#
#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          -1.26991662084329     -1.12395845313714      0.79383925944393
  H          -0.39259811348874     -1.75853909407979      1.00708873375639
  H          -1.92853821178702     -1.72185432175660      0.14538698242468
  C          -0.83018263678085      0.14831676347309      0.11800279227940
  C          -0.87223521899370      1.30498307461831      0.79771130731377
  H          -0.53389422652168      2.25400751739674      0.36803318053746
  C          -1.35711694549792      1.44937795513425      2.25721196764378
  H          -0.76800960959817      2.21315253355807      2.77386610629325
  H          -2.40901879869229      1.78524231882217      2.25044729377843
  C          -1.29940796487029      0.11849125488018      2.88168661084235
  C          -2.06203672174085     -0.88314805566606      2.12850223957870
  H          -2.21214474977931     -1.83491050352063      2.64643789131958
  H          -3.03743344361679     -0.45674507564443      1.85252036329156
  Au         -0.12833842437407      0.05374623998600     -1.82533133196763
  P           0.67591163752118     -0.04096616264886     -4.02206347014785
  C          -0.31149165128488      0.91476140176978     -5.21729105086245
  C           2.37081010983999      0.59824306230890     -4.21274141454772
  C           0.73971221117912     -1.72328554208460     -4.71703197002547
  H          -0.27052399345365     -2.15805304947298     -4.72413889755321
  H           1.13373787755422     -1.70365780292246     -5.74440898026260
  H           1.38741433571372     -2.35548934229284     -4.09218745454985
  H          -1.34455316258430      0.53770624492140     -5.22737112305683
  H           0.11609384581870      0.83055699652099     -6.22788741726110
  H          -0.32851777304586      1.97297448913423     -4.91813846553018
  H           2.40835325114281      1.64750184659213     -3.88530260697370
  H           2.69440151635463      0.53439423696630     -5.26271604474193
  H           3.05732314307073      0.01128670350237     -3.58516218131993
  C          -0.45059527717580     -0.20719635342004      3.98963084909739
  C          -0.42037758336758     -1.52633122766958      4.50940972875458
  C           0.38453847237784      0.77851427496647      4.56877636716309
  C           0.42264860624587     -1.83185256089073      5.56533603608375
  H          -1.05795462160057     -2.30610435032851      4.09527774007779
  C           1.22992281483672      0.45999882227527      5.62556266320206
  H           0.39592510035323      1.80537957301327      4.20455794516933
  C           1.24385704032021     -0.85207720349623      6.12250404543391
  H           0.44682158149198     -2.84546682775417      5.97013522294139
  H           1.90547724530347     -1.10309434763252      6.95752399196634
  O           2.00228509753975      1.43673120665648      6.12757253116034
  H           2.54319063243344      1.09943697792178      6.85639915924713
*

