#
#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          -2.64697392195891     -1.04216447335891      1.18546620056793
  H          -1.77000997178965     -1.70595457992778      1.22616363350329
  H          -3.53485583653040     -1.69356046012992      1.16605769190397
  C          -2.63848439748472     -0.29633537202336     -0.08136266642035
  C          -2.82698679946162      0.38929185066818     -1.08797694588658
  H          -3.23213297076961      0.97082132777107     -1.90786054224859
  C          -1.77504702351543      2.17834479174535      2.46164525149760
  H          -0.96733767850460      2.90930642399631      2.55853727439930
  H          -2.79010777360617      2.57171495495171      2.35239438067913
  C          -1.55042149792808      0.85749139276212      2.50452722247172
  C          -2.70337690450513     -0.11617995220124      2.41210643673934
  H          -2.73803322129583     -0.75954202801712      3.30518053334904
  H          -3.64703039382036      0.44756916744425      2.39508059743060
  Au         -0.64834408793894      0.01382208255245     -1.18267096509399
  P           1.55050515092139     -0.13276055623791     -1.90159304276564
  C           1.63925763026359     -0.50257571194921     -3.67701369096999
  C           2.51965869593214      1.37993038852077     -1.66121562505023
  C           2.47120906836605     -1.45785334459723     -1.07085610803109
  H           1.97174018641128     -2.42173569345375     -1.24331215692064
  H           3.49761519824823     -1.50032393130165     -1.46500052476324
  H           2.50327562742081     -1.26352279105267      0.01060385109672
  H           1.12424787576750     -1.45115114872160     -3.88563184161249
  H           2.69136933876237     -0.58049757290785     -3.98955384732607
  H           1.14941927640027      0.30122088836398     -4.24521133600451
  H           2.00330944957201      2.23216114788462     -2.12520174461677
  H           3.51052095469378      1.25825973572264     -2.12474901880145
  H           2.64786002341776      1.56853915525456     -0.58531973414395
  C          -0.16771993470060      0.30272583150139      2.62639707541999
  C           0.06985003062796     -0.91454365922832      3.28553899927155
  C           0.92078641870075      0.99563620617547      2.08015484389075
  C           1.36859407449855     -1.40506007977202      3.40611512667745
  H          -0.75677038805296     -1.47643607485305      3.72515940122648
  C           2.22142371796302      0.50383963575058      2.21376220818867
  H           0.77302050840201      1.93243569047229      1.53762076277017
  C           2.45065939591714     -0.70683151747517      2.87526856901820
  H           1.54376687542785     -2.35029267067972      3.92645067639419
  H           3.46943870582649     -1.09516084909404      2.96817523062556
  O           3.22145682499636      1.22979516452369      1.66404199282987
  H           4.06857352332569      0.78076997092106      1.79610106070402
*

