%chk=H-Cat.chk
%nprocshared=8
%mem=20GB
#p freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

1 1
 O                 -5.34320700    0.78979100    1.21581400
 C                 -6.08552700   -0.35407000    1.32524200
 C                 -7.48139100   -0.25795600    1.29437000
 C                 -8.22269200   -1.43026300    1.38860200
 C                 -7.62586400   -2.68798200    1.50301400
 C                 -6.23804000   -2.75115500    1.52959300
 C                 -5.45648500   -1.59873200    1.45231800
 H                 -1.32523100   -1.99215800    0.48002100
 H                 -9.30701300   -1.36043700    1.36211700
 H                 -5.74295800   -3.71342900    1.62083500
 H                 -4.59672200   -1.89177000   -0.94856700
 Al                -3.98624200    0.71288600    0.16193400
 H                 -1.65785100   -0.85278300    1.78612000
 O                 -2.54106500    1.67357100    0.83601500
 N                 -3.22585300   -1.05716700    0.40450400
 O                 -4.01784300    0.89644000   -1.55187300
 C                 -1.35223100    1.40229500    0.08468400
 C                 -1.00319400    0.06588600   -0.02954000
 C                  0.06401600   -0.23700600   -0.86864200
 C                  0.73264400    0.75666300   -1.57520100
 C                  0.33292900    2.08478800   -1.41237800
 C                 -0.72824400    2.44239200   -0.58754700
 C                 -1.75367600   -1.01548200    0.71129600
 H                  0.34601000   -1.27633700   -0.99699500
 H                  0.84019800    2.86669400   -1.96899900
 C                 -3.20020400    0.17388500   -2.36821200
 C                 -2.60795400    0.80515700   -3.46448700
 C                 -1.74538600    0.06179700   -4.26737100
 C                 -1.45685200   -1.27819000   -4.01547400
 C                 -2.05592900   -1.87696900   -2.91100200
 C                 -2.91782000   -1.16795600   -2.08250700
 H                 -1.27104000    0.55499000   -5.11160600
 H                 -1.83144300   -2.91259600   -2.67158000
 C                 -3.50852300   -1.82131400   -0.86247800
 H                 -3.11469500   -2.83268400   -0.73635300
 C                 -3.95574500   -1.69291500    1.56050800
 H                 -3.64117000   -2.73689000    1.62862300
 H                 -3.61320400   -1.17547800    2.45984100
 C                 -1.20389000    3.85949600   -0.44681400
 H                 -1.04772100    4.23535200    0.56976400
 H                 -0.65959700    4.51101900   -1.13040600
 H                 -2.27139500    3.94357100   -0.67148800
 C                 -2.87656300    2.25927800   -3.72338900
 H                 -2.32616700    2.60583800   -4.60010600
 H                 -3.94182300    2.44349700   -3.89002600
 H                 -2.57825300    2.86930000   -2.86547000
 C                 -0.51789700   -2.05703800   -4.89857500
 H                 -1.07079200   -2.71334500   -5.57885300
 H                  0.09763400   -1.39186100   -5.50822500
 H                  0.14756200   -2.68942400   -4.30465600
 C                 -8.13284400    1.08726100    1.14648500
 H                 -7.86339400    1.75127600    1.97286800
 H                 -7.80867700    1.57957300    0.22497200
 H                 -9.21980700    0.99034100    1.12243100
 C                 -8.46997300   -3.93327700    1.57416400
 H                 -9.23904200   -3.84727300    2.34701900
 H                 -8.98294400   -4.11345700    0.62413100
 H                 -7.86121800   -4.81185300    1.79879200
 C                  1.82712900    0.40677300   -2.54453700
 H                  1.53061900    0.67137400   -3.56395700
 H                  2.74665600    0.95368800   -2.31884600
 H                  2.04715300   -0.66192200   -2.52276700
 H                 -2.46745500    2.38281700    1.49236000
   
    


