#
#Opt
#
! opt 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
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.37869202044480     -2.74017808748974      1.96504976106262
  H          -0.29906904825336     -2.73796719746626      1.75102452081100
  H          -1.65105888518689     -3.78356353663335      2.18972774061524
  C          -2.12254870610524     -2.36487033558675      0.75457331556915
  C          -2.92002703871744     -2.11794085208011     -0.15222233341685
  H          -3.76480852593608     -2.07871596169161     -0.83027560661328
  C          -2.31457314765856      0.54871900120637      2.93206833407703
  H          -2.08967202915306      1.61311346836588      2.82065697306638
  H          -3.36815763935132      0.27345834941965      3.03763856790711
  C          -1.35346310766876     -0.38608317270522      2.96794469569327
  C          -1.71606411337234     -1.84052251806922      3.16632006079928
  H          -1.19179758132065     -2.25470326732311      4.04134279415848
  H          -2.79146903589900     -1.91813530708701      3.38066567245334
  Au         -1.16070562890925     -0.93021971675492     -0.76011378406200
  P           0.32617892083018      0.37135111884180     -1.97132978950441
  C           0.12791482341068      0.11079964220942     -3.75730548433895
  C           0.13461495970968      2.15636443590558     -1.71216072861975
  C           2.05970179231102     -0.01559978583551     -1.60219649368852
  H           2.25656239678662     -1.07398103507034     -1.82523707193781
  H           2.72027661400346      0.61692460961682     -2.21389295901758
  H           2.26039191369597      0.16753274806389     -0.53690021630808
  H           0.30340902137339     -0.94749092266463     -3.99821596217503
  H           0.84730754267949      0.73487453381133     -4.30843078347019
  H          -0.89407861888727      0.38053578719453     -4.05993247503392
  H          -0.89013212462340      2.45877897441501     -1.97102250810275
  H           0.84849971209492      2.70427528214043     -2.34521769885272
  H           0.32199749290035      2.40058399478353     -0.65737825089765
  C           0.08924035555271     -0.03318587424323      2.79873597331848
  C           1.10288952803222     -0.80311751121416      3.39038548802341
  C           0.47086106148930      1.08838930133108      2.04332865261619
  C           2.44590317080736     -0.45465739817558      3.24806209037171
  H           0.84739221346850     -1.68217695379172      3.98693626012786
  C           1.81132406984256      1.44197784430452      1.90663443286479
  H          -0.29558199224979      1.68900643684378      1.54663216270894
  C           2.80674419274373      0.67071860283314      2.50873640628162
  H           3.21537967584031     -1.06748832935418      3.72487703067389
  H           2.08165829103023      2.32275740570676      1.31773202716001
  H           3.85935349513453      0.94351422624311      2.39747818567969
*

