#
#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         -0.02522871593134     -2.41012030334343      0.14131525063270
  C           1.15734728062934     -0.39486937325334      1.41764089950865
  C          -0.08109261906127     -0.61400971610569      1.26258378765014
  C           0.32575400674231      1.91835510107116      2.32163597981636
  C           1.47252139105562      1.39383740327704      2.84127732829293
  H           1.42192148497055      0.70131504814855      3.68509010452458
  C          -1.30612743819988      0.13400448230551      1.64057603602432
  H          -2.07898618068885     -0.53494698363666      2.04492017286737
  H          -1.72450716978953      0.58381562498596      0.72527919212019
  C          -0.95279122890234      1.23270797692817      2.68859962218103
  P          -0.13110791298046     -4.36961075079900     -1.09720095678533
  C           0.64783568584038     -4.23136514003009     -2.73305873891577
  C           0.67956214248023     -5.77921105744652     -0.28689067175674
  H           2.22550162830581     -0.52871315878816      1.28662815996229
  C          -1.83733993223168     -4.90674547238894     -1.41615686678260
  H          -2.37310388677131     -4.12333898657081     -1.97137076049266
  H          -1.83822792755202     -5.83639250903557     -2.00490644930214
  H          -2.35485437407495     -5.07949006856345     -0.46152117607834
  H           0.15658857917101     -3.43364501740232     -3.30853610766973
  H           0.55704431431144     -5.18371507772738     -3.27690089350015
  H           1.71164008094250     -3.97945560713671     -2.61519973809096
  H           1.74175794593963     -5.54902087539284     -0.12030482467746
  H           0.59587461535139     -6.67856859203106     -0.91545316218583
  H           0.20258680654394     -5.96818212902749      0.68564980822179
  H           2.46393088283377      1.77454383846303      2.58557383964872
  H          -1.80408564282253      1.92270729986580      2.75703016912076
  H          -0.83777897670207      0.74834834844346      3.66776914594455
  C           0.31597487448192      2.97489830142346      1.28683386685290
  C          -0.89280402171513      3.49112359620909      0.78645204744942
  C           1.49703212837295      3.50355400228734      0.74084747441373
  C          -0.90398885454478      4.46945194800310     -0.18457148114643
  H          -1.86433915924120      3.13020243941252      1.12853764227617
  C           1.47763241608920      4.49598411296895     -0.22801152917828
  H           2.47053076392740      3.14391200645987      1.07939562036785
  C           0.27119631272731      5.03970487489656     -0.72660015766746
  H           2.42782834324135      4.88007071533599     -0.60073566992061
  N           0.24844556750491      6.01382746288934     -1.69085163104676
  C           1.44782504274229      6.30879365822698     -2.44399060001198
  C          -0.79391170075680      7.02572521995875     -1.75450830906477
  H           1.16646414210854      6.83233282154345     -3.36875460031166
  H           2.15758530404552      6.95287777234531     -1.89057650195674
  H           1.96830717647573      5.38474579034343     -2.73398698120545
  H          -0.32844396566994      8.02089896181423     -1.83561279801390
  H          -1.45878535541265      6.88724422819151     -2.62392212306531
  H          -1.40408332837281      7.02654510609550     -0.84516186558875
  F          -2.10401519541351      4.86343697678530     -0.65634987346066
*

