%chk=Before.chk
%nprocshared=24
%mem=80GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.91213800   12.30498200    2.06718800
 N                  0.83377900   13.59602100    0.79665800
 O                  3.32206500   12.33993200    0.99094600
 O                  0.64485300   10.93633400    1.50370100
 O                  1.73334300   13.45851100    3.40081600
 C                  1.79991000   14.62962400    0.31583100
 H                  2.25157200   15.08786300    1.19947300
 H                  1.23931100   15.41197900   -0.20794200
 C                  2.86856100   14.07425900   -0.57911900
 C                  3.58951400   12.94834900   -0.16490400
 C                  4.61203500   12.44036600   -0.98743600
 C                  4.88177800   13.07680500   -2.19350700
 H                  5.67194900   12.67924000   -2.82646500
 C                  4.16901600   14.19899000   -2.62565900
 C                  3.15758900   14.67771900   -1.80134500
 H                  2.57506300   15.54217500   -2.10921900
 C                  0.25338600   12.90339700   -0.38837300
 H                  1.05767200   12.35471400   -0.88307900
 H                 -0.11810800   13.65657600   -1.09134300
 C                 -0.85427800   11.96413200   -0.01530500
 C                 -0.62775200   10.98890700    0.94492300
 C                 -1.62936300   10.12197900    1.37868600
 C                 -2.87603200   10.24177000    0.76639700
 H                 -3.67196100    9.57457600    1.08532300
 C                 -3.14171900   11.19302800   -0.21732600
 C                 -2.11770500   12.05987600   -0.58761700
 H                 -2.30096600   12.82992500   -1.33050100
 C                 -0.26412100   14.27487400    1.54672400
 H                 -0.92229900   13.49537600    1.94016100
 H                 -0.85257000   14.87096500    0.83998800
 C                  0.21081500   15.14357900    2.67527900
 C                  1.16941400   14.65339600    3.56911300
 C                  1.55722600   15.44070100    4.66899500
 C                  0.97561200   16.69190800    4.83771600
 H                  1.27983500   17.29485800    5.69017800
 C                  0.02499500   17.20293600    3.94995800
 C                 -0.33975200   16.40926800    2.86833200
 H                 -1.07212100   16.77542900    2.15321800
 C                 -1.38941000    9.10152200    2.45664900
 H                 -2.33402800    8.81684600    2.92290300
 H                 -0.93775300    8.19554400    2.04212700
 H                 -0.72124900    9.48875700    3.22956500
 C                  2.58103900   14.90505400    5.62899100
 H                  3.51425400   14.65722600    5.11452500
 H                  2.80056200   15.63404300    6.41231800
 H                  2.23109800   13.98288700    6.10303100
 C                 -0.59313900   18.55923600    4.17362200
 H                 -1.34549500   18.52765000    4.96923000
 H                  0.15985000   19.29486100    4.47043700
 H                 -1.08501700   18.92515400    3.26912400
 C                 -4.50655100   11.28072500   -0.84655400
 H                 -4.75169400   10.35481600   -1.37558900
 H                 -5.28014400   11.43666100   -0.08940700
 H                 -4.55997500   12.10240900   -1.56354900
 C                  5.37259200   11.22331400   -0.54532800
 H                  6.13452100   10.94945900   -1.27810800
 H                  5.86259300   11.38817500    0.41911700
 H                  4.70137100   10.36954500   -0.40934400
 C                  4.50102100   14.86691400   -3.93534400
 H                  4.60689600   14.13357800   -4.74014400
 H                  3.72336700   15.57702600   -4.22620600
 H                  5.44596600   15.41720800   -3.87215900
 O                  0.92143500   10.62089100    4.49290800
 H                  1.45716100    8.17918400    2.64223000
 C                  2.07588900   10.46356100    4.14240700
 O                  2.92736000    9.63754900    4.80725100
 O                  2.66657400   11.00276900    3.13672200
 C                  2.36666300    8.87769100    5.86753400
 C                  2.07955900    7.46025700    5.44682800
 H                  1.45384900    9.35642200    6.22223200
 O                  1.53179800    7.24862900    4.13959900
 C                  2.85660100    6.76629400    4.42744500
 H                  1.60090200    6.86402600    6.21961900
 H                  2.94808500    5.68516500    4.46028100
 H                  3.65561400    7.29683800    3.91835600
 H                  3.10035700    8.85850300    6.67647000
 O                  1.54380500    8.57101100    1.74977700
 H                  2.49115200    8.61354500    1.58741800
 H                  0.96241900    9.98963200    1.66952700
 
 





