#
#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
  C          -1.56377710978820     -1.11074212664150      0.14555125895954
  H          -1.39288929683971     -2.02184335891859     -0.44354245753258
  H          -2.65647461055009     -0.93681746848505      0.12678350806464
  C          -0.87479912275685      0.11188012103675     -0.43981375837017
  C          -0.85312063020697      1.16794793797683      0.39273341180020
  H          -0.37526860133367      2.12412634088149      0.15735223060191
  C          -1.51421493418270      1.07751265464958      1.77040812772999
  H          -1.38559048761708      1.98995914636807      2.35776188313868
  H          -2.60352526264577      0.91255620510306      1.63551414518036
  C          -1.00372915329772     -0.14619179108708      2.41989959872988
  C          -1.11749566118447     -1.37008523625815      1.58681133435042
  H          -0.14680019977126     -1.89206113984249      1.59990116171156
  H          -1.81549387402254     -2.05229482117342      2.10724966086268
  Au         -0.08439338957783      0.11456019131113     -2.34216575803728
  P           0.81356255052925      0.10206932014605     -4.50613030004135
  C           0.33756019037854      1.53786169099167     -5.52118015764473
  C           2.63477878484697      0.09483334403651     -4.55282558812768
  C           0.32692744429177     -1.34373514000232     -5.50211826532695
  H          -0.76819106839153     -1.37411563235995     -5.59900405119053
  H           0.77858147252725     -1.29328647524657     -6.50446371074653
  H           0.65920879972891     -2.26501957042219     -5.00159923003891
  H          -0.75740837112211      1.57582194680846     -5.61700576209292
  H           0.78764530637122      1.47014195582519     -6.52325664869762
  H           0.67804772284493      2.46307407331345     -5.03361504253446
  H           3.02089543764993      0.98938406956963     -4.04258678190804
  H           2.99619391982585      0.08674526172860     -5.59234534437012
  H           3.01387702640655     -0.79599823093954     -4.03092262475041
  C          -0.43231225488990     -0.17307591506740      3.72258070308254
  C           0.04037162491116     -1.39186052611562      4.28206835600969
  C          -0.33337012491383      1.00142127394259      4.51837079802272
  C           0.57144934619033     -1.42654956103895      5.55308072046761
  H          -0.01297260050454     -2.31929067860908      3.71034438950148
  C           0.20265451076649      0.95962241486480      5.78778942621562
  H          -0.68248364129306      1.95925660350996      4.13280558783037
  C           0.66905726556372     -0.25459633078249      6.33239285815945
  H           0.92929531833848     -2.37279433266946      5.96532923055178
  H           0.25897530687783      1.88198773188507      6.36832340279439
  C           1.25600647523502     -0.35408975401761      7.67741123327487
  C           1.47025244742373      0.66828779230319      8.51388723196581
  H           1.21940721886306      1.70356706565078      8.26510773247152
  H           1.91812973573625      0.49447989397821      9.49603797934617
  H           1.53823186958254     -1.36561094620355      7.98758838058617
*

