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

Title Card Required

0 1
 C                  3.64074900    0.35363900   -1.14190400
 C                  2.35609300    0.56193200   -0.65104100
 C                  2.07380800    1.63620600    0.19819400
 C                  3.11115900    2.50776000    0.53533600
 C                  4.40016400    2.30687300    0.04413400
 C                  4.67022600    1.22766200   -0.79338500
 H                  5.67845600    1.06717300   -1.17315600
 H                  5.19812500    2.99511900    0.32127300
 H                  2.90483400    3.35156000    1.19603700
 C                  0.67307100    1.84463700    0.70269300
 C                 -0.25318300    2.36839000   -0.39595000
 C                 -1.72589700    2.56267000   -0.00824100
 C                 -1.85871600    3.49928100    1.19186100
 H                 -2.91368500    3.74968800    1.37521200
 H                 -1.31708800    4.43903200    1.00981200
 H                 -1.46017700    3.05204100    2.11328100
 C                 -2.46005100    3.18415100   -1.19619800
 H                 -2.08034700    4.19690100   -1.39327700
 H                 -3.53963400    3.26337800   -0.99750700
 H                 -2.32252300    2.59895800   -2.11694100
 C                 -2.39046500    1.23788700    0.37985000
 N                 -2.41133700    0.27817700   -0.73092500
 S                 -2.63782000   -1.33248000   -0.35217900
 O                 -3.38274400   -1.48280000    0.89663500
 O                 -3.14421300   -1.94609300   -1.57721300
 C                 -0.98258300   -1.89939400   -0.06320400
 C                 -0.21486300   -2.31173000   -1.14928100
 C                  1.08950700   -2.73805500   -0.92995300
 C                  1.64146500   -2.73822700    0.35498200
 C                  0.84663900   -2.31951600    1.42831000
 C                 -0.46506600   -1.90729100    1.23113800
 H                 -1.08548500   -1.60268400    2.07226200
 H                  1.26497100   -2.32180200    2.43513000
 C                  3.06117900   -3.15309100    0.58743700
 H                  3.12313100   -3.97774400    1.31051300
 H                  3.54537700   -3.47558900   -0.34200900
 H                  3.64655900   -2.32057800    1.00320000
 H                  1.69841600   -3.06622600   -1.77278400
 H                 -0.63742300   -2.30664300   -2.15256600
 H                 -3.06475200    0.52111400   -1.47813600
 H                 -3.41133800    1.43351300    0.74805600
 H                 -1.83823300    0.77502200    1.20979500
 H                  0.13713000    3.33765300   -0.75140400
 H                 -0.20246100    1.68347800   -1.25827800
 H                  0.28748400    0.88564100    1.08636700
 H                  0.68914600    2.54415000    1.55136800
 H                  1.54999800   -0.12389200   -0.92023500
 H                  3.83958000   -0.49721500   -1.79461200

solventname=HFIP
eps=16.7
epsinf=1.625625



