%chk=Before.chk
%nprocshared=12
%mem=22GB
#p opt=(noeigentest) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

0 1
 Al                 1.94878700   10.62598400    1.94397700
 N                  1.28971600   11.80634400    0.32715900
 O                  3.69476900   10.85218800    1.52833800
 O                  1.22183900    9.16482600    1.24582600
 O                  1.48908700   11.88974500    3.11088100
 C                  2.33966900   12.81150500   -0.00135500
 H                  2.52056600   13.40076700    0.90258000
 H                  1.95252600   13.49463100   -0.76849800
 C                  3.61906800   12.17294300   -0.46654500
 C                  4.23379700   11.20518200    0.33504700
 C                  5.43339400   10.60173800   -0.07354000
 C                  5.99142000   10.98920700   -1.28956100
 H                  6.91982800   10.51938700   -1.61032100
 C                  5.39577300   11.95014300   -2.11322100
 C                  4.20195800   12.52578800   -1.68418800
 H                  3.70625600   13.26772100   -2.30738100
 C                  1.01773500   10.97454100   -0.87976000
 H                  1.96412600   10.50486000   -1.16396700
 H                  0.71626300   11.63841300   -1.70121400
 C                 -0.01694700    9.91445600   -0.64470300
 C                  0.17255300    9.02945400    0.42575800
 C                 -0.73620500    7.97291200    0.62523500
 C                 -1.82206100    7.85460100   -0.23985900
 H                 -2.53005700    7.04255000   -0.07849600
 C                 -2.04270100    8.74335000   -1.29849700
 C                 -1.12248000    9.77334100   -1.48273700
 H                 -1.26040000   10.48357300   -2.29646100
 C                  0.02773200   12.49273600    0.72724900
 H                 -0.68288500   11.70714600    1.00880000
 H                 -0.38685100   13.00414800   -0.15169600
 C                  0.19845600   13.46733500    1.85686000
 C                  0.91000400   13.08640800    3.00420400
 C                  1.03079500   13.99700600    4.07450900
 C                  0.43693200   15.25081500    3.96612900
 H                  0.53602600   15.94762000    4.79751600
 C                 -0.27420300   15.64896700    2.82830300
 C                 -0.37505100   14.73789700    1.78102900
 H                 -0.91382700   15.01507200    0.87641900
 O                  5.17244400   10.43830700    5.47168900
 C                  3.78607400   10.41241100    5.96406300
 C                  4.15602600    9.21198400    5.24992500
 H                  3.74313100   10.40406300    7.04664500
 H                  3.14387200   11.13355100    5.46491900
 C                 -0.50986900    7.01201300    1.75983700
 H                  0.43742000    6.47267400    1.63536700
 H                 -0.44005600    7.54815000    2.71322700
 H                 -1.31604700    6.27539600    1.81965600
 C                  1.79848800   13.59284900    5.30206900
 H                  1.38504500   12.68065500    5.74756000
 H                  2.84827700   13.38174500    5.06395600
 H                  1.77840100   14.38340000    6.05843900
 C                 -0.89742700   17.02042000    2.74586000
 H                 -1.64841500   17.16848100    3.53145800
 H                 -0.14654400   17.81085900    2.86565000
 H                 -1.39153900   17.17339600    1.78097400
 C                 -3.22334000    8.56957600   -2.22154800
 H                 -3.04480200    7.77297600   -2.95516400
 H                 -4.12935100    8.29979800   -1.66730300
 H                 -3.43088200    9.48867600   -2.77931800
 C                  6.07890000    9.56413200    0.80345000
 H                  6.39250900    9.99124400    1.76391800
 H                  5.38412400    8.74595200    1.02435000
 H                  6.96570400    9.14014300    0.32170800
 C                  6.03543400   12.34349600   -3.42104100
 H                  6.97621900   12.88336800   -3.25766600
 H                  6.27175400   11.46287800   -4.02946400
 H                  5.37758200   12.99165600   -4.00855400
 H                  4.57823700    8.39341300    5.81930300
 C                  3.76328600    8.94994800    3.81112700
 H                  4.48703000    9.37827300    3.11517400
 H                  3.74556800    7.86821900    3.65339200
 O                  2.50266400    9.51095300    3.52148800
 C                  1.42559300    9.00339600    4.47033100
 O                  1.91344900    8.35444200    5.39264200
 O                  0.31262500    9.35700900    4.13131000
 H                  5.19440600   11.06569300    4.63900400
 O                  5.11432900   12.01191600    3.47674400
 H                  4.56298700   11.63351900    2.74081700
 H                  4.72302300   12.87119400    3.68918800 
 






