#
#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          -3.22812817640761      0.09084003870600     -0.97549211380971
  H          -2.75794319650390     -0.72114838046184     -0.39999737956222
  H          -4.24418473875700     -0.25227814205718     -1.22651452838662
  C          -2.51348324001322      0.26100471333958     -2.24791202052709
  C          -2.06524277043669      0.51127935538056     -3.36819012931427
  H          -1.91398741132531      0.77695799594594     -4.40799735718707
  C          -1.60524133090655      3.16918742713228     -0.35226396636057
  H          -0.66577128656160      3.67108200752399     -0.10734870021601
  H          -2.26003518293777      3.67766338238488     -1.06549217001912
  C          -1.97412064312897      2.00379802029768      0.19925103744064
  C          -3.31076489110675      1.39452901140938     -0.16150818837363
  H          -3.89981834106609      1.17880751930697      0.74308876989184
  H          -3.88687948193763      2.13193725939152     -0.73741921473126
  Au         -0.27336704967200     -0.22373670839842     -2.29511994636841
  P           1.82426550381888     -0.99249782101783     -1.68903046590303
  C           2.53553976973658     -2.10968124664957     -2.92990765185796
  C           3.04277535011139      0.33138594235864     -1.46525903035498
  C           1.77104709142004     -1.94769482651276     -0.14751422663302
  H           1.12587923355240     -2.82604333132818     -0.29277397249727
  H           2.78378473972878     -2.27853067589490      0.12579226928862
  H           1.35443792298346     -1.33413267380350      0.66208636944514
  H           1.87026916915964     -2.97271145411321     -3.07477162390018
  H           3.52157554886117     -2.46105746042114     -2.59057895125137
  H           2.64583642511332     -1.58048152350089     -3.88717711975693
  H           3.19208790523878      0.84388203242329     -2.42662208995605
  H           4.00001619047690     -0.08793535372256     -1.12229973708461
  H           2.67790096424574      1.06216646912180     -0.73190660511587
  C          -1.09421932106963      1.28280389054121      1.16969213123227
  C          -1.61279422555940      0.30543044305430      2.02880898809857
  C           0.27591182212193      1.57389777500378      1.26133557627939
  C          -0.79598038817322     -0.34231541175814      2.95397039562587
  H          -2.67116867027886      0.04517360773834      1.99472774991661
  C           1.08074437988217      0.93790063627348      2.20034725623232
  H           0.72455443773780      2.30893552379657      0.59187651292626
  C           0.55498831813137     -0.02821798215866      3.05702725523840
  H           1.19276523831947     -0.53306112704269      3.78682981453390
  C           2.55287607515109      1.25040834319434      2.29067929911526
  F           2.89927304956741      2.30236718543783      1.54145680469638
  F           3.30247969347564      0.21349818321647      1.88034470753313
  F           2.92447812339170      1.51611697791331      3.54757971040010
  C          -1.35541509320348     -1.40671462991770      3.86336793317929
  F          -1.16842045266542     -1.10139210080374      5.15363686209502
  F          -2.66617527269294     -1.59333562352557      3.68509685209680
  F          -0.75510076782165     -2.58761809780367      3.65598616390143
*

