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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  C          -4.04769356645476      1.22672655575972     -4.15303829462749
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  C          -3.56123174484822      2.49348048449202     -4.45147139334348
  H          -3.90470868202307      0.40873868478349     -4.85513614845742
  C          -4.51071176101314      3.34803059974213     -2.40456870692116
  H          -5.59074320481799      1.92775784508826     -1.20012140544344
  C          -3.78723350777777      3.55322753327467     -3.57411129138675
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  H          -3.41584813283967      4.54503637948423     -3.81593371266011
  Ni         -6.74755651484995     -0.59010531383762     -0.76703775448126
  C          -8.58661615168402      3.63109780486603     -2.07425876616140
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  O          -8.18461315531430      1.60745296249085     -0.43535252397665
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  O          -9.99186091490088      3.21917698877469      0.16761560535270
  C          -8.44117962323731     -0.79131948752494     -0.18199866865128
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  C          -9.12718789251163     -2.32490004743127     -2.02359897345381
  H          -8.72310453119893     -0.15086109208023     -2.18816849342094
  C         -10.80454572465871     -1.22797107195467      0.56224359415492
  C         -10.64251350140704     -2.36824279716100     -1.78378026996012
  C         -11.05791439923876     -2.46961131071947     -0.30772931845835
  H         -12.13392546040202     -2.68261917035158     -0.27908672315975
  H         -10.56364267311494     -3.34189178618906      0.14948099035491
  H         -11.10022842532393     -1.47442868586614     -2.22843567647511
  H         -11.05111111907481     -3.23634104385926     -2.31884947802550
  H         -11.39067337542951     -1.31783836789381      1.48570013957471
  H         -11.15974168672398     -0.33146124783546      0.03840338472246
  H          -8.90398336112346     -2.43029019162910     -3.09213829447993
  H          -8.64824727610652     -3.17034209323486     -1.51138023827539
  H          -9.22043085670244     -0.16475873248962      1.64084116276821
  H          -8.93776367048338     -1.87297406480606      1.52121839175257
*

