#
#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          -2.72434516426941     -1.08567425462754      0.40694799285902
  H          -1.85016216622791     -1.69608465201042      0.67588588762761
  H          -3.45731856280741     -1.77739052651888     -0.03650478266689
  C          -2.33338868213899     -0.12924867526990     -0.63896945169748
  C          -2.18868401816292      0.73319568927918     -1.50670329310389
  H          -2.31210235153943      1.49896123848015     -2.26354691350323
  C          -3.17050983742442      1.94575184563007      2.41294056108367
  H          -2.64360165755750      2.80588272210478      2.83635537041992
  H          -4.23886015752062      2.06760699271984      2.21034274669051
  C          -2.55024281314915      0.78189928281176      2.17306467327705
  C          -3.33108219205764     -0.40447633318738      1.64781115868382
  H          -3.42046459638710     -1.17952436937572      2.42693762315736
  H          -4.35471462013234     -0.07638355809371      1.41712623397922
  Au         -0.09824343378921      0.07899764873552     -1.14845936092116
  P           2.18501362638347     -0.25788473224657     -1.35595830371217
  C           2.61419265468166     -0.76617782696195     -3.04533371434315
  C           3.17780493504392      1.22170057613636     -1.01536356771584
  C           2.84627539023949     -1.54966558733388     -0.26602807368651
  H           2.24645128547823     -2.46622651952827     -0.35377186383901
  H           3.88746529893824     -1.76551645325777     -0.54972575834486
  H           2.82756577773710     -1.19942048724673      0.77558935058013
  H           2.10924814436071     -1.71332429482340     -3.28390772551150
  H           3.70286958193996     -0.90094108319107     -3.13050925303053
  H           2.28491776454555      0.00192914063471     -3.75969364337038
  H           2.86963483107916      2.04063140212911     -1.68070796976973
  H           4.24338018947407      0.99986945776361     -1.17673070068943
  H           3.02252609268382      1.53123520690765      0.02743324550221
  C          -1.08377816885642      0.61804785063787      2.38796802326994
  C          -0.53509528301969     -0.60232079371605      2.81484597665764
  C          -0.19715843476790      1.67693560917156      2.14084608310857
  C           0.83510511314435     -0.76164737446440      2.98990917109398
  H          -1.19045167195983     -1.45137035376393      3.02729485422561
  C           1.17596355065794      1.53459062259677      2.31974431018707
  H          -0.58540063406281      2.63225909144361      1.77759755330349
  C           1.70013320156812      0.30863232241938      2.74066967407019
  H           1.25028662156850     -1.71456682229031      3.32656941073571
  H           1.84791909289509      2.37424912916292      2.11825130023271
  O           3.02612867237286      0.09684807432982      2.89137131717482
  H           3.51454522103848      0.90994318481324      2.69902412798547
*

