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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
  C           1.05460729527322      1.65114755296969      0.02235142019767
  H           0.76106468526465      0.82343454245117      0.66949730634662
  C           1.09941717454935      2.85632931767735      0.59428313697216
  H           0.85891117781357      2.89245543591263      1.65703631759141
  C           3.48095320570388      2.55900891407533     -1.75854912533856
  H           4.29084174694753      1.95783506836349     -2.17238581481248
  C           3.82983228861616      3.46355650267306     -0.84111453370032
  H           4.89418849178396      3.52777227515770     -0.61070664347631
  C           1.47007726222039      4.18438012547110     -0.01490009667714
  C           1.34690786557856      1.23088257573733     -1.38951224191350
  C           2.10986349250960      2.22171040188483     -2.28623018258294
  C           2.98897882218088      4.42744673075258     -0.05423674818476
  H           1.02644033408559      4.97855905882997      0.59772091015824
  H           1.04050567383241      4.30708298326733     -1.01063395429811
  H           3.36643647693385      4.42629305357667      0.97867730528582
  H           3.17965766008627      5.44655717776147     -0.42680764810886
  H           1.51059704771223      3.11756712316779     -2.45687956590691
  H           2.22672792527096      1.75159017929472     -3.27012964125688
  H           1.92147058398382      0.29434135592906     -1.34165345056045
  H           0.39845078965311      0.95965962504671     -1.87995674973468
*




