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

Title Card Required

0 2
 C                  3.74402800    1.04550600   -1.25104100
 C                  2.45038400    1.42553100   -1.00388900
 C                  1.90357900    1.33261900    0.30374300
 C                  2.75038500    0.86722300    1.34732900
 C                  4.05451400    0.49930800    1.11588500
 C                  4.56407700    0.57962300   -0.19624400
 H                  4.67626400    0.14842600    1.93555400
 H                  2.34492000    0.82898200    2.35870400
 C                  0.58288100    1.79282700    0.64384800
 C                 -0.42123800    2.13557200   -0.43556500
 C                 -1.86898400    2.32177200    0.04585000
 C                 -1.96476900    3.29366600    1.22106900
 H                 -3.01846900    3.51472000    1.44488900
 H                 -1.45799400    4.24138000    0.99484800
 H                 -1.51526800    2.88138700    2.13586400
 C                 -2.69276000    2.87301900   -1.11665900
 H                 -2.36385800    3.89089800   -1.37010100
 H                 -3.76062600    2.92050600   -0.85535200
 H                 -2.58860600    2.25681500   -2.02104000
 C                 -2.45781400    0.98745200    0.51354900
 N                 -2.55090300    0.01133700   -0.57665500
 S                 -2.43866300   -1.60180500   -0.18142900
 O                 -3.00419700   -1.88136300    1.13752600
 O                 -2.95446200   -2.31484100   -1.34770300
 C                 -0.68429200   -1.84002600   -0.07671500
 C                  0.07352800   -1.75525000   -1.24556100
 C                  1.43448300   -2.01180200   -1.18511400
 C                  2.04994100   -2.35863600    0.02582900
 C                  1.27263700   -2.40600600    1.18579900
 C                 -0.09562800   -2.15539300    1.14304600
 H                 -0.70451500   -2.21080800    2.04339000
 H                  1.74564600   -2.65452700    2.13605500
 C                  3.50751400   -2.69832500    0.06201900
 H                  3.67211300   -3.73138900   -0.27750600
 H                  4.09137000   -2.04935700   -0.60589200
 H                  3.91558400   -2.61799600    1.07724100
 H                  2.03637700   -1.95523000   -2.09263300
 H                 -0.40215800   -1.49711900   -2.19112100
 H                 -3.35097500    0.14383500   -1.19767900
 H                 -3.44662000    1.15617600    0.96993200
 H                 -1.81960500    0.55743100    1.29940400
 H                 -0.10503900    3.06314400   -0.94307000
 H                 -0.41815600    1.35196500   -1.21312600
 H                  0.17751100    1.27195900    1.52445400
 H                  0.86657300    2.86950500    1.19509200
 H                  1.82900500    1.78526200   -1.82201500
 H                  4.17100700    1.09042000   -2.25102200
 O                  5.80072800    0.23417800   -0.54456200
 C                  6.69525500   -0.24258100    0.45696700
 H                  6.31332600   -1.16340400    0.91611200
 H                  7.63503000   -0.45299500   -0.05770200
 H                  6.85951500    0.51980500    1.22869300
 O                  0.89839600    2.96119100    3.70845900
 C                  0.89239100    3.99016500    3.04738300
 O                  1.04756100    4.16349400    1.79345700
 C                  0.58742300    5.32928300    3.75605100
 F                  1.45789800    6.28679800    3.42048500
 F                  0.59968800    5.21751100    5.08250700
 F                 -0.63386300    5.75408600    3.39568800

solventname=HFIP
eps=16.7
epsinf=1.625625




