#
#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          -2.20990863700747      0.83935759476786     -0.32633523419346
  H          -2.88918521517850      0.24805913674797     -0.95835948939866
  H          -2.38859395960943      1.88945911589535     -0.63677336085853
  C          -0.78627715421019      0.54777034378359     -0.65231046431794
  C          -0.00744694866326      0.58397272490587      0.52711848580881
  H           0.99487394066336      0.15582114386353      0.58522600840958
  C          -0.24553954771140      1.83121922366357      1.44201406774132
  H           0.65210047778609      2.07059467902749      2.01645299859904
  H          -0.75228207686791      2.68589159915658      0.98719113689491
  C          -0.99417029296852      0.62901153753256      1.76848189615439
  C          -2.39873584186589      0.58343873124477      1.17594958221262
  H          -2.84026968261014     -0.41092172694812      1.33424448152921
  H          -3.05375825871163      1.32097955991844      1.66244312624993
  Au         -0.07722255977051      0.12272354177523     -2.50998065751513
  P           0.74521043303752     -0.34898448705514     -4.66082306348152
  C           1.02425366866642      1.14562909116682     -5.65838339258501
  C           2.33785179101773     -1.22629030339277     -4.65719930522344
  C          -0.36942574408195     -1.38587015310315     -5.65538608108621
  H          -1.34269666871850     -0.88537995854279     -5.76231933773287
  H           0.06189286341119     -1.56041763558658     -6.65259193119237
  H          -0.52250207161840     -2.35135810554906     -5.15170670248602
  H           0.07929896664453      1.69694868088847     -5.76896339332662
  H           1.40437704567594      0.87119820808670     -6.65386947780978
  H           1.75509375784453      1.79537093078888     -5.15565167921479
  H           3.09152437159565     -0.62306985194293     -4.13065392088273
  H           2.67396149755962     -1.40962804066333     -5.68883434924524
  H           2.22952216742901     -2.18800030191806     -4.13490300124336
  C          -0.66282190921152     -0.20201574110850      2.96798126208832
  C          -0.78666870681533     -1.59554819878476      2.91152518650613
  C          -0.25357415719133      0.39683137788522      4.16207735685796
  C          -0.50057299850521     -2.37872858330145      4.02664434369177
  H          -1.10334785510022     -2.07160623357848      1.97907418816003
  C           0.03146021046008     -0.39113303988272      5.27692528369400
  H          -0.16571852555069      1.48333927157800      4.22663589163416
  C          -0.08956578688995     -1.77985873377004      5.21542406085566
  H          -0.59633324295242     -3.46536475993155      3.96969587801619
  C           0.51671183488100      0.24932477772654      6.55115332131424
  H           0.13567208139186     -2.39169914267856      6.09214274333778
  F           1.84839317031455      0.14280215887921      6.68123662399906
  F          -0.02117141772833     -0.32451328510846      7.63507776536912
  F           0.22509483115961      1.55407190356379      6.60740513266949
*

