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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  Ni         -6.55526592930974     -0.87437720476770     -0.91696688238876
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  C         -10.38395308110523     -1.78774019171538     -2.81238221067668
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  H         -12.43889647090794     -0.87087843988556     -0.26140511729609
  H         -10.97025135457906     -0.13898438321616     -0.84937368738435
  H         -12.34948897167656     -2.17758892973862     -2.10555648901421
  H         -11.13768676568628     -3.12286514674588     -1.27403765301328
  H         -10.51562555975342     -0.74104649056256     -3.11315665885812
  H         -10.65797745353342     -2.39905286133650     -3.68243759693387
  H         -11.25862643294422     -2.33882331795848      1.26095755943179
  H         -10.74425219952096     -0.66943309856155      1.49368867459356
  H          -8.77195349719025     -2.03983381560002      1.62417444056641
  H          -9.18946076453339     -2.95132609434950      0.17895816609975
  H          -8.33685390887908     -1.95818701599367     -3.50953250519150
  H          -8.72837429343735     -3.07842033723693     -2.22990990864782
*

