%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) iop(1/8=10) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.80754400   11.27788800    1.86147100
 N                  1.88143400   12.02091600    0.21885400
 O                  4.50614300   11.46012800    0.91758000
 O                  2.05295400    9.70138900    1.80589500
 O                  2.39535500   12.61745200    2.90871000
 C                  2.67711600   13.07833300   -0.47414500
 H                  2.92961000   13.84112800    0.26863700
 H                  2.04160600   13.55197200   -1.23041500
 C                  3.92827900   12.55213900   -1.12141500
 C                  4.83037000   11.76857500   -0.41794700
 C                  6.00811900   11.26725800   -0.96226700
 C                  6.27131200   11.59681000   -2.29141000
 H                  7.18595600   11.22224800   -2.74448000
 C                  5.39914100   12.37860400   -3.05179500
 C                  4.22939100   12.84295500   -2.45082100
 H                  3.53177200   13.44889500   -3.02323700
 C                  1.58371900   10.90511000   -0.73622000
 H                  2.54296800   10.47120100   -1.03662600
 H                  1.12482900   11.33814200   -1.63265700
 C                  0.69758300    9.83517700   -0.16084100
 C                  1.00250300    9.26097000    1.08123500
 C                  0.21239700    8.21094000    1.58196200
 C                 -0.86952000    7.77465000    0.81898900
 H                 -1.48008800    6.96011700    1.20644000
 C                 -1.20351200    8.34254400   -0.41394200
 C                 -0.40500900    9.38112600   -0.88475600
 H                 -0.63401300    9.84958700   -1.83983800
 C                  0.59007600   12.62172600    0.69119000
 H                  0.03650800   11.82745600    1.20363700
 H                  0.00656500   12.90672000   -0.19222100
 C                  0.77207000   13.80230300    1.60464000
 C                  1.64945400   13.71932500    2.69204700
 C                  1.77694000   14.79940200    3.58181100
 C                  1.01994600   15.94433900    3.35079100
 H                  1.11849400   16.78116000    4.04049600
 C                  0.14158000   16.05614200    2.26707500
 C                  0.03883000   14.97251300    1.39926500
 H                 -0.63277400   15.02727000    0.54469600
 O                  4.08897500   10.58050100    3.17563400
 C                  4.69836700   11.24683400    4.32606000
 C                  3.87834100   10.05434600    4.52851300
 H                  5.78084900   11.16944500    4.31935400
 H                  4.26908700   12.22226000    4.53151300
 C                  0.51314100    7.59127300    2.92044800
 H                  1.57902500    7.60975300    3.15762200
 H                  0.00423100    8.12476900    3.73285500
 H                  0.16888500    6.55202000    2.94821500
 C                  2.73068300   14.69629000    4.73981800
 H                  2.51903100   13.81307500    5.35340900
 H                  3.76669500   14.60293900    4.39139500
 H                  2.66736000   15.58116200    5.38000200
 C                 -0.66638100   17.31199700    2.05783600
 H                 -1.42294500   17.43357600    2.84273300
 H                 -0.03151300   18.20530000    2.08087700
 H                 -1.18758500   17.29339900    1.09562600
 C                 -2.38502200    7.83619100   -1.20246700
 H                 -2.22480700    6.80583000   -1.54252800
 H                 -3.29993400    7.83715600   -0.59852200
 H                 -2.56650000    8.45356900   -2.08784600
 C                  6.94087300   10.40766000   -0.15053400
 H                  7.29404800   10.92056900    0.75375700
 H                  6.46370100    9.46714500    0.15315100
 H                  7.82638900   10.14882400   -0.73561800
 C                  5.70158700   12.68199100   -4.49601100
 H                  6.76835300   12.87622200   -4.64572300
 H                  5.43076300   11.83387700   -5.13651200
 H                  5.14110700   13.55428700   -4.84470200
 H                  4.36681800    9.09397300    4.64988300
 C                  2.46590700   10.13115600    5.06224900
 H                  1.82006900    9.51719100    4.43050500
 H                  5.21901000   10.95621000    1.35216100
 O                  2.43173800    9.70392000    6.40193300
 H                  2.11352800   11.16668300    5.04251000
 C                  2.46307300    8.29910900    6.59819900
 O                  2.28034700    7.99345600    7.80566500
 O                  2.67656600    7.58195900    5.59310000
 H                  1.85405700    6.32350400    7.84119900
 O                  1.52427500    5.38952100    7.85110600
 C                  0.62534500    5.26341600    6.78247800
 H                  0.46991200    4.18862100    6.61001400
 H                  1.02908500    5.70485200    5.85981600
 C                 -0.72634900    5.87737100    7.05947000
 C                 -1.66307200    6.18917300    5.97893300
 O                 -0.95640000    7.22813200    6.65000200
 H                 -1.14022000    5.64360100    8.04244500
 H                 -1.36689800    6.01682200    4.94379000
 H                 -2.73659400    6.15416300    6.16499800
   
B 76 41 S 6 -0.19      


