#
#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          -2.30925041474072     -0.78620759606660     -0.65887317140871
  H          -2.29793511338613     -1.79689079126360     -1.09383927015885
  H          -3.14936727743636     -0.27750247613450     -1.17599048640490
  C          -1.08630237010411     -0.02807123565123     -1.03309414932439
  C          -0.67795057686277      0.78394153390544      0.05923455464035
  H           0.32107248310995      1.21811656409382      0.12795576576782
  C          -1.82105673887776      1.65704143154919      0.67374411734188
  H          -1.42255950501639      2.57633407519533      1.10897144909253
  H          -2.73551941126152      1.77165210349705      0.08703877989893
  C          -1.52564674147501      0.38198505338619      1.31619510971665
  C          -2.41330005241204     -0.77749717141882      0.87276407526293
  H          -2.02545198515758     -1.72162879849931      1.28201844754112
  H          -3.44263562422438     -0.65066091724085      1.23802648131684
  Au         -0.12857264325111     -0.17253629812750     -2.81768470354936
  P           0.98075596227420     -0.35869219324026     -4.88257223139826
  C           0.16554219375150      0.57222279924138     -6.21450880214752
  C           2.69355703225598      0.24846412031977     -4.84564395524643
  C           1.08945005742016     -2.06948985624561     -5.48825254312695
  H           0.07871501359808     -2.48753820983299     -5.60146773394466
  H           1.60582741776545     -2.09619492899543     -6.45954725534722
  H           1.64587329422416     -2.68297557610403     -4.76491336086072
  H          -0.86292655304304      0.20583905919786     -6.34530878982872
  H           0.71850018399400      0.44930308459139     -7.15782776380062
  H           0.12947249145319      1.63912386035284     -5.95086388236776
  H           2.70347384587290      1.30888308732936     -4.55495710743334
  H           3.15842491536957      0.13865804845629     -5.83696810498707
  H           3.27250344530194     -0.32509971129345     -4.10735857972558
  C          -0.85343788508040      0.31360942489527      2.65020793750615
  C          -1.21299398914406      1.18304118869917      3.67811428835783
  C           0.12244440589504     -0.65637165377395      2.88763120797010
  C          -0.59987771137530      1.10089047398804      4.93449282740413
  H          -1.98421172395569      1.93864246586811      3.51722238148405
  C           0.73588364633382     -0.76569705347997      4.13819806991854
  H           0.42401934315018     -1.33938239646038      2.09051539960596
  C           0.37081213496490      0.12109456633394      5.15743811211395
  N           1.01576775688747      0.01914601702845      6.47424373230644
  O           1.23592627068516      1.05054383889684      7.06311646138683
  O           1.28066650812777     -1.08944173415238      6.87428977891511
  C          -1.03211463109605      2.02176844038506      5.95565895984963
  N          -1.44742180067332      2.78398111990207      6.71796435823460
  C           1.75093832960564     -1.77547923115228      4.30626431423649
  N           2.56234163653267     -2.59682022797973      4.34793492119218
*

