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

IC

0 1
 Al                -5.85535400    2.78465400    3.34306800
 O                 -4.16107800    3.19974700    2.46837300
 O                 -5.09557000    2.80528900    4.96408800
 N                 -6.39099600    4.74528700    3.18521000
 O                 -7.52973900    2.27105900    3.70855400
 O                 -5.61566000    1.45056400    2.04350100
 C                 -5.78574200    3.37115100    5.97054100
 C                 -6.37247200    4.62593100    5.74049100
 C                 -7.19260500    5.20938100    6.69993800
 C                 -7.42285400    4.58950900    7.91917500
 C                 -6.73808700    3.39626500    8.16604100
 C                 -5.90756200    2.76527100    7.24258000
 C                 -6.01458200    5.39433000    4.48984800
 H                 -7.65450300    6.16123700    6.46369400
 H                 -6.87803500    2.93031500    9.13238100
 C                 -8.60164100    2.89667200    4.19372500
 C                 -9.56498700    2.24859000    5.00106500
 C                -10.65859200    3.00560900    5.42988100
 C                -10.87571200    4.34390100    5.10886700
 C                 -9.90732500    4.95241400    4.31762300
 C                 -8.79870000    4.25020600    3.86351300
 H                -11.39982300    2.50758300    6.04428200
 H                 -9.99969500    5.99478400    4.03290400
 C                 -7.84754800    4.95788100    2.93658400
 C                 -3.49063700    4.39259200    2.67205200
 C                 -2.24354100    4.53426900    3.29716300
 C                 -1.70965000    5.82869100    3.31456300
 C                 -2.34355700    6.96203800    2.82075100
 C                 -3.63799800    6.79162900    2.34188200
 C                 -4.20956100    5.52946000    2.28680300
 H                 -0.72820900    5.95593700    3.75487500
 H                 -4.24152900    7.63942600    2.04047100
 C                 -5.67903000    5.39123100    2.02313200
 C                 -6.25719400    0.23427600    1.89698000
 C                 -7.53341500    0.03211100    1.34747100
 C                 -8.04656200   -1.26734500    1.45627000
 C                 -7.36771100   -2.35507100    1.98913900
 C                 -6.03875600   -2.14318400    2.33743600
 C                 -5.48813100   -0.87281900    2.27636700
 H                 -1.67724600   -1.30681300    1.41520000
 H                 -9.05510500   -1.43230700    1.09824900
 H                 -5.40069100   -2.96223300    2.64699000
 H                 -4.80780000   -0.85553300    0.02915900
 Al                -3.93547600    1.89798500    1.13793100
 H                 -1.66502400    0.02615700    2.54528100
 O                 -2.29047800    2.47077800    0.68068800
 N                 -3.34100900   -0.03978700    1.29441100
 O                 -4.77285400    1.84906100   -0.44469300
 H                 -8.03601900    4.66203800    1.90376500
 C                 -1.17632200    1.86131900    0.26124200
 C                 -0.94653700    0.51975900    0.59933500
 C                  0.20333900   -0.14527800    0.18060000
 C                  1.18410300    0.49231300   -0.56317000
 C                  0.94238600    1.82847000   -0.89042500
 C                 -0.19835700    2.53684000   -0.51896800
 C                 -1.87603100   -0.23434400    1.50834600
 H                  0.31691800   -1.18533200    0.46604500
 H                  1.69779800    2.34579200   -1.46571300
 C                 -4.10392500    1.31161100   -1.47713900
 C                 -4.08100800    1.91307500   -2.75382500
 C                 -3.19904300    1.36993900   -3.68512000
 C                 -2.40226700    0.24430500   -3.44519400
 C                 -2.57594900   -0.40980300   -2.23254900
 C                 -3.42744900    0.10179700   -1.25990900
 H                 -3.11234800    1.85126100   -4.65085300
 H                 -2.03906700   -1.32396800   -2.00767800
 C                 -3.73126400   -0.68978300   -0.00787000
 H                 -3.24572500   -1.66893700   -0.05335800
 H                 -4.93334800    5.52805800    4.47916900
 H                 -6.47217100    6.38778200    4.51556500
 H                 -8.02993600    6.03619000    2.98935600
 C                 -4.01167400   -0.70227100    2.47222100
 H                 -3.55338200   -1.68406000    2.61945700
 H                 -3.77541500   -0.09147400    3.34746300
 H                 -5.89997200    4.78026300    1.14233000
 H                 -6.11436400    6.38115100    1.86050400
 C                 -1.64633200    8.32412300    2.89923700
 C                 -0.38242800    3.98991600   -0.98441700
 C                 -1.41746000    3.46818700    4.04072700
 C                 -5.08657800    1.52397900    7.63898700
 C                 -8.41424300    1.01856200    0.55512800
 C                 -9.52353100    0.77663300    5.46328000
 C                 -8.38867700    5.14398600    8.97062900
 C                -12.16925100    5.04769600    5.53975100
 C                 -8.07147500   -3.70776500    2.13345200
 C                  2.50170600   -0.17869700   -0.97278400
 C                 -1.37166200   -0.19437300   -4.49009700
 C                 -5.07213300    3.02757900   -3.14135000
 H                 -7.45939503   -4.36842054    2.71119967
 H                 -9.01132228   -3.57008824    2.62602910
 H                 -8.23535866   -4.12978102    1.16394459
 H                 -7.90100940    1.32007039   -0.33401988
 H                 -9.33503682    0.54174396    0.29115207
 H                 -8.61802311    1.87851982    1.15832466
 H                 -4.15727777    1.83360273    8.06960774
 H                 -5.63562439    0.94632113    8.35296140
 H                 -4.89645108    0.92962230    6.76979665
 H                 -8.64061462    0.60997479    6.04429954
 H                -10.38728686    0.56519705    6.05836038
 H                 -9.51395074    0.13424288    4.60762636
 H                 -7.93553818    5.97625508    9.46751268
 H                 -9.29164046    5.46229275    8.49288661
 H                 -8.61358932    4.38077528    9.68604765
 H                -12.00006377    6.10282608    5.59430558
 H                -12.93981612    4.84650862    4.82515109
 H                -12.46993994    4.68455422    6.50027909
 H                 -0.70607465    8.27331018    2.39106954
 H                 -2.26198281    9.06711386    2.43681006
 H                 -1.48402873    8.58316238    3.92464241
 H                 -4.63256351    3.65062213   -3.89201366
 H                 -5.97050265    2.58913381   -3.52292278
 H                 -5.30153308    3.61685109   -2.27819647
 H                 -0.48881192    3.89420923    4.35855999
 H                 -1.96348290    3.12548389    4.89472558
 H                 -1.22614741    2.64418419    3.38550272
 H                  0.44221634    4.27291838   -1.60471641
 H                 -1.29250858    4.07361816   -1.54087660
 H                 -0.42514612    4.63487551   -0.13171401
 H                 -0.48535117   -0.53405987   -3.99616791
 H                 -1.77803713   -0.98912960   -5.08011497
 H                 -1.13169415    0.63364283   -5.12389919
 H                  3.25563932    0.04287703   -0.24656813
 H                  2.36035321   -1.23786069   -1.02838673
 H                  2.80799627    0.19094329   -1.92905401
 

 

   
     


