%chk=Scan-Water.chk
%nprocshared=12
%mem=20GB
#p opt=(modredundant,noeigentest) pm6 nosymm scrf=(smd,solvent=butanone)

IC

0 1
 O                  3.57426800    9.89240000    3.83593900
 C                  3.02771400   10.14269700    5.14071000
 C                  2.98282600    8.80274100    4.56653800
 H                  3.76237300   10.38219800    5.90302500
 H                  2.12728400   10.74888800    5.13651700
 H                  3.71683100    8.07490800    4.90565100
 C                  1.72087400    8.19004700    4.00600200
 H                  1.97658400    7.66366600    3.07590900
 H                  1.37840200    7.43813700    4.72168900
 O                  0.66076900    9.09302000    3.80908500
 H                  0.90192200    9.70093500    3.08874900
 C                 -0.45253900    9.90850000    6.11391300
 O                 -0.16103300    8.91187600    6.62415100
 O                 -0.77832100   10.92713200    5.67292100
 H                  2.57892800   10.62816100    2.47786600
 O                  1.78406600   10.82742300    1.95357800
 H                  1.57394100   11.74166300    2.16108600
 
 B 12 10 S 6 -0.180
 B 15 1 S 6 -0.139
 

   
     


