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

Title Card Required

0 2
 C                  3.19081800   -0.29477000   -2.65014800
 C                  1.91496500    0.11561700   -2.38147100
 C                  1.52876200    0.42110200   -1.05154600
 C                  2.49223700    0.28434000    0.00114400
 C                  3.77513700   -0.11317200   -0.25266900
 C                  4.14094000   -0.41714500   -1.58903600
 H                  4.49630500   -0.20513800    0.55528400
 H                  2.15067800    0.50048800    1.02001700
 C                  0.18313300    0.88820300   -0.66729500
 C                 -0.84773700    1.08706100   -1.76114600
 C                 -2.20770700    1.60970900   -1.26850700
 C                 -2.05502200    2.95723400   -0.56231000
 H                 -3.04312700    3.37418800   -0.31702100
 H                 -1.54341200    3.67689000   -1.21872700
 H                 -1.48450500    2.88246500    0.37436400
 C                 -3.11934700    1.79014900   -2.48099200
 H                 -2.71555800    2.56051900   -3.15368700
 H                 -4.12624400    2.10948700   -2.17251000
 H                 -3.21802200    0.86224300   -3.06232400
 C                 -2.85722900    0.64105300   -0.27386700
 N                 -3.15702400   -0.66157900   -0.87917600
 S                 -3.07715300   -2.01651700    0.08800200
 O                 -3.41682300   -1.71225500    1.47589700
 O                 -3.83041400   -3.04073800   -0.63256100
 C                 -1.34922300   -2.41145500    0.02648500
 C                 -0.83126700   -2.95126100   -1.15343700
 C                  0.51890200   -3.25196800   -1.21692100
 C                  1.36220400   -3.02219200   -0.11747900
 C                  0.82075900   -2.45782500    1.03859000
 C                 -0.53535200   -2.15193500    1.12235000
 H                 -0.94046400   -1.68387800    2.01732200
 H                  1.46723500   -2.23581300    1.88688100
 C                  2.81000000   -3.39118200   -0.19636400
 H                  2.93741200   -4.48279900   -0.15929900
 H                  3.25629000   -3.05907800   -1.14574000
 H                  3.38368200   -2.96216900    0.63444500
 H                  0.93853100   -3.67374700   -2.13088600
 H                 -1.48294300   -3.13114100   -2.00752900
 H                 -4.02540200   -0.69076000   -1.41557300
 H                 -3.77366300    1.09489900    0.13736500
 H                 -2.19266500    0.47362100    0.58578300
 H                 -0.46288000    1.80425200   -2.50562300
 H                 -1.00720100    0.13760700   -2.29814400
 H                 -0.17015100    0.17183400    0.10116400
 H                  0.32553600    1.79963900   -0.05179400
 H                  1.19311100    0.20612700   -3.19002300
 H                  3.51926400   -0.54057300   -3.65771500
 O                  5.32816300   -0.83738100   -1.95674500
 C                  6.35238400   -1.05185900   -0.97386800
 H                  6.02771500   -1.81000900   -0.25184500
 H                  7.21986100   -1.40943200   -1.52998800
 H                  6.59164500   -0.11247000   -0.46368400
 O                  0.65466200    0.36283600    2.56257600
 C                 -0.00495600    1.41922200    2.55442700
 O                  0.23656900    2.53216900    2.05343100
 C                 -1.35538700    1.36001000    3.31937200
 F                 -1.24718700    1.97918100    4.51034700
 F                 -1.78323900    0.11488300    3.56604600
 F                 -2.34655600    1.98004400    2.65467700

solventname=HFIP
eps=16.7
epsinf=1.625625




