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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
  C           1.55259615028180      0.84185364757598      0.09252109736038
  C           2.18352096057968      0.29105497650887      1.12387787011783
  C           3.65639613231632      0.20471141331065      0.83486204981540
  C           3.73882552463357      0.47776938060339     -0.69079278277897
  C           2.44233631966683      1.23717235337618     -1.04827954360558
  H           1.71816953827493      0.00561074653185      2.06074664007413
  H           4.19951091758470      0.96388433657892      1.41653401330028
  H           4.08523273885549     -0.76619837411421      1.10685385107239
  H           4.64161886515192      1.02500211021195     -0.97346481170172
  H           3.74584563535757     -0.47859633438164     -1.22311407526403
  H           2.57825925578193      2.32855248550723     -1.04935657594203
  H           2.03585072079562      0.95467913008624     -2.02361019044474
  O           0.19969883676408      1.22101336841257      0.12771467756213
  S          -0.87888828632509      0.37786552152944     -0.79163286093695
  O          -0.19914968075581     -0.36324423256512     -1.84475817343814
  O          -1.99513885417191      1.27607603492304     -1.01612944841357
  C          -1.44915487579609     -0.89223047552515      0.50388314559439
  F          -2.40871525683704     -1.64071361782275     -0.04115029114778
  F          -0.42500531784137     -1.67046268342432      0.86067150958756
  F          -1.92577232431710     -0.26333378732312      1.57649289918903
*

