#
#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          -1.10157646223437     -0.29048505353094      3.49294023106200
  H          -0.55817857754770     -1.06997758597718      2.93730175020583
  H          -1.25968395762377     -0.68881550911430      4.50775660977925
  C          -2.43409419003405     -0.11974822082788      2.90013384279177
  C          -3.60237984404766      0.09166021885759      2.57099931225460
  H          -4.66959366343078      0.27723427569491      2.53345097564346
  C          -0.73182590790545      2.83911990419836      1.96565582994200
  H          -0.60844618656170      3.38981893950977      1.03047687838162
  H          -1.43809546736173      3.26034199535809      2.68628437911292
  C          -0.06209256633034      1.71368729273679      2.25523144914317
  C          -0.30237104266800      1.02395083861184      3.58028366421571
  H           0.64952413441767      0.79965490401788      4.08532564803490
  H          -0.84571283686203      1.71612167754069      4.23791806228682
  Au         -2.62207141724611     -0.22863180095317      0.61118244122392
  P          -2.14918503413088     -0.56496944213366     -1.63086618935279
  C          -3.48410069311244     -1.44668239932310     -2.48782261565660
  C          -1.90888721979656      0.97744552033363     -2.55366144861691
  C          -0.65969240588680     -1.57225381707544     -1.87500988125766
  H          -0.81353527553885     -2.56108469144527     -1.41944235875945
  H          -0.45587163676046     -1.69183424478998     -2.94907850016705
  H           0.20053607040259     -1.09307771590285     -1.39110825899595
  H          -3.64796388582861     -2.42356184486862     -2.01096278959440
  H          -3.21120049058392     -1.59698231901824     -3.54321853938814
  H          -4.41308253798730     -0.86151642437776     -2.43202691344580
  H          -2.83710569388961      1.56576622833294     -2.51794805504964
  H          -1.65896471182205      0.75443231218308     -3.60126944072490
  H          -1.10075143947847      1.56614030354398     -2.10010852487377
  C           0.90129503658411      1.09911230642066      1.29208420805482
  C           1.70009068163415      0.01338415148066      1.66572601308899
  C           1.03484829303184      1.57901956340097     -0.01855556394782
  C           2.58898012077878     -0.58657109044502      0.77659562958052
  H           1.64235723104225     -0.39488065673366      2.67400844206547
  C           1.91509748377080      1.00259618234119     -0.92474209467768
  H           0.44144682748270      2.42851649874803     -0.35559393588677
  C           2.68945986607997     -0.08709597619098     -0.51897020276312
  N           3.59229222065779     -0.73865368775629     -1.48528338355380
  O           4.77239410973595     -0.72540846369885     -1.23521127778535
  O           3.07912745104127     -1.24229742920277     -2.45622061052340
  C           3.40887713215418     -1.77139749140112      1.25364386709791
  F           2.86053069456425     -2.33013177502722      2.33402526147754
  F           4.65216254662149     -1.41892352554013      1.57840340221497
  F           3.48717459671055     -2.72095513857592      0.31421945531458
  C           1.99432056807459      1.56696956619203     -2.33089367800260
  F           1.51619730874137      2.81072538345488     -2.37878695295440
  F           1.28657193403638      0.84211176148227     -3.20258974561396
  F           3.25568867710697      1.60538188947016     -2.77136847138081
*

