#
#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          -0.87538629322603     -1.23108841526441      2.80248019706563
  H          -0.18117747467562     -1.70854848405688      2.09475465973583
  H          -1.31929724714939     -2.04396767299163      3.39835468412659
  C          -1.97204691599886     -0.59770128323309      2.05602918147404
  C          -2.96787905250617     -0.02613479062919      1.60797917094717
  H          -3.93915843921008      0.42721380706400      1.44714752685008
  C           0.00692982715645      2.20285075404689      3.41587044975585
  H           0.41456286102784      3.11560096191513      2.97232337639203
  H          -0.73784603548952      2.32744357428253      4.20761091406863
  C           0.41140229840262      0.98174070640885      3.03654810872946
  C          -0.14272801021314     -0.24495804133464      3.72800187254400
  H           0.66662207004970     -0.80528460134080      4.22282162658918
  H          -0.83010089012303      0.07752200307556      4.52294504859575
  Au         -1.64837435745422     -0.13510453861693     -0.16596549984950
  P          -0.74569771725839     -0.07964088257781     -2.29820833971673
  C          -1.88302173377282     -0.74517473878419     -3.54605504125680
  C          -0.30918928980971      1.58727963230016     -2.86298760515459
  C           0.76900254603531     -1.07105675620587     -2.41543100419186
  H           0.54206222192151     -2.12121723882706     -2.18269880201122
  H           1.18826096914429     -1.00062420221351     -3.43027197540613
  H           1.50235223307332     -0.69603139855688     -1.68838265284983
  H          -2.13553931330881     -1.78599521871589     -3.29799826008833
  H          -1.40848513837934     -0.71072595162178     -4.53824851192294
  H          -2.80642896766500     -0.14868452992580     -3.56218495077663
  H          -1.20893763405571      2.21881165920355     -2.87761274271183
  H           0.12107250385261      1.53781493439742     -3.87448885250318
  H           0.42520690705656      2.02790336024844     -2.17462187083257
  C           1.40185404978216      0.79240043340167      1.93529943716793
  C           2.25786150425533     -0.31967584815517      1.90067806056991
  C           1.51624523532351      1.72620473264804      0.89331339044680
  C           3.19512497819629     -0.48335632848495      0.88345235126003
  H           2.20798974346060     -1.07375398142003      2.69022552566128
  C           2.46160615653472      1.56783000856127     -0.11583657082540
  H           0.84811967268466      2.59117399014636      0.86286390423199
  C           3.31918233926229      0.45981846397057     -0.14569635885199
  H           3.83857079172086     -1.36793620020164      0.90202928038062
  H           2.53079743205280      2.31808721688361     -0.90906103677085
  C           4.28732177919820      0.30962432964095     -1.27121139438369
  C           5.62363168373894     -0.36624310493423     -1.09071515154182
  C           4.55862987590162     -1.04091878772380     -1.89361098607433
  H           4.27421371968625      1.15465386253046     -1.96591801548605
  H           5.85645794209673     -0.76858811361684     -0.10013884725865
  H           6.47950749842540      0.06602672513290     -1.61606359641829
  H           4.66951970706888     -1.08443318152654     -2.98055949847655
  H           4.05328385318635     -1.90581198489884     -1.45227979123304
*

