%mem=120GB
%nprocshared=24
#p scrf=(smd,solvent=generic,read) nosymm
empiricaldispersion=gd3 m06/def2tzvp

Title Card Required

1 2
 C                  3.75196500    0.83529100   -1.33769500
 C                  2.41069900    1.06345500   -1.12363500
 C                  1.90634400    1.21586100    0.20327700
 C                  2.80273900    1.06600100    1.29895300
 C                  4.13859000    0.84385400    1.08217200
 C                  4.62468400    0.73040200   -0.24243100
 H                  5.68603200    0.55708800   -0.41127200
 H                  4.82958300    0.75628700    1.91728500
 H                  2.40772500    1.16571200    2.30945100
 C                  0.49922100    1.56785100    0.50014600
 C                 -0.38506300    1.98991500   -0.66090000
 C                 -1.79612100    2.46205900   -0.27333700
 C                 -1.73651900    3.69002200    0.63446800
 H                 -2.74460400    4.09589300    0.80052400
 H                 -1.12776400    4.48169400    0.17476100
 H                 -1.30939700    3.46221100    1.62133500
 C                 -2.53585900    2.83652100   -1.55642100
 H                 -2.03403500    3.67568800   -2.05903500
 H                 -3.56907300    3.14459200   -1.33852700
 H                 -2.57088600    1.99829000   -2.26675500
 C                 -2.58170000    1.38083700    0.47761000
 N                 -2.76777400    0.16042300   -0.31323800
 S                 -2.61553100   -1.32420800    0.40121600
 O                 -2.96197000   -1.28619200    1.81890700
 O                 -3.28832400   -2.26042700   -0.49285000
 C                 -0.85825800   -1.60093600    0.30152600
 C                 -0.26096100   -1.62871400   -0.95787700
 C                  1.10078200   -1.86135400   -1.04675500
 C                  1.87511100   -2.09211700    0.11179800
 C                  1.24546500   -2.04566900    1.36800200
 C                 -0.11495100   -1.80779100    1.46936800
 H                 -0.61229600   -1.78407700    2.43677700
 H                  1.83707000   -2.22248500    2.26585800
 C                  3.31901700   -2.41814600    0.00092200
 H                  3.58590500   -3.26599900    0.64562200
 H                  3.61216800   -2.64254000   -1.03050400
 H                  3.93737200   -1.56988200    0.34820600
 H                  1.58547200   -1.89995600   -2.02176400
 H                 -0.85567800   -1.46512300   -1.85546900
 H                 -3.55539200    0.16092400   -0.96159400
 H                 -3.56231300    1.78490300    0.77353500
 H                 -2.06967500    1.11109200    1.41191300
 H                  0.10353800    2.81390400   -1.20636500
 H                 -0.47808900    1.15686300   -1.37527100
 H                  0.07578500    0.68083100    1.02023900
 H                  0.51714000    2.33332500    1.29528000
 H                  1.72855700    1.15884300   -1.96576200
 H                  4.13845900    0.73762200   -2.34920300

solventname=HFIP
eps=16.7
epsinf=1.625625




