#
#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          -1.11199438179004      2.03424326987027      0.55260310969922
  H          -2.06950115018310      1.90236547292077      0.02863627604861
  H          -0.73432856199771      3.01858657382162      0.20600351390039
  C          -0.09784082877102      1.03078003877078      0.11626244754022
  C           0.75464370786361      0.70631666254443      1.18916756420393
  H           1.40296604237421     -0.17190976025716      1.18108712358469
  C           1.26751130266205      1.89680278897917      2.06347833278126
  H           2.22069874566414      1.64801226420606      2.53507537852457
  H           1.21260824439543      2.88939640932497      1.60892585994937
  C           0.06083575114922      1.24628572261205      2.53557652307848
  C          -1.23108518522997      1.91507026767390      2.07762266005325
  H          -2.09125328792032      1.28155846669735      2.33713161441345
  H          -1.36625816081466      2.88393120161741      2.58113750638085
  Au         -0.00729047714175      0.20017040639482     -1.73919943241077
  P           0.10457829003834     -0.76100542958667     -3.88060154946356
  C           1.37199781225504     -0.00842897095822     -4.94569164257614
  C           0.49787324079719     -2.53628602050194     -3.85135992734591
  C          -1.44704697354554     -0.62910835488319     -4.81934474343352
  H          -1.71065306252035      0.43082035449803     -4.94748533920313
  H          -1.33723284120598     -1.09820637731883     -5.80872166826199
  H          -2.25688936609131     -1.12929508587336     -4.26868025309278
  H           1.15835763536253      1.06239280037340     -5.07552297529557
  H           1.38110048478585     -0.49946159208422     -5.93037987745646
  H           2.36070561745606     -0.11606157745573     -4.47656294458832
  H           1.46990405300087     -2.69033366616280     -3.36087796560496
  H           0.53996823829487     -2.93507611210486     -4.87606210847098
  H          -0.27341380370317     -3.07622813871521     -3.28319403936212
  C           0.06296754490303      0.35669544908148      3.73430038103234
  C          -0.76772812959148     -0.77380547587106      3.77916316896122
  C           0.86412727871970      0.63579393423412      4.84612623431479
  C          -0.79390414838198     -1.60205892059095      4.89227417534388
  H          -1.39724238484869     -1.01740858572486      2.91792040588853
  C           0.84388177222512     -0.18444643408173      5.97210534015097
  H           1.51070090732025      1.51748208539570      4.84401861828168
  C           0.01445793085525     -1.31046760437995      6.00044707303252
  H          -1.43319508212658     -2.48749697598437      4.92202309431731
  H           1.47159626413181      0.04995504804668      6.83710599655403
  O          -0.04638061049880     -2.14127462637620      7.05702993132581
  H           0.55623863210788     -1.83723704815171      7.75052758720484
*

