%chk=Cat.chk
%nprocshared=4
%mem=6GB
#p opt freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                 -5.35452000    1.44048400    1.95303300
 C                 -6.09431700    0.30504100    2.05037200
 C                 -7.49190600    0.39555200    1.99018600
 C                 -8.23649100   -0.77395900    2.09073400
 C                 -7.64386100   -2.02968900    2.24097700
 C                 -6.25670400   -2.09095600    2.29437000
 C                 -5.47345600   -0.94072100    2.20959700
 H                 -1.34244100   -1.34297800    1.27242800
 H                 -9.32032400   -0.70415500    2.04153700
 H                 -5.76361300   -3.05210000    2.41031200
 H                 -4.62750100   -1.25403600   -0.15082900
 Al                -3.90752600    1.43516900    0.98015900
 H                 -1.68741900   -0.17502200    2.55208200
 O                 -2.54349700    2.36049800    1.59025000
 N                 -3.24664300   -0.40965400    1.17694900
 O                 -4.11432600    1.50829900   -0.76136800
 C                 -1.43478700    2.05285700    0.85137400
 C                 -1.03209900    0.71806000    0.72692500
 C                  0.03548400    0.40225400   -0.10897500
 C                  0.70328400    1.38200600   -0.83096400
 C                  0.29860600    2.70890700   -0.66681000
 C                 -0.75661900    3.06749200    0.16311900
 C                 -1.77410500   -0.36026100    1.47924200
 H                  0.31814500   -0.63983800   -0.22579200
 H                  0.80676100    3.48965700   -1.22752100
 C                 -3.28482500    0.81470700   -1.58330400
 C                 -2.70010700    1.46000600   -2.67754700
 C                 -1.82988900    0.73590000   -3.48995600
 C                 -1.52223700   -0.60097000   -3.24956100
 C                 -2.10906100   -1.21562400   -2.14643600
 C                 -2.97510400   -0.52439600   -1.30837100
 H                 -1.36228300    1.24345900   -4.32981000
 H                 -1.86451600   -2.24851000   -1.91259700
 C                 -3.53923000   -1.17763100   -0.07658300
 H                 -3.13819400   -2.18879500    0.04149400
 C                 -3.97478100   -1.02577200    2.33408400
 H                 -3.65610300   -2.06746700    2.43422200
 H                 -3.64881300   -0.48624300    3.22786600
 C                 -1.21008800    4.49229300    0.30354300
 H                 -1.08831900    4.84787800    1.33168700
 H                 -0.63697400    5.14924600   -0.35387800
 H                 -2.27125300    4.59655300    0.05819600
 C                 -2.98154900    2.91464500   -2.91900600
 H                 -2.42707900    3.28111700   -3.78538000
 H                 -4.04702500    3.09345500   -3.09359100
 H                 -2.69613200    3.51428200   -2.04913900
 C                 -0.57192700   -1.35946200   -4.13874300
 H                 -1.11204700   -2.02338500   -4.82244000
 H                  0.03183200   -0.68148500   -4.74650700
 H                  0.10727300   -1.98240100   -3.54989000
 C                 -8.14093900    1.73812000    1.81077700
 H                 -7.88249000    2.41710000    2.62893700
 H                 -7.80542700    2.21526800    0.88500400
 H                 -9.22804400    1.64308600    1.77422500
 C                 -8.49019200   -3.27291700    2.32313500
 H                 -9.25663700   -3.18278400    3.09861600
 H                 -9.00730200   -3.46068600    1.37660300
 H                 -7.88271100   -4.15156700    2.55227800
 C                  1.78950500    1.02424600   -1.81009500
 H                  1.48653100    1.27065800   -2.83307900
 H                  2.71557000    1.57030700   -1.60561200
 H                  2.01343100   -0.04445600   -1.77836300
   
     


