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

IC

0 1
 O                  3.13496500    9.86400000    3.36157000
 C                  3.29106000   10.30394800    4.71963800
 C                  3.04018400    8.90118300    4.40914700
 H                  4.29485000   10.61282700    4.99469300
 H                  2.48106900   10.92504400    5.09322000
 H                  3.86031300    8.19117800    4.46690300
 C                  1.67793600    8.28381300    4.54892300
 H                  1.54969900    7.46915500    3.83116900
 H                  1.53942100    7.87829700    5.55166900
 O                  0.67308200    9.28011500    4.33636100
 H                  0.73943600    9.85392000    3.55675000
 C                 -0.69499414    9.49345412    5.48651494
 O                 -0.75801245    8.44933772    4.81185390
 O                 -0.63194314   10.53811212    6.16152594
 

   
     


