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

Title Card Required

0 2
 C                  3.78095800    1.22595700   -1.00049300
 C                  2.43713200    1.46470700   -0.81390100
 C                  1.80974200    1.20065300    0.43701100
 C                  2.63625000    0.70216800    1.47899400
 C                  3.98805400    0.46973100    1.29711400
 C                  4.57222700    0.72251500    0.04698400
 H                  4.58059100    0.08321000    2.12330500
 H                  2.18168900    0.49986700    2.45031400
 C                  0.43304600    1.43059400    0.66662500
 C                 -0.50329500    2.00464600   -0.34453100
 C                 -1.94836400    2.19988000    0.13671000
 C                 -2.00056000    3.12144800    1.35457800
 H                 -3.04199700    3.31958100    1.64628100
 H                 -1.52936000    4.08955300    1.12762600
 H                 -1.49101500    2.68960200    2.22772600
 C                 -2.75708100    2.83283700   -0.99333600
 H                 -2.37239600    3.83609100   -1.22622200
 H                 -3.81517600    2.93641500   -0.71006600
 H                 -2.70578900    2.23666600   -1.91537900
 C                 -2.57307300    0.86008700    0.53744900
 N                 -2.64677800   -0.07177800   -0.59253700
 S                 -2.49451400   -1.70020500   -0.28416800
 O                 -3.02663000   -2.05688900    1.03028700
 O                 -3.02527400   -2.35928700   -1.47550700
 C                 -0.73522400   -1.91929600   -0.22912500
 C                  0.00390000   -1.71696200   -1.39588000
 C                  1.37019800   -1.94974600   -1.37607800
 C                  2.01011300   -2.39454700   -0.21052800
 C                  1.24934800   -2.56870900    0.94772000
 C                 -0.12303600   -2.33664800    0.94734400
 H                 -0.71716600   -2.48429400    1.84709700
 H                  1.73980200   -2.89691400    1.86438900
 C                  3.47659100   -2.69734300   -0.22302200
 H                  3.67058100   -3.65513300   -0.72734900
 H                  4.04180200   -1.92973800   -0.76962800
 H                  3.88107600   -2.77177700    0.79397200
 H                  1.95898700   -1.79175500   -2.28028800
 H                 -0.48921700   -1.38051300   -2.30732400
 H                 -3.44356700    0.07295700   -1.21431800
 H                 -3.57439700    1.02880300    0.96555300
 H                 -1.97083800    0.38787700    1.32644300
 H                 -0.12894900    2.98510200   -0.69887300
 H                 -0.51560700    1.36846300   -1.24898800
 H                  0.04908900    1.13849000    1.64698200
 H                  1.29171600    3.21325500    1.34706200
 H                  1.84197000    1.84775400   -1.64228000
 H                  4.25829800    1.41604900   -1.96088600
 O                  5.87103000    0.50667600   -0.25016100
 C                  6.70399700   -0.02808800    0.75982000
 H                  6.35103600   -1.01571700    1.09070500
 H                  7.69712700   -0.13288900    0.31484900
 H                  6.76675100    0.64340500    1.62803200
 O                  0.80417700    3.21692400    3.65611900
 C                  1.02341700    4.16357700    2.94750600
 O                  1.32532100    4.15163500    1.66261800
 C                  0.96614100    5.61603500    3.44277300
 F                  2.12823600    6.23046700    3.22797600
 F                  0.69420300    5.65930000    4.73689300
 F                  0.01677600    6.28117300    2.78334000

solventname=HFIP
eps=16.7
epsinf=1.625625




