#
#Opt
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.28094398443345      1.22880651789159      0.54588840215525
  H          -2.17821620239569      1.02905236865464     -0.05511334820889
  H          -1.19831340230413      2.33006965813246      0.61591310483090
  C          -0.01074593085472      0.68775466682200     -0.09171482500802
  C           1.04512813316242      0.66730018814306      0.73972121350075
  H           2.03622101328643      0.29735074430639      0.45888040503258
  C           0.92176550270665      1.18368619477108      2.17231905222589
  H           1.83602280349025      1.04294209599264      2.75437024953952
  H           0.71955181436002      2.27800050859114      2.13886285061948
  C          -0.28853539311288      0.62705408763283      2.79932236027667
  C          -1.49768112756521      0.65669444870041      1.94679553414870
  H          -1.86948308880662     -0.38275436833900      1.88869682336734
  H          -2.28860188827661      1.20259795526077      2.49105235670557
  Au          0.04804522276736      0.08403025112935     -2.06060109320112
  P           0.10098182312812     -0.58559255348681     -4.30528135047029
  C           1.53368243301075      0.04723337129497     -5.23542428631032
  C           0.16025408010685     -2.39016488457768     -4.54718516468040
  C          -1.34643910346475     -0.04392519020647     -5.27001048815354
  H          -1.41599890845234      1.05347672775594     -5.24643195298143
  H          -1.26471371272216     -0.37960254259973     -6.31496581747152
  H          -2.26242463257675     -0.46119659753155     -4.82660779523268
  H           1.53608103260980      1.14665434574733     -5.20596508415786
  H           1.49555457006065     -0.28737506240322     -6.28322834388549
  H           2.46300891022559     -0.31681513548781     -4.77330263493046
  H           1.06322992311924     -2.79739972904237     -4.06922510775433
  H           0.17498723106354     -2.63835124231675     -5.61938900644398
  H          -0.72110043049686     -2.85370345233245     -4.08030714892424
  C          -0.31841075220204      0.08995431856855      4.12967860625803
  C          -1.53200773933649     -0.40097857112930      4.67453129559776
  C           0.85435180440480      0.05565976146028      4.91879885545822
  C          -1.55264780744925     -0.90378484411429      5.96375855789694
  H          -2.45289904793814     -0.38686310769932      4.09158026705298
  C           0.82204367189247     -0.44889387133122      6.21555138331260
  H           1.81085028642485      0.41558349805611      4.54063836376937
  C          -0.38826958045272     -0.93037137019928      6.73328371613791
  H          -2.48389004097777     -1.28492518943008      6.38754843480972
  O           1.96803483879337     -0.45199212019501      6.91506464047152
  H          -0.41526192575300     -1.33168205267693      7.75110214707573
  H           1.82721860495845     -0.83079782381227      7.79495982757096
*

