#
#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
  Au         -0.06309229908590     -2.06450249490554      0.19102672542069
  C           1.27734198181592      0.14485281164747      1.01853811715697
  C           0.05163264593551     -0.17963186027038      1.13857130412339
  C           0.55211134240532      2.40720572759368      1.91121052807942
  C           1.81180173683037      1.95914675920808      2.17562320762133
  H           2.00067136884520      1.34062666555646      3.05654681196053
  C          -1.10272333543652      0.55364349280893      1.71796154487503
  H          -1.74735432965325     -0.10126696684778      2.32081104492628
  H          -1.71958286089097      0.92747570091308      0.88438740436920
  C          -0.59072188861122      1.74019816662493      2.59474103364519
  P          -0.31449964912198     -4.13912954571602     -0.81972579494388
  C           0.62945592515039     -4.30424314776221     -2.36343509460722
  C           0.22528377161373     -5.52003104668957      0.23075645947373
  H           2.28703981133408      0.02439353216305      0.63844226240097
  C          -2.03681014839492     -4.51302163502227     -1.26208246978353
  H          -2.41303353371625     -3.75162414953056     -1.96041191265766
  H          -2.09826416815668     -5.50386609212989     -1.73669620975125
  H          -2.66134703255112     -4.50338425799399     -0.35714868425938
  H           0.29232806411374     -3.54582929074761     -3.08470228004727
  H           0.48239732986254     -5.30649581055581     -2.79341545842751
  H           1.69891133037705     -4.14839952952785     -2.16116142724990
  H           1.28924024129351     -5.39955843310183      0.48075895957815
  H           0.08104378389938     -6.47572664444108     -0.29526747862809
  H          -0.35843962936681     -5.52507522059049      1.16255792055068
  H           2.68718313662997      2.37514403323838      1.66977805471877
  H          -1.43665235189709      2.41890066342628      2.76681136714700
  H          -0.26322194121918      1.34367668263445      3.56522120202083
  C           0.28115939725787      3.37837569861078      0.81795300907714
  C          -0.81438158603363      4.24830435780099      0.90221517226361
  C           1.11853965315471      3.43834432165797     -0.30624937282385
  C          -1.04552618520348      5.16505865293347     -0.11135306622867
  H          -1.49010209726148      4.25364899217230      1.75886056179996
  C           0.85881590728106      4.35425887495215     -1.31010860545769
  H           1.96629621651248      2.76299892824562     -0.43401097366127
  C          -0.21971352305661      5.23122897722472     -1.22814841105586
  F          -2.07278643014665      6.00648871405681     -0.03566306079534
  F          -0.45557777297436      6.10549034960458     -2.19600693925956
  F           1.63446074846529      4.41023924275871     -2.38905738157095
*

