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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  H          -0.52611678316069     -1.28186853995400      1.64044283646392
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  C          -7.82395876210133      1.03091072260987      4.04001719635459
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  H          -7.93499592526043     -5.28918037277144     -4.88985445796327
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  C          -4.04172536282364      1.37544272132343     -3.53322034437660
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  H          -5.86677755652465     -0.83627970280168     -5.35356247553603
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  H          -3.68375691428115      1.54546368934482     -2.52043322088007
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  Ni         -6.37803512729213      0.03535384699996     -0.89091202227483
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  H          -8.34923126202486      0.44535974227356     -2.53767234317666
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  H          -6.30576624225452      2.71082401620668     -2.17461849614235
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  C          -7.80978056744149      2.47040618203414      0.17546931370466
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  H          -8.06292627322796      4.43777341450873     -2.58481140138605
  H          -9.29843658825882      3.18116363674703     -2.59049468811061
  H          -6.74023637332551      2.70041181621363      0.26658717469077
  H          -8.18658156101716      2.40237632071023      1.20076456339365
  S         -10.41808156252877      0.14311736660153     -0.57937999007182
  H          -8.09891827855859      4.56236304989552     -0.26224239248879
  H          -9.57469631751756      3.60962255429167     -0.36124732933890
  O         -10.51389569199802     -1.03331448179943     -1.44151017144826
  O         -10.92542824447476      1.44142889778846     -1.01394216272997
  C         -11.28933468064419     -0.30002605744474      1.04849032997956
  F         -12.58795333179281     -0.48674383798432      0.79494119310195
  F         -11.15036885125602      0.69321124059769      1.93056135375467
  F         -10.77522133944360     -1.42079185307561      1.56228798879977
*

