%chk=Guess-Isom.chk
%nprocshared=12
%mem=20GB
#p opt=(ts,calcfc,noeigentest) freq=noraman iop(1/8=10) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

Dimer

-1 1
 Al                 2.28349200   11.48469000    1.86072800
 N                  1.69190300   12.32779800    0.00081500
 O                  3.91683500   11.15834500    1.10705900
 O                  1.61430500    9.82383100    1.58094500
 O                  0.76235400   12.19557200    2.60292500
 C                  2.77128100   13.21030700   -0.52748600
 H                  2.92764400   13.98945800    0.22726300
 H                  2.40223700   13.70820800   -1.43247900
 C                  4.07015300   12.51794700   -0.83835500
 C                  4.57859600   11.54767300    0.04087100
 C                  5.83567600   10.96502800   -0.23987600
 C                  6.53331700   11.36205600   -1.37191200
 H                  7.50177700   10.90796200   -1.57164800
 C                  6.03377700   12.31715400   -2.26352400
 C                  4.79475200   12.87758700   -1.97516200
 H                  4.37561700   13.62251900   -2.64795800
 C                  1.45689200   11.17933200   -0.92542300
 H                  2.40805100   10.65592500   -1.03728700
 H                  1.17775300   11.57692300   -1.90871800
 C                  0.40220400   10.21860700   -0.43782100
 C                  0.55474700    9.58300100    0.80535200
 C                 -0.42404300    8.67062000    1.24256500
 C                 -1.51336600    8.40424400    0.42174100
 H                 -2.26537900    7.69825900    0.76745700
 C                 -1.68165900    9.02053600   -0.82111700
 C                 -0.71282000    9.93225100   -1.22589900
 H                 -0.82112300   10.43872400   -2.18194900
 C                  0.44089100   13.13624700    0.09059000
 H                 -0.37805400   12.42791200    0.22713600
 H                  0.28643700   13.65566600   -0.86233900
 C                  0.44560700   14.09082200    1.24610100
 C                  0.58676600   13.51092900    2.51567200
 C                  0.53232300   14.33126900    3.65897900
 C                  0.34493700   15.69911600    3.48730900
 H                  0.30872000   16.33299900    4.37122200
 C                  0.21450700   16.29303500    2.22729700
 C                  0.26939100   15.46475400    1.10956400
 H                  0.16753900   15.89159800    0.11452700
 O                  3.21029500   10.12177500    3.89752000
 C                  2.70165300    8.36614300    5.40760500
 C                  3.77028200    8.94669100    4.48365500
 H                  2.43531500    9.12575200    6.15749300
 H                  1.81117000    8.13269000    4.82085000
 C                 -0.27196700    8.03107700    2.59424600
 H                  0.66751400    7.47706800    2.67195400
 H                 -0.24646500    8.79437300    3.37856900
 H                 -1.09983800    7.34900300    2.80186600
 C                  0.69634300   13.71011400    5.01651600
 H                 -0.07345700   12.95470100    5.20375100
 H                  1.66184200   13.20084900    5.08504900
 H                  0.63789900   14.46462300    5.80483900
 C                  0.02894000   17.78421200    2.09805300
 H                 -0.87335900   18.12261200    2.61769600
 H                  0.87392000   18.32967100    2.53069400
 H                 -0.05843200   18.08176600    1.05027100
 C                 -2.86697800    8.69100200   -1.69233900
 H                 -2.75549100    7.70721500   -2.16121900
 H                 -3.79519200    8.67051600   -1.11373300
 H                 -2.98580400    9.42550500   -2.49279800
 C                  6.37231400    9.92788800    0.70416200
 H                  6.34173000   10.28673200    1.73743800
 H                  5.76558400    9.01659600    0.67235600
 H                  7.40245000    9.66180200    0.45471100
 C                  6.80722000   12.69927400   -3.50036100
 H                  7.85812400   12.89938700   -3.27001800
 H                  6.78833600   11.90001700   -4.24955800
 H                  6.39060000   13.59618100   -3.96572900
 H                  4.65533900    9.23604500    5.05505400
 C                  4.18271300    8.01831300    3.35450900
 H                  4.98889000    8.50888900    2.79356800
 H                  4.58634200    7.09921600    3.78889300
 O                  3.11909900    7.65351200    2.50840500
 H                  2.68114900    8.46289100    2.18691500
 O                  3.09737400    7.16619300    6.03127300
 C                  4.07181100    7.34401800    7.03498800
 H                  3.75596000    8.09881100    7.76884100
 H                  4.19005400    6.38598600    7.54421100
 H                  5.04643700    7.64150300    6.62772600
 C                  3.78848200   11.35056600    4.11785600
 O                  3.25658000   12.20518900    3.33104200
 O                  4.64576700   11.52215700    4.95720500
 






