%chk=Before.chk
%nprocshared=4
%mem=6GB
#p opt iop(1/8=10) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                  2.04207900    9.62718800    3.50425200
 C                  3.21121100   10.02037200    4.34599600
 C                  2.66800500    8.63610600    4.44718400
 H                  4.10155900   10.23359000    3.74373900
 H                  3.00521700   10.77323800    5.11225300
 H                  3.14920600    7.79688200    3.92362800
 C                  1.73915400    8.28467800    5.59685200
 H                  1.24108100    7.30605400    5.47013400
 H                  2.25719000    8.30443800    6.57848200
 O                  0.78557500    9.36182400    5.63493600
 C                 -0.56070700    9.13253500    5.06223700
 O                 -0.45044200    9.76902100    3.94485400
 O                 -1.41381600    8.54842500    5.65932900
 H                  0.68197300   10.01373900    4.08075900
 

   
     


