%nproc=12
%Mem=12000MB
%Chk=Bh_react_2
#p SCRF(SMD,Solvent=toluene) B3LYP/gen EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 C                 -0.98972700    0.43524300    0.33369500
 C                  0.34286700    0.30300000    0.73093700
 C                  1.19954600    1.40508400    0.68770800
 C                  0.74307500    2.65569800    0.24847100
 C                 -0.59696400    2.77449900   -0.14744500
 C                 -1.45751100    1.67608400   -0.10660700
 H                 -1.65920700   -0.42015200    0.36973200
 H                  0.71508400   -0.65753300    1.07843000
 H                  2.23609000    1.29583100    1.00028000
 H                 -0.96778600    3.73921800   -0.48797300
 H                 -2.49421200    1.78975000   -0.41354400
 C                  1.68302700    3.83760300    0.15254300
 H                  2.48037600    3.74318600    0.90117400
 H                  1.14151500    4.76426500    0.38447800
 C                  2.31851000    3.96912600   -1.24509500
 H                  2.85798100    3.04244600   -1.48409600
 H                  1.52076900    4.06469300   -1.99420100
 C                  3.26952500    5.16688500   -1.34380300
 H                  4.09006500    5.06091800   -0.62286200
 H                  2.73533800    6.09014100   -1.09152200
 C                  3.85503800    5.30395800   -2.74808600
 H                  3.06781100    5.44044100   -3.50043200
 H                  4.44700600    4.42123700   -3.01391200
 N                  4.80767900    6.42875600   -2.79227500
 F                  4.00402100    7.61838700   -2.65181200
 S                  5.51523500    6.62063400   -4.40081500
 O                  4.48996500    6.91949400   -5.40497100
 O                  6.37483800    5.44084800   -4.53925000
 C                  6.49822400    8.08910500   -4.09550400
 H                  5.82688000    8.91177800   -3.84558900
 H                  7.19142400    7.88029500   -3.27869000
 H                  7.04036100    8.30188900   -5.02079600

N C H S O F 0
6-311+G**
****

