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

Title Card Required

1 2
 C                  3.73561600    1.00388100   -1.46883900
 C                  2.42389600    1.30637800   -1.23457200
 C                  1.93457200    1.40265100    0.09393400
 C                  2.83891400    1.17199500    1.17649100
 C                  4.15519200    0.87510600    0.96769900
 C                  4.62213200    0.77533600   -0.37204800
 H                  4.82620400    0.70961400    1.80599400
 H                  2.45369300    1.24760800    2.19289100
 C                  0.53075600    1.74855500    0.42972700
 C                 -0.39502300    2.08382700   -0.72656400
 C                 -1.82799200    2.47168500   -0.32898000
 C                 -1.83271400    3.66414900    0.62649700
 H                 -2.85830600    4.02644900    0.78587100
 H                 -1.24354600    4.49550700    0.21298500
 H                 -1.41821400    3.41027700    1.61251900
 C                 -2.58436500    2.85599200   -1.59946400
 H                 -2.14072200    3.75292400   -2.05490300
 H                 -3.63861200    3.07845700   -1.37734800
 H                 -2.55447800    2.05375300   -2.35035200
 C                 -2.55273700    1.32064600    0.37657700
 N                 -2.69499200    0.13837700   -0.47975600
 S                 -2.63252800   -1.36229300    0.23619600
 O                 -3.19270700   -1.34969100    1.58621400
 O                 -3.17427400   -2.28323600   -0.75926300
 C                 -0.88218700   -1.61875600    0.38523600
 C                 -0.12658700   -1.74221200   -0.78061700
 C                  1.23809700   -1.96209600   -0.67722200
 C                  1.85961500   -2.06992400    0.57648800
 C                  1.08104900   -1.92333200    1.72829000
 C                 -0.29069200   -1.70461100    1.64202900
 H                 -0.90028400   -1.60294000    2.53800200
 H                  1.55563400   -1.99473800    2.70699100
 C                  3.31983900   -2.37959200    0.66791600
 H                  3.48904500   -3.46365000    0.59064900
 H                  3.88108300   -1.91727900   -0.15666500
 H                  3.74802400   -2.05015600    1.62286600
 H                  1.83966300   -2.06425800   -1.58085400
 H                 -0.60420900   -1.66313100   -1.75651100
 H                 -3.48480000    0.16888300   -1.12656400
 H                 -3.54046100    1.66607100    0.72132100
 H                 -1.99826000    1.02324700    1.27828800
 H                  0.03163400    2.92415600   -1.29903000
 H                 -0.44409100    1.22756400   -1.41810600
 H                  0.13943300    0.89811700    1.02269900
 H                  0.57407300    2.57490200    1.16143600
 H                  1.75058300    1.47487800   -2.07142300
 H                  4.13848200    0.92045600   -2.47569300
 O                  5.84791700    0.46264100   -0.70630400
 C                  6.82541300    0.16128700    0.30427500
 H                  6.50225600   -0.70763500    0.88851600
 H                  7.74221600   -0.06983500   -0.23908500
 H                  6.97824100    1.03055500    0.95263600

solventname=HFIP
eps=16.7
epsinf=1.625625




