%chk=IC.chk
%nprocshared=12
%mem=22GB
#p opt freq=noraman iop(1/8=10) wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 Al                 2.52388300   10.85221900    1.72320900
 N                  1.76895500   11.97069500    0.15663200
 O                  4.18644600   10.93364000    1.10962600
 O                  1.48402900    9.44569400    1.29605000
 O                  1.93680100   11.98160300    2.96629900
 C                  2.75922100   13.01894300   -0.22421100
 H                  2.93860400   13.62850400    0.66668000
 H                  2.30778800   13.67100200   -0.98041600
 C                  4.05684100   12.45786300   -0.72693200
 C                  4.71289200   11.45845200   -0.00219400
 C                  5.96020900   10.97867000   -0.45331300
 C                  6.50136900   11.50995700   -1.61782200
 H                  7.46443900   11.13121300   -1.96198700
 C                  5.85686700   12.49953100   -2.36315500
 C                  4.63005400   12.95839300   -1.89591200
 H                  4.09876900   13.72542600   -2.45165800
 C                  1.51249700   11.08898200   -1.01735800
 H                  2.46052400   10.60521600   -1.27215900
 H                  1.22608000   11.71652000   -1.87177900
 C                  0.45704900   10.04736500   -0.76984500
 C                  0.52165400    9.26205800    0.38663200
 C                 -0.44262300    8.25934600    0.60480400
 C                 -1.44058200    8.07596600   -0.34476900
 H                 -2.18505700    7.29946500   -0.17293100
 C                 -1.52612200    8.85209600   -1.50352700
 C                 -0.56594500    9.83881400   -1.69270100
 H                 -0.60681000   10.46646900   -2.57901200
 C                  0.49866200   12.61272900    0.58175700
 H                 -0.18447100   11.81306100    0.88383800
 H                  0.05127000   13.11752400   -0.28082000
 C                  0.67777100   13.58364300    1.71277300
 C                  1.38727700   13.19754000    2.85767400
 C                  1.53178400   14.11315000    3.91687300
 C                  0.96296200   15.37452700    3.80278500
 H                  1.08332100   16.07728500    4.62315600
 C                  0.25180000   15.77906100    2.66913300
 C                  0.12503300   14.86376900    1.63225900
 H                 -0.41111200   15.14143600    0.72849400
 O                  4.79410700   11.40963800    4.54783700
 C                  3.93613200   10.77197100    5.50341000
 C                  4.87375000    9.99549900    4.69585700
 H                  4.17180100   10.97911400    6.54670100
 H                  2.88583300   10.77746500    5.22677200
 C                 -0.36642500    7.43011500    1.85551300
 H                  0.59017100    6.90888800    1.92768400
 H                 -0.45699500    8.05497300    2.75009900
 H                 -1.16655700    6.68369700    1.87556800
 C                  2.30350100   13.71306100    5.14327800
 H                  1.80674200   12.89049100    5.67026000
 H                  3.30066100   13.35567700    4.87667000
 H                  2.39866400   14.55222900    5.83714600
 C                 -0.34143400   17.16131200    2.57799200
 H                 -1.06702800   17.33969700    3.37795500
 H                  0.43097900   17.93191000    2.66737100
 H                 -0.85219500   17.30961400    1.62410500
 C                 -2.61931000    8.61672100   -2.51028400
 H                 -2.49984100    7.65090300   -3.01225400
 H                 -3.60537100    8.61186600   -2.03294300
 H                 -2.62408800    9.39237800   -3.27956600
 C                  6.66502100    9.91046400    0.33187200
 H                  6.86987000   10.23972900    1.35493800
 H                  6.05033600    9.00546000    0.40838500
 H                  7.61176700    9.64163400   -0.14189300
 C                  6.47397800   13.04313700   -3.62732300
 H                  7.43764800   13.52118500   -3.42893500
 H                  6.65057000   12.24724700   -4.35662700
 H                  5.82131000   13.78530200   -4.09498300
 H                  5.79405400    9.63782700    5.15320500
 C                  4.43013500    9.15743400    3.53068800
 H                  5.11576600    9.27942000    2.68741700
 H                  4.41003400    8.10715500    3.83517400
 O                  3.11074200    9.52810500    3.10346800
 H                  2.59376400    8.74596400    2.85599400
   
     


