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

%pal
nprocs 10
end

%maxcore 3500

*xyz 0 1
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  H          -0.20639122818342     -0.24692033329014     -1.44330776274379
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  H          -3.85272081873182     -0.26554810818039     -5.26363934601667
  C          -4.20893947167060      2.99873919652909     -3.21151911441590
  H          -5.31286904240065      1.81299486770522     -1.79792130494462
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  H          -2.86110733570056      1.83538224886282     -6.10320171294227
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  H          -3.09770011065429      3.93274698872619     -4.79923862456371
  Ni         -6.39321899311780     -0.72888315235123     -0.85413041744031
  C          -8.60128958459778      3.47227863692530     -2.76324690414264
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  F          -7.38147381414511      3.92845148768774     -2.41471233869542
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  O          -8.01214035087022      1.01832162162545     -2.04037528321897
  O         -10.44553038104645      1.62629054519575     -2.10321859631442
  O          -8.95301754533691      2.53539414778514     -0.28376035127453
  C          -8.15144655160424     -1.01137380398789     -1.20117746841092
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  H          -8.23510374411932      0.24080822004206      0.49860126559357
  C          -9.34007600159410     -3.06227244277382     -2.00923578900375
  C          -8.21398751519631     -3.28566378389302      0.88418683814501
  C         -10.20137035585833     -3.35282050076595     -0.76819341589448
  C          -9.45349342454777     -4.03133670549563      0.38017430068791
  H          -8.59511167795894     -1.42669941934467     -3.21802570825673
  H          -9.99150485999003     -1.00578552323251     -2.21104003857770
  H          -9.85491583791452     -3.39426090255519     -2.91729505582201
  H          -8.39579074733171     -3.62126562013289     -1.97521714308309
  H         -10.64767728439660     -2.41461178911771     -0.41290992852116
  H         -11.04657656552789     -3.99228080204147     -1.04968238933949
  H          -9.15347923366951     -5.04150122969047      0.06744203040367
  H         -10.14965663177624     -4.16406466812852      1.21989811147537
  H          -7.40847693350662     -3.33456870510745      0.13740191778747
  H          -7.83685716729843     -3.81512997902207      1.76724904220962
  H          -7.86045386498779     -1.54704361321557      2.12760187789665
  H          -9.50930832258570     -1.67287638697279      1.54601726122975
*

