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

Title Card Required

0 1
 C                 -0.91060400   -2.10490900    1.45524300
 C                  0.46298700   -2.24615500    1.25430200
 C                  1.01589900   -2.36000900   -0.02257500
 C                  0.13784000   -2.30879400   -1.11257400
 C                 -1.23085600   -2.16877800   -0.93612500
 C                 -1.76812200   -2.08509300    0.35287600
 O                 -3.11812900   -1.99900000    0.43062100
 C                 -3.70174000   -1.94914500    1.71438300
 H                 -4.78207800   -1.87284600    1.55855000
 H                 -3.35936600   -1.07324100    2.28594100
 H                 -3.48376800   -2.86007600    2.29121500
 H                 -1.91068300   -2.14108300   -1.78740200
 H                  0.54021700   -2.38849700   -2.12439000
 C                  2.49588500   -2.58372300   -0.20969300
 C                  3.42449200   -1.47198500    0.29025200
 C                  3.51959800   -0.17774200   -0.53612100
 C                  4.58116600    0.71478700    0.10452300
 H                  4.34610200    0.93111600    1.15519600
 H                  5.56688000    0.22855800    0.07022200
 H                  4.65902400    1.67506400   -0.42701400
 C                  3.93450200   -0.48328600   -1.97449800
 H                  3.15401900   -1.02557600   -2.52725900
 H                  4.84885300   -1.09423400   -1.99391700
 H                  4.14003300    0.44739100   -2.52327700
 C                  2.19246400    0.58462500   -0.61148500
 N                  1.68766600    0.95826800    0.71360300
 S                  0.65565300    2.25851400    0.82604200
 O                  0.36012900    2.40760700    2.24680500
 O                  1.27019600    3.34977400    0.07776300
 C                 -0.84863300    1.79553000    0.00593000
 C                 -1.95393500    1.42495600    0.77166100
 C                 -3.11290600    1.01738700    0.12885900
 C                 -3.17589100    0.93769300   -1.26658600
 C                 -2.05730800    1.32016300   -2.01155500
 C                 -0.89552900    1.76013500   -1.38624200
 H                 -0.03941000    2.07979300   -1.97813100
 H                 -2.09883200    1.27584400   -3.09987000
 C                 -4.41681400    0.42518900   -1.92767500
 H                 -5.29735600    1.01583900   -1.63999700
 H                 -4.33434200    0.44416000   -3.02076700
 H                 -4.61301600   -0.61111100   -1.61649300
 H                 -3.98889300    0.74148000    0.71677500
 H                 -1.90121500    1.46961200    1.85811300
 H                  1.29642200    0.16911400    1.23710500
 H                  2.36596100    1.51642500   -1.16691900
 H                  1.44317600   -0.00284800   -1.16692900
 H                  4.44419900   -1.88730600    0.34182700
 H                  3.16118400   -1.21806300    1.33113600
 H                  2.69914500   -2.79467800   -1.26992100
 H                  2.77460500   -3.50143400    0.33211900
 H                  1.11823300   -2.29112900    2.12707200
 H                 -1.29867700   -2.03263600    2.46875900

solventname=HFIP
eps=16.7
epsinf=1.625625




