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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  H          -3.78923163413899      0.30347502818725     -4.81884720911623
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  H          -2.97012766603635      2.56112769792925     -5.41568742591571
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  Ni         -6.68870204491281     -0.54777372961844     -0.74349352256915
  C          -9.04996520408161      3.27987937145264     -2.26901346501364
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  O         -10.61813581291081      1.79719341257893     -0.69521204356039
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  C          -8.40116303887672     -0.64208311611704     -0.17093476962862
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  C         -10.34829690756337     -1.98561187076429      0.66248744192711
  H          -9.85456539534150      0.06202889298081      1.08087226032537
  H          -8.75414375006353     -1.07167409298439      1.89101931762672
  C         -10.50528731162026     -2.35751733936848     -1.90360092281047
  H          -8.52376638583730     -3.01465431459068     -1.32182073903345
  H          -8.61291961568127     -2.45349230535781     -2.98168627772075
  C         -11.12626673168271     -1.73447552521314     -0.63859436026254
  H          -9.86050297046287     -2.96944271002392      0.65162732582443
  H         -11.03662759336660     -1.99402760102851      1.51515051295979
  H         -10.77428065644069     -3.42074588198478     -1.97057227822148
  H         -10.94228998063142     -1.86654811376442     -2.78175370492013
  H         -12.14595546556153     -2.12297641174594     -0.53279321379083
  H         -11.22072481263546     -0.65050774663568     -0.77593132938029
*

