%chk=Scan-Water.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) wb97xd/6-31G* nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                  3.48533200    9.71877100    3.76920700
 C                  3.22837700   10.03750600    5.14653600
 C                  3.10900900    8.66708800    4.66346400
 H                  4.10286200   10.32660800    5.72097300
 H                  2.33765800   10.63627400    5.31698700
 H                  3.91077800    7.96914900    4.89138300
 C                  1.78112400    8.00321900    4.40397900
 H                  1.88660400    7.23792400    3.63403100
 H                  1.39913300    7.54322300    5.31689700
 O                  0.86073300    8.96379300    3.89902100
 H                  0.06540800   10.91654600    3.52769500
 C                 -0.08430100    9.46330300    4.72021100
 O                 -0.45942800    8.95211600    5.73800400
 O                 -0.55692200   10.59060200    4.22709100
 H                  2.08665700   10.72303500    2.82464300
 O                  1.41444600   11.38431600    2.58955900
 H                  1.81741500   12.23592100    2.77865200
 
 B 11 16 S 6 -0.12
 B 13 3 S 6 -0.39
 

   
     


