%chk=Scan2.chk
%nprocshared=8
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                  2.23765300    9.43816900    3.36526800
 C                  2.98929600   10.14510600    4.37653000
 C                  2.75077500    8.71338600    4.49708300
 H                  3.95785400   10.49777700    4.03971900
 H                  2.40480100   10.83656800    4.97487400
 H                  3.55010600    8.02128400    4.24808900
 C                  1.72237300    8.13441600    5.43015200
 H                  1.17245800    7.33224200    4.92921700
 H                  2.23615600    7.70577300    6.29064500
 O                  0.81015600    9.09577500    5.97787000
 C                 -0.34068800    9.41067300    5.33769200
 O                 -0.32340700    9.35718800    4.01431200
 O                 -1.30712100    9.73290800    5.96527000
 H                  0.59687400    9.38682400    3.65791400
 
 B 12 3 S 6 -0.30
   
     


