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

Title Card Required

1 1
 C                  3.77910400    0.98599900   -1.33705300
 C                  2.46235300    1.31537800   -1.23727300
 C                  1.83431100    1.41462500    0.04813700
 C                  2.62400900    1.15026300    1.21074900
 C                  3.95024600    0.82586400    1.12027600
 C                  4.53940600    0.73341100   -0.16139800
 H                  4.53144500    0.63096400    2.01690500
 H                  2.14584500    1.21770900    2.18731100
 C                  0.50517600    1.73475500    0.21458900
 C                 -0.46680300    2.03441900   -0.85421400
 C                 -1.86018300    2.47850200   -0.38931000
 C                 -1.76575900    3.74916700    0.45162500
 H                 -2.76788600    4.09548100    0.74073100
 H                 -1.28238500    4.55430900   -0.11933500
 H                 -1.18996000    3.59708200    1.37588000
 C                 -2.70599900    2.75997100   -1.62820100
 H                 -2.27499400    3.58711100   -2.20977900
 H                 -3.72865200    3.04590500   -1.34297000
 H                 -2.76584200    1.88407500   -2.28928000
 C                 -2.52125300    1.38816700    0.45900700
 N                 -2.69724800    0.14058100   -0.28905400
 S                 -2.50601600   -1.30558100    0.51380900
 O                 -2.86637700   -1.19204400    1.92556700
 O                 -3.17733600   -2.29381800   -0.32585100
 C                 -0.75096800   -1.55975200    0.42899000
 C                 -0.15527700   -1.71951100   -0.82356700
 C                  1.20126600   -1.99510300   -0.89365900
 C                  1.97102400   -2.13190100    0.27094800
 C                  1.35107100   -1.95730200    1.51115300
 C                 -0.00882800   -1.67552100    1.59985100
 H                 -0.49437300   -1.55119900    2.56580300
 H                  1.94326700   -2.04888900    2.42208300
 C                  3.42320700   -2.48063900    0.17882800
 H                  3.55474400   -3.56699300    0.06943100
 H                  3.89412700   -2.01578800   -0.69817800
 H                  3.97134300   -2.17633000    1.07990800
 H                  1.67935100   -2.11770500   -1.86594500
 H                 -0.75069900   -1.62646000   -1.73137700
 H                 -3.54086100    0.09651600   -0.86184800
 H                 -3.48898000    1.75328700    0.83659400
 H                 -1.90857600    1.17149300    1.34628700
 H                 -0.03803400    2.80133300   -1.52296600
 H                 -0.55774900    1.13273500   -1.48800400
 H                  0.15443600    1.76272000    1.25111100
 H                  1.88035000    1.50464300   -2.13727600
 H                  4.28059200    0.89975800   -2.29815300
 O                  5.79522300    0.40785000   -0.37019800
 C                  6.64950300    0.10469600    0.73964700
 H                  6.26376800   -0.75910600    1.29379900
 H                  7.62028200   -0.13654900    0.30396600
 H                  6.74200400    0.97307900    1.40153700

solventname=HFIP
eps=16.7
epsinf=1.625625




