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

Title Card Required

1 1
 C                 -1.17380600   -0.98560500   -0.15851400
 C                  0.06176200   -1.34291000    0.42182800
 C                  1.25117600   -0.91716800   -0.21256000
 C                  2.49178300   -1.19475700    0.31867600
 C                  2.56910600   -1.87950900    1.54395000
 C                  1.39375600   -2.31816600    2.19360400
 C                  0.16663100   -2.06395600    1.64051300
 H                 -0.73196600   -2.38999400    2.16177700
 H                  1.49524700   -2.84623300    3.13920400
 O                  3.70428300   -2.15455100    2.17576000
 C                  4.93226900   -1.68332400    1.62803100
 H                  4.92840500   -0.58752900    1.55435200
 H                  5.11849800   -2.12464400    0.64118400
 H                  5.71132200   -2.00092900    2.32401700
 H                  3.38953100   -0.86989700   -0.20036300
 H                  1.17922700   -0.36806300   -1.15104700
 N                 -1.95193700    0.69861900    1.13533900
 S                 -1.57067600    2.35010400    0.87874700
 O                 -1.96128400    3.10245800    2.06566600
 O                 -2.13866300    2.70047700   -0.41484900
 C                  0.18906800    2.27782200    0.77540100
 C                  0.93363800    2.04942500    1.93178100
 C                  2.31926300    2.02910900    1.83872200
 C                  2.96368200    2.25958400    0.61821000
 C                  2.18733100    2.49125200   -0.52320100
 C                  0.80115800    2.49485800   -0.45784700
 H                  0.19778500    2.67526700   -1.34548000
 H                  2.68196500    2.67118700   -1.47783400
 C                  4.45723000    2.25698300    0.51955100
 H                  4.80599000    1.50504900   -0.20247200
 H                  4.82777900    3.22803200    0.16333100
 H                  4.92810300    2.05067800    1.48793500
 H                  2.91570800    1.84089600    2.73143600
 H                  0.44452800    1.89594600    2.89350600
 C                 -3.39240200    0.35447200    1.13317300
 C                 -3.66451500   -0.67839200    0.02957100
 C                 -4.94766800   -1.43061200    0.35409300
 H                 -4.86530300   -1.97232400    1.30689500
 H                 -5.79345600   -0.73280000    0.43075400
 H                 -5.18294100   -2.15726500   -0.43560200
 C                 -3.80255700   -0.00597400   -1.33320500
 H                 -4.69804300    0.63091900   -1.34451000
 H                 -3.91430500   -0.76141200   -2.12370300
 H                 -2.95114300    0.63749600   -1.58637000
 C                 -2.47315000   -1.64771600    0.06352500
 H                 -2.58225900   -2.37015100   -0.76646100
 H                 -2.47809000   -2.23084700    0.99555100
 H                 -4.01046100    1.25129900    0.98686300
 H                 -3.63771200   -0.06408100    2.11686300
 H                 -1.10372800   -0.35550700   -1.04971600
 H                 -1.50502100    0.40912000    2.01232100

solventname=HFIP
eps=16.7
epsinf=1.625625


