! wb97m-v ma-def2-qzvp SP TIGHTSCF SMD(benzene)

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
  C           3.05304785136014     -1.52459366274785     -0.33879617290094
  C           2.61234613260502     -0.69218249639283     -1.56273059324828
  C           3.17501482333643      1.69359739450967      0.33041978393023
  C           1.24320754876973     -0.09157818796452     -1.40778485949245
  C           1.65667643856461      1.86888740200883      0.25208318601931
  C           0.89300900924501      0.92327608149827     -0.62143714556709
  H           4.09999833543862     -1.82064913302050     -0.49001640962012
  H           2.60344027988527     -1.34464345984077     -2.44240431970658
  H           3.59815929544975      1.66735273150639     -0.67691964956477
  H           1.42594039868923      2.87921812744075     -0.11656122147902
  H           2.46606299610250     -2.45199419465995     -0.31398351917529
  H           3.35923650671707      0.07665734885438     -1.77162752341529
  H           3.57800031012661      2.60709672845345      0.78483964945157
  H           1.22645791550576      1.82240054777054      1.26281926947648
  C           2.90146220408974     -0.82527660852355      1.01193467722877
  H           3.26116781446661     -1.51476335297267      1.78659046715933
  H           1.83662712482434     -0.67186554971728      1.22753146909321
  C           3.65051335340107      0.50140312273986      1.18170462580974
  H           3.56089535188345      0.79014829035930      2.23741595837948
  H           4.72314224286058      0.34593576894282      1.00002902034540
  H           0.43499653567719     -0.56095826478215     -1.96427606672883
  O          -0.49676841349615      1.30312663788754     -0.68755466475609
  S          -1.51092476904103      0.77848843770113      0.48155190520342
  C          -2.06315036856941     -0.90046821699285     -0.23277839494941
  O          -0.79400184809736      0.47706536642137      1.71493781748177
  O          -2.67112990813370      1.64764770217561      0.41399784327819
  F          -2.35563579715343     -0.77816683349938     -1.52858178840713
  F          -3.15023421986834     -1.28935248040389      0.43472973282429
  F          -1.10128614463936     -1.81383024675170     -0.07813407666989
*

