#
#Opt
#
! optts 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
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -2.01878433675346     -1.27532204068475      0.53939626941287
  H          -1.77610237255534     -2.19008486075698     -0.01714821104130
  H          -3.08352567295493     -1.06395444807362      0.32346012193517
  C          -1.20798811426208     -0.07826343832240      0.08657697067282
  C          -1.21270012849140      0.94994855214469      0.97413007054175
  H          -0.55272346840834      1.81995519860943      0.90841780450867
  C          -2.18236716009664      0.93900476744943      2.17315419980111
  H          -2.12983159147130      1.87235672277821      2.73720691576585
  H          -3.21023608859021      0.69340171002269      1.87500482636995
  C          -1.41516789049981     -0.18571431602909      2.68084434957979
  C          -1.76919634290311     -1.49154881143010      2.03821899174093
  H          -0.98900613237310     -2.24599235520493      2.18996380621646
  H          -2.66982753510873     -1.85766397175795      2.56455826667401
  Au         -0.21006648167137     -0.02358327921441     -1.70948873673878
  P           0.91492471895524      0.04444032173027     -3.76385355650932
  C           0.04250825097241      1.00837927943954     -5.03848202478704
  C           2.57417455882396      0.78750889810985     -3.66994254204609
  C           1.17787817099686     -1.59071507818826     -4.51955817344585
  H           0.20761784541923     -2.08416927312494     -4.67643377867654
  H           1.69487758924790     -1.49123465874371     -5.48600372928412
  H           1.78386183032636     -2.21541165489774     -3.84721444717693
  H          -0.95145108765772      0.57148715873810     -5.21396064652642
  H           0.61167557628407      1.00729803504486     -5.98040157400372
  H          -0.08660333504678      2.04465940288925     -4.69355501232861
  H           2.49843134224673      1.81345095033999     -3.28115681252270
  H           3.04430216460620      0.80958634593322     -4.66471897709032
  H           3.20221219155999      0.19853353157603     -2.98571260412652
  C          -0.42043653252120     -0.05804118946389      3.71928511415716
  C           0.56561957361563     -1.05381670659734      3.92583052757157
  C          -0.40890565627604      1.06671905069270      4.57776483808544
  C           1.50834597952733     -0.93392318970792      4.92571800505616
  H           0.60902907646600     -1.92879146102849      3.27549915830049
  C           0.52530981446088      1.19244155489743      5.58705280783479
  H          -1.16235630509825      1.84845868747334      4.46914214765135
  C           1.49714660619494      0.19265387058181      5.76746699583790
  H           2.27385672128690     -1.69785853446531      5.07575864333604
  H           0.51199497624476      2.06269912258122      6.24894827277314
  O           2.42610972276062      0.26309996488753      6.71768010070090
  H           2.32775725274377      1.08088699177223      7.22957115177991
*

