#
#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          -0.32967226495927      2.55103593675057     -0.21154272595308
  H          -1.29252724878196      2.64802289052033     -0.73161452492489
  H           0.30983802662541      3.35567382394984     -0.62875782519087
  C           0.35898855283380      1.26058247646205     -0.52713374162636
  C           1.17203763204451      0.86023619670406      0.53848676640167
  H           1.57533524652075     -0.15056271821276      0.62609621537900
  C           1.93768427586466      1.94650635105670      1.34998395705253
  H           2.79978101974422      1.51161383177643      1.85970189502622
  H           2.13112958888827      2.88385900992535      0.82093902611434
  C           0.61323800598109      1.67773404194334      1.86185564049291
  C          -0.46473945515739      2.60546132655473      1.31484445866943
  H          -1.45906933537304      2.24555583887734      1.61329578379545
  H          -0.34061239558038      3.61678105329911      1.73125729791564
  Au          0.06914688427614      0.18382461409267     -2.23341226548118
  P          -0.25832936735636     -1.04954606676948     -4.20529419418098
  C           0.83970068513542     -0.53862390031930     -5.56252770489360
  C           0.03205996682856     -2.83363774659948     -4.00338005318645
  C          -1.94104055143053     -0.91472618930383     -4.88194388334644
  H          -2.16519556309357      0.13814804127893     -5.10676652617305
  H          -2.02997305849211     -1.51032925792429     -5.80289142215189
  H          -2.66795641631957     -1.27896762330905     -4.14153339211246
  H           0.66860756610890      0.52236472916613     -5.79539030343826
  H           0.64330215784053     -1.14420216103766     -6.46009034413684
  H           1.88857651348667     -0.66817726864172     -5.25876253143099
  H           1.06244456958463     -3.00322337399405     -3.65866980184797
  H          -0.12198006208008     -3.35666678624683     -4.95925153315117
  H          -0.66177704509540     -3.23777802116061     -3.25198414890763
  C           0.38493806170774      0.89589715007410      3.10411416483128
  C          -0.79492881904218      0.15648724057342      3.28063916746955
  C           1.31975107283954      0.87302796317190      4.14768454935177
  C          -1.03514806192414     -0.57381923396187      4.43363853548964
  H          -1.54518325800843      0.13609354538058      2.48418318615602
  C           1.09689139517596      0.15293196502072      5.31369672009741
  H           2.24526636848621      1.44904231429992      4.06196046641012
  C          -0.08994166818267     -0.60021929630466      5.49193443616703
  H          -1.96585777224385     -1.13622822414282      4.51082416802873
  H           1.85345972674522      0.18530756517867      6.09780651069349
  N          -0.31610642065015     -1.31947879674962      6.63241549344011
  C          -1.56084608834537     -2.03695324517035      6.80535855281414
  C           0.66794379268766     -1.32588178419096      7.69347613727590
  H          -1.55653078655809     -2.53522842425417      7.78176458247906
  H          -2.43632965659058     -1.36482140022321      6.77488576381404
  H          -1.70305090187042     -2.81365563706278      6.03396260554425
  H           0.32890464240081     -1.99151564589233      8.49585698935069
  H           1.64615969054517     -1.69702404409663      7.34294845293575
  H           0.82076702478366     -0.32207241048843      8.12826088893795
*

