#
#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          -1.32361268649244      0.67783104324519     -0.41693133189542
  H          -1.50943390673405     -0.36813147325416     -0.11184222181003
  H          -2.18500716491118      0.95586084115839     -1.04439799738398
  C          -0.03675787562671      0.75435215110747     -1.21426797512001
  C           1.05407372591702      1.27152263250091     -0.61754476540268
  H           2.00517156252157      1.35826374922981     -1.15633704679968
  C           1.13466980080147      1.73744721763596      0.82806248895732
  H           2.05150304748372      1.34366137255076      1.28466429018150
  H           1.23575492566769      2.84058719668587      0.85563311514621
  C          -0.08772371118073      1.39575025546371      1.61597974549601
  C          -1.33461441178967      1.59319581594864      0.82485967399482
  H          -2.25291666368296      1.45107624780322      1.40420193163201
  H          -1.32323736499607      2.63955207998936      0.47256122420676
  Au          0.00588666133351      0.04224015777049     -3.15214792801811
  P           0.06574712814981     -0.77517085452732     -5.34906708786803
  C           1.03582077436583      0.24843286311818     -6.50273957607540
  C           0.79238618142433     -2.43963369207699     -5.49935500930138
  C          -1.57171759182890     -0.92298044191898     -6.13447439973182
  H          -2.04833686647802      0.06712574569240     -6.18236800861122
  H          -1.48108896718322     -1.33158349007718     -7.15241590174428
  H          -2.20936296301236     -1.58711883364033     -5.53279271295267
  H           0.61336994288779      1.26323012506725     -6.53956569586077
  H           1.02419862791163     -0.18648641264611     -7.51367366978315
  H           2.07525435792308      0.31591907098655     -6.14956990432730
  H           1.82412321230539     -2.42676263882739     -5.11870339463936
  H           0.79700584352844     -2.77056115288706     -6.54905887066186
  H           0.20815671004446     -3.15117369782449     -4.89761003453874
  C          -0.05663816235711      0.92711597916335      2.92016890610071
  C          -1.25907137538829      0.57629849593230      3.63890354429248
  C           1.18060942947096      0.76452887838949      3.64704871880290
  C          -1.23737490195310      0.11761313394492      4.91845618378201
  H          -2.22774192613275      0.66729407805982      3.14669254593518
  C           1.22171222325685      0.31103962783494      4.92759481944629
  H           2.12496975040902      1.02313469410697      3.16707659823550
  C           0.00912717022455     -0.03673665241083      5.62380922257940
  H          -2.17348425047019     -0.14653855871961      5.40949856396672
  H           2.18252370235143      0.21977147792818      5.43320898083909
  N           0.04052386233522     -0.48368545150076      6.86812382428487
  C           1.27704220901341     -0.73092572504220      7.62734734295324
  C          -1.15391684183269     -0.80378503752380      7.66638052008109
  H           1.99545230243060     -1.29503690279983      7.01699221323831
  H           1.73672012328850      0.23289315619882      7.90261170704433
  C           0.80185663007061     -1.50419429498491      8.85329034893730
  H          -1.90009615142329     -0.00199428444224      7.58119142736686
  H          -1.60416487103832     -1.73791023465763      7.29085455724651
  C          -0.60856439877924     -0.96470611853341      9.08143130919635
  H           0.76682031062164     -2.58156400880121      8.62700920572557
  H           1.47035319257300     -1.35981386066369      9.71259170593733
  H          -0.56593370285843      0.01660484569586      9.58007044479995
  H          -1.23801507527100     -1.62668909969789      9.69119976001136
*

