                 -1.84878800    9.56775300    3.00766200
 H                 -2.77598700    9.02130800    3.19564900
 H                 -1.03342200    8.84201400    2.92362200
 H                 -1.62528400   10.18643300    3.88196600
 C                  2.00786200   15.45759000    5.80270900
 H                  2.93067800   15.00570600    5.42566800
 H                  2.27257000   16.26108500    6.49399500
 H                  1.48802600   14.67514400    6.36387300
 C                 -0.34742600   19.26097800    3.44067300
 H                 -1.28565200   19.44392200    3.97638800
 H                  0.41507900   19.90183300    3.89149100
 H                 -0.49434100   19.58570700    2.40720200
 C                 -4.46291500   11.11548900   -1.03231800
 H                 -4.56475300   10.14265900   -1.52491700
 H                 -5.36523600   11.26840700   -0.43238800
 H                 -4.44480100   11.88161200   -1.81119500
 C                  5.19660900   11.05479200    0.76117100
 H                  5.73845800   10.39101000    0.08355400
 H                  5.91394700   11.43152700    1.49809600
 H                  4.44567400   10.48486600    1.31243800
 C                  4.86281600   13.91131300   -3.38616400
 H                  4.67368700   13.09368600   -4.08934700
 H                  4.36323500   14.80344600   -3.77058700
 H                  5.94052600   14.10054200   -3.39206800
 O                  3.08521500    9.67390400    3.01553900
 H                  5.37696100   11.70326300    4.41545000
 C                  2.63756900   10.30301700    3.96322200
 O                  2.77675800    9.75703900    5.22731000
 O                  2.05001100   11.41535500    4.01042600
 C                  3.51240900    8.57870300    5.24442300
 C                  4.84976100    8.62517600    4.68681700
 H                  2.97771600    7.72516000    4.81513600
 O                  5.32593100   10.94743600    5.04450400
 C                  5.68383000    9.76984100    4.42404500
 H                  5.28703800    7.66143700    4.43331300
 H                  5.63954900    9.82227400    3.27737100
 H                  6.76160700    9.47852000    4.60936300
 H                  3.70270500    8.29536100    6.30359700
 O                  5.17056200   13.02449300    3.46701100
 H                  5.83295200   13.39033000    2.87232700
 H                  4.38315300   12.84386600    2.90907400
 
 





