%chk=I_sulf_cyclohexene_def2svp.chk
%mem=120GB
%nprocshared=24
#p opt freq=noraman b3lyp scrf=(smd,solvent=acetonitrile) pop=full def2svp empiricaldispersion=gd3bj gfinput iop(6/7=3) scf=save

Title Card Required

0 1
 I                  2.22107300   -1.54097600   -0.18356800
 C                  0.77135200    0.01362100    0.56622400
 C                  0.27681700    0.79356000   -0.65028700
 C                  1.42507600    0.86792800    1.64289800
 C                  1.25419800    1.87028400   -1.14355200
 C                  2.45071600    1.86281700    1.09074900
 H                  0.60734500    1.42428700    2.12222500
 H                  1.86510700    0.22183500    2.40852300
 H                  2.06437000    1.32949700   -1.64837900
 H                  0.76552600    2.48731500   -1.90386000
 C                  1.83995500    2.73101700   -0.01650500
 H                  2.81829400    2.49387700    1.90860800
 H                  3.31523700    1.31398800    0.69355900
 H                  1.05778000    3.37144500    0.40950100
 H                  2.60232000    3.39570000   -0.44035200
 H                  0.02489400    0.11198400   -1.46743800
 S                 -1.38761000    1.53710500   -0.30220000
 C                 -2.43294500    0.10371600   -0.03222600
 O                 -1.82241400    2.20177100   -1.55466700
 O                 -1.36874200    2.33185400    0.94884200
 C                 -2.81699100   -0.66690900   -1.13357400
 C                 -2.81616100   -0.22564200    1.26951500
 C                 -3.60793700   -1.79675200   -0.91902800
 H                 -2.51099500   -0.38929600   -2.13729300
 C                 -3.61235600   -1.35649300    1.46909100
 H                 -2.50152500    0.39035200    2.10511900
 C                 -4.00419900   -2.13996400    0.37899100
 H                 -3.91656300   -2.40502600   -1.76424900
 H                 -3.92265100   -1.62378000    2.47505800
 H                 -4.62074100   -3.01989800    0.53995200
 H                  0.00059900   -0.63634700    0.97617000

