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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  H          -5.83924581976338      2.56191170105625     -2.25703791249032
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  S         -10.42415633390967      0.52136634034844     -1.47971462371580
  H          -4.25633483614420      2.68265164788179     -0.64381520217567
  H          -5.07952111319845      1.31450149976863      0.07498029755725
  C          -5.45846909709996      3.21782207375038      1.04620368398501
  C          -6.83187502452267      3.00840019614688      1.68116733518472
  H          -7.51848301963441      1.42301121483979      2.99451547824333
  H          -6.28405178948626      0.90012718709010      1.87611441821856
  C         -11.69745048287533     -0.27182372566767     -0.31379482943122
  O         -10.43428320231921      1.95825366070864     -1.22549366866018
  O         -10.70570143733887     -0.03893144140440     -2.79909578381780
  H          -5.34184035076166      4.28025230950686      0.78989765479504
  H          -4.67709814173134      2.99104181222824      1.78550465254349
  H          -7.60449048903969      3.43896955383992      1.03070615396990
  H          -6.87550861798382      3.58603118451266      2.61251989917903
  F         -11.61685252127204     -1.60330474861408     -0.38477618190440
  F         -12.92134804730295      0.11689082678703     -0.68372734101939
  F         -11.47623783290913      0.11445770387654      0.94642418579769
*

