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

Title Card Required

1 1
 C                 -1.26159600   -0.86710100   -0.60077800
 C                  0.05378300   -1.32276200   -0.04794000
 C                  1.20361900   -1.24902000   -0.82876400
 C                  2.43792300   -1.67691800   -0.34637500
 C                  2.52953300   -2.18195800    0.95298400
 C                  1.37646800   -2.26708600    1.74664100
 C                  0.15583100   -1.85287500    1.24657400
 H                 -0.73021600   -1.93476900    1.88031000
 H                  1.46648900   -2.66968100    2.75390800
 O                  3.67056300   -2.60900600    1.52906800
 C                  4.86185300   -2.55176600    0.76811800
 H                  5.10548800   -1.51917700    0.47976000
 H                  4.79219400   -3.17367000   -0.13560700
 H                  5.65525400   -2.94059400    1.41174000
 H                  3.31548100   -1.60232900   -0.98442800
 H                  1.13964600   -0.84412400   -1.83925600
 N                 -1.93067300    0.19890600    0.30118400
 S                 -1.54601100    1.96535300   -0.10249500
 O                 -2.08728800    2.64970400    1.05409500
 O                 -2.08995300    2.14788200   -1.43156300
 C                  0.19894400    1.96631800   -0.11584500
 C                  0.88400400    1.79422700    1.08920700
 C                  2.26842000    1.76115100    1.05411500
 C                  2.96446300    1.91941400   -0.15117500
 C                  2.24352300    2.11124200   -1.33649000
 C                  0.85836400    2.12510900   -1.33588900
 H                  0.29720200    2.25641700   -2.25863600
 H                  2.78145100    2.23782600   -2.27532200
 C                  4.45783100    1.88269300   -0.18181100
 H                  4.81878400    1.23898100   -0.99496900
 H                  4.86625400    2.88652900   -0.36568900
 H                  4.87260800    1.51985400    0.76544400
 H                  2.82496400    1.60663300    1.97748200
 H                  0.35245300    1.67572800    2.03293100
 C                 -3.43506400   -0.05113400    0.29926800
 C                 -3.67744800   -1.15330400   -0.73680300
 C                 -4.85156600   -2.02301900   -0.31122700
 H                 -4.68233600   -2.46721500    0.67938400
 H                 -5.78099000   -1.43805100   -0.27230400
 H                 -4.99913200   -2.83850600   -1.03218800
 C                 -3.94542100   -0.57065200   -2.12206900
 H                 -4.86113100    0.03660800   -2.10993600
 H                 -4.08537400   -1.38273600   -2.84837500
 H                 -3.13236700    0.07068900   -2.48555400
 C                 -2.35525200   -1.92100500   -0.69582000
 H                 -2.20135400   -2.55334700   -1.57934000
 H                 -2.31788500   -2.56580600    0.19597900
 H                 -3.96855900    0.88196200    0.08462000
 H                 -3.68671900   -0.37471900    1.31454400
 H                 -1.11455500   -0.37756400   -1.57317200
 H                 -1.58454700    0.07955100    1.26503300

solventname=HFIP
eps=16.7
epsinf=1.625625


