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

Title Card Required

0 2
 C                  3.73289800    0.93921000   -1.37747500
 C                  2.41975600    1.32329400   -1.20355700
 C                  1.86252500    1.48635900    0.09613700
 C                  2.72732400    1.24263700    1.19399400
 C                  4.04938700    0.86513400    1.02454300
 C                  4.56352100    0.70326400   -0.26955000
 H                  4.67177800    0.68720300    1.89893900
 H                  2.32960100    1.35590600    2.20395200
 C                  0.52079100    1.86566000    0.31105300
 C                 -0.43877600    2.20201700   -0.77882200
 C                 -1.87046100    2.52219500   -0.32485500
 C                 -1.88652400    3.71169400    0.63365400
 H                 -2.91943700    3.99635500    0.88178400
 H                 -1.39967300    4.58303300    0.17223600
 H                 -1.36758600    3.49681100    1.57797200
 C                 -2.70707800    2.87467900   -1.55317800
 H                 -2.32961900    3.79374400   -2.02396200
 H                 -3.75887000    3.04628200   -1.27882800
 H                 -2.67600300    2.07950100   -2.31144200
 C                 -2.48910300    1.32657000    0.40417800
 N                 -2.62383000    0.15760900   -0.47159800
 S                 -2.52411300   -1.35067700    0.22533800
 O                 -3.04096100   -1.35315000    1.59339200
 O                 -3.10248400   -2.26240800   -0.75945400
 C                 -0.77300000   -1.61679400    0.31039000
 C                 -0.05857700   -1.76086900   -0.87979600
 C                  1.29667400   -2.04585100   -0.82073700
 C                  1.94879200   -2.19943500    0.41039600
 C                  1.21504100   -2.02214700    1.58564800
 C                 -0.14611700   -1.73510700    1.54582300
 H                 -0.72120800   -1.61305300    2.46167800
 H                  1.71761100   -2.11920500    2.54827600
 C                  3.39721300   -2.57611300    0.45637400
 H                  3.52366700   -3.65083200    0.25985300
 H                  3.97721900   -2.04144400   -0.30800600
 H                  3.83643000   -2.36774400    1.43979400
 H                  1.86599500   -2.16120100   -1.74363700
 H                 -0.56232400   -1.65242100   -1.83976900
 H                 -3.43519400    0.18126900   -1.09137600
 H                 -3.46727400    1.60909100    0.82642200
 H                 -1.84965300    1.03906100    1.25111100
 H                 -0.06711500    3.07202700   -1.35529000
 H                 -0.48140800    1.37574900   -1.51252100
 H                  0.19872200    1.95620300    1.35116000
 H                  1.79598800    1.49529800   -2.08051300
 H                  4.15344400    0.80760600   -2.37388500
 O                  5.82911500    0.31418400   -0.55238900
 C                  6.70068400    0.06338800    0.52986400
 H                  6.33059700   -0.75204200    1.16886800
 H                  7.65783900   -0.23339100    0.09209200
 H                  6.85019700    0.96250600    1.14535700

solventname=HFIP
eps=16.7
epsinf=1.625625




