#
#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          -1.00955657397580     -1.02627949406379      0.51330348842215
  H          -0.10014906990530     -1.59881196452884      0.76810954795792
  H          -1.62850040808355     -1.70427455182385     -0.09373082231353
  C          -0.64173329851799      0.21551916099721     -0.26482615259436
  C          -0.68647917986830      1.40196936494805      0.36574305670751
  H          -0.44097220475954      2.33854882616401     -0.14694709104056
  C          -1.00772159711694      1.59709452430791      1.84584979220568
  H          -0.28878195750268      2.29039401924226      2.29773369534077
  H          -2.00209818839148      2.07995891918488      1.94083638331283
  C          -1.11814755143430      0.31633345170127      2.57800106471084
  C          -1.82198570467480     -0.72242800593149      1.80260855293388
  H          -2.02759423778291     -1.64054595543027      2.36033988596739
  H          -2.78270907935451     -0.28616653776352      1.47982897807639
  Au         -0.05485177109096      0.03683816835297     -2.23808883143986
  P           0.61917944368920     -0.15789475740563     -4.47326066988975
  C          -0.35738364927111      0.84944584456198     -5.63499976966005
  C           2.34535808617830      0.34179492760943     -4.77256983934594
  C           0.51347871942805     -1.85190511297361     -5.13466017140295
  H          -0.52521518255271     -2.20826168199684     -5.07326910877964
  H           0.84532226191107     -1.88111030248409     -6.18357951983947
  H           1.14786791111737     -2.52072426519345     -4.53469498551617
  H          -1.41330502880135      0.54517496191021     -5.58916213177223
  H           0.01218304297817      0.72364599858388     -6.66404402929614
  H          -0.28729987592740      1.91000474311371     -5.35220961590009
  H           2.47993153430820      1.39475619829695     -4.48472704247077
  H           2.60684241252267      0.21988180904154     -5.83469506687280
  H           3.01788092678973     -0.27631036575169     -4.15988357595190
  C          -0.56010460910905      0.09843817157306      3.86433467405348
  C          -0.65077542436241     -1.17142556553341      4.50114902089145
  C           0.11155735862943      1.14051434255574      4.56807504016834
  C          -0.09764162504719     -1.37988236267974      5.74628049695599
  H          -1.15476155697317     -2.00281033955865      4.00905621986014
  C           0.65222400288036      0.92721032487883      5.81567862080577
  H           0.20051542928145      2.13234579117977      4.12518139291978
  C           0.56439884724414     -0.34041209984402      6.43122905126544
  H          -0.17273458320809     -2.36387588170266      6.21462298709612
  H           1.15279551693491      1.75291861408112      6.32391334711944
  C           1.13294714164793     -0.62439334723034      7.75654996823416
  C           1.80677730763471      0.24327088104609      8.52122197638322
  H           0.97648387283929     -1.64513309029454      8.12031479628148
  H           2.19257077103910     -0.06707769433994      9.49605411215319
  H           2.00377651065746      1.27643003319945      8.22069210426283
*

