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

IC

0 1
 C                  2.15600700   10.54032500    5.96741900
 C                  2.09569600    9.09242000    6.14223000
 H                  1.29097200   11.08224200    5.59494400
 C                  0.88686800    8.26453300    5.80276600
 H                  1.04914600    7.74582500    4.85719100
 H                  0.70667800    7.53051800    6.58928000
 O                 -0.30008900    9.05597400    5.72925900
 C                 -0.69263500    9.47160100    4.50971800
 O                 -0.18327400    9.15147300    3.47099300
 O                 -1.73098200   10.27564700    4.60220700
 H                 -1.93763100   10.48120000    5.54855200
 O                 -2.27040000   11.11467200    7.06572600
 C                 -1.18058300   11.22933200    7.99484300
 C                 -1.66301400   12.40413000    7.27671500
 H                 -0.25821000   10.75844300    7.66413800
 H                 -1.09797400   12.78273700    6.43048000
 H                 -2.30322000   13.11808000    7.78606500
 C                 -1.55486100   10.99543100    9.43069400
 H                 -1.60352200    9.91515700    9.61674500
 H                 -2.54911200   11.42305700    9.61649000
 O                 -0.55884600   11.61486800   10.22411600
 H                 -0.67338200   11.30935300   11.12609500
 H                  3.11722900   11.01489700    5.79079100
 H                  3.02592700    8.52886300    6.09682100
 O                  1.99184600    9.96140600    7.26432800
 
 B 2 9 S 10 -0.19

 

   
     


