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

IC

0 1
 Al                 2.76743300   10.96954300    1.94532400
 N                  1.85373400   11.94635600    0.26836900
 O                  4.35218600   11.09489200    1.15728200
 O                  1.58906900    9.44026900    1.36357700
 O                  1.94945700   12.08167900    3.05018700
 C                  2.78639200   13.03208700   -0.16518400
 H                  2.98253500   13.65824100    0.70959300
 H                  2.27159500   13.65610700   -0.90450400
 C                  4.08110900   12.52301800   -0.72697600
 C                  4.81114300   11.58059600    0.00390200
 C                  6.05076400   11.12891600   -0.48483500
 C                  6.51738200   11.63394200   -1.69247900
 H                  7.47561500   11.28179000   -2.06783200
 C                  5.79841000   12.56975600   -2.44246000
 C                  4.57535600   12.99902300   -1.94034300
 H                  3.98741700   13.72243900   -2.49951900
 C                  1.62141800   11.04418500   -0.89440700
 H                  2.56646500   10.54416500   -1.12074300
 H                  1.35718800   11.65385800   -1.76551100
 C                  0.54981800   10.01426400   -0.67187400
 C                  0.56855700    9.20340200    0.45009300
 C                 -0.37757600    8.21256900    0.69007600
 C                 -1.37381800    8.04834300   -0.26837400
 H                 -2.12475300    7.28037100   -0.10732100
 C                 -1.44149600    8.84069900   -1.41465900
 C                 -0.47268900    9.82324200   -1.59680200
 H                 -0.50694800   10.45930400   -2.47595000
 C                  0.55464000   12.56900600    0.66833800
 H                 -0.09507900   11.76687800    1.02784100
 H                  0.08565400   13.00052100   -0.22349600
 C                  0.70476700   13.61650600    1.73263000
 C                  1.41145200   13.29107100    2.89405200
 C                  1.56480300   14.25023400    3.91078800
 C                  0.99481200   15.50565200    3.73364400
 H                  1.11963400   16.24911800    4.51779800
 C                  0.27968400   15.84963100    2.58202300
 C                  0.15026300   14.88656900    1.58717800
 H                 -0.38701300   15.12378000    0.67239200
 O                  4.58354000   11.01282600    4.63303400
 C                  3.60554100   10.35410000    5.43552000
 C                  4.41802100    9.58898700    4.46890000
 H                  3.86057400   10.28592500    6.49416100
 H                  2.58135600   10.61676600    5.20292300
 C                 -0.31395600    7.36864900    1.93322100
 H                  0.63761800    6.83035100    2.00982000
 H                 -0.43104300    7.97431800    2.83843900
 H                 -1.10933700    6.62296200    1.92955600
 C                  2.33702900   13.88438500    5.14712500
 H                  1.74585500   13.23340200    5.80071800
 H                  3.24097900   13.32727300    4.88844100
 H                  2.60940800   14.77525900    5.71806000
 C                 -0.31492500   17.22629300    2.42850300
 H                 -1.04435900   17.43682800    3.21707400
 H                  0.45615800   18.00114600    2.48592200
 H                 -0.82309300   17.33235100    1.46707900
 C                 -2.53596800    8.62697800   -2.42650600
 H                 -2.41762700    7.66344700   -2.93171400
 H                 -3.51893500    8.62536900   -1.94782900
 H                 -2.52817100    9.40892500   -3.18839900
 C                  6.82762600   10.11651700    0.30744000
 H                  6.99942900   10.46498800    1.32995900
 H                  6.28076200    9.17130800    0.38569600
 H                  7.79496700    9.91479600   -0.15816800
 C                  6.33964300   13.08902100   -3.75016100
 H                  7.30518100   13.58587600   -3.61196300
 H                  6.49315100   12.27842600   -4.46975500
 H                  5.65445300   13.81090500   -4.20089700
 H                  5.28551100    9.18450600    5.08428000
 C                  4.21573800    8.87428200    3.25759700
 H                  5.00859700    8.97449000    2.50792400
 H                  3.88346600    7.83209000    3.34961000
 O                  3.23956700    9.81271300    3.22868400
 H                  1.87825554   11.74533367    3.94651405
   
 B 72 41 S 5 -0.01
 
     


