%chk=IC.chk
%nprocshared=12
%mem=20GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.47332000   10.92059000    1.83280100
 N                  1.74201300   12.01685000    0.25418000
 O                  4.12500600   10.92858600    1.17208600
 O                  1.36478500    9.53608100    1.52709400
 O                  1.95714100   12.14375400    3.01741000
 C                  2.73786100   13.05467600   -0.13588100
 H                  2.92804400   13.67155400    0.74634700
 H                  2.28798000   13.70351200   -0.89613500
 C                  4.02872400   12.48068200   -0.64551600
 C                  4.65960700   11.44960100    0.05876600
 C                  5.88105700   10.93342700   -0.41075800
 C                  6.43915300   11.47334100   -1.56326700
 H                  7.38354700   11.07043600   -1.92198000
 C                  5.82623500   12.50446200   -2.27961900
 C                  4.61382500   12.98827100   -1.80419000
 H                  4.10324800   13.78230300   -2.34299300
 C                  1.49824800   11.11118600   -0.89625400
 H                  2.44808400   10.62736600   -1.13975000
 H                  1.21152000   11.71469900   -1.76525600
 C                  0.45647200   10.06146200   -0.63703200
 C                  0.47988000    9.29102100    0.53311900
 C                 -0.43817000    8.23236700    0.67144200
 C                 -1.37425400    8.01471800   -0.33392800
 H                 -2.08208600    7.19861000   -0.21128700
 C                 -1.43884100    8.79832900   -1.48551400
 C                 -0.50477800    9.81614100   -1.61638800
 H                 -0.51110800   10.44009700   -2.50616600
 C                  0.46564300   12.67376300    0.65174300
 H                 -0.21918000   11.88451700    0.97472200
 H                  0.02404600   13.14781400   -0.23239900
 C                  0.64086900   13.68364900    1.74878500
 C                  1.37543600   13.34435700    2.89024100
 C                  1.51982300   14.28459600    3.92628800
 C                  0.92399500   15.53249200    3.78786900
 H                  1.04253200   16.25657300    4.59054600
 C                  0.19034600   15.89174200    2.65443800
 C                  0.06495900   14.94817600    1.64248000
 H                 -0.48958500   15.19551700    0.74090800
 O                  3.29287200    9.91133300    3.36645000
 C                  3.39553400   10.29595300    4.75930300
 C                  3.06393700    8.92284100    4.40111600
 H                  4.40590600   10.54985500    5.05841000
 H                  2.59992800   10.95645500    5.07812900
 C                 -0.39855700    7.32734000    1.86974900
 H                  0.59624000    6.89043100    1.99533800
 H                 -0.64613800    7.85471800    2.79488400
 H                 -1.11306200    6.50981000    1.75324000
 C                  2.31080400   13.92001700    5.15018900
 H                  1.84092100   13.09291800    5.69192200
 H                  3.32204000   13.59506900    4.88669200
 H                  2.38805400   14.76973700    5.83216000
 C                 -0.42876300   17.26040800    2.53769500
 H                 -1.16226400   17.43651400    3.33099700
 H                  0.32820200   18.04724000    2.61577300
 H                 -0.93890000   17.38289200    1.57924700
 C                 -2.47185700    8.53031000   -2.54808500
 H                 -2.29975200    7.56517600   -3.03575900
 H                 -3.48011300    8.50222200   -2.12420000
 H                 -2.45335900    9.30182300   -3.32129800
 C                  6.54274400    9.81043200    0.33626500
 H                  6.76362900   10.09366500    1.37007100
 H                  5.89223700    8.93124400    0.38394400
 H                  7.47781200    9.51835600   -0.14663000
 C                  6.46270000   13.06203900   -3.52613800
 H                  7.42487400   13.53530800   -3.30505500
 H                  6.65228600   12.27582700   -4.26356200
 H                  5.82208400   13.81297000   -3.99456500
 H                  3.85418900    8.17849400    4.42809700
 C                  1.66909200    8.37238100    4.53094300
 H                  1.55886800    7.52402400    3.84900800
 H                  1.56329900    7.99206600    5.55102200
 O                  0.66737300    9.33824500    4.31707900
 H                  0.63903100    9.49315300    3.36090600
   
     


