#
#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          -1.23095719790023      2.38806782798512     -0.29049775915333
  H          -2.13481014240353      2.12723181221760     -0.85620409708197
  H          -0.93575214058460      3.39820395448307     -0.63534917427786
  C          -0.07730843455426      1.45442990034819     -0.56339039232892
  C           0.88201784537186      1.50583951152748      0.42023313124987
  H           1.67207670032977      0.75806285030849      0.52661521270008
  C           0.97273321827965      2.70618494279266      1.38298681852551
  H           1.89959504031468      2.68169474527816      1.95913759443051
  H           0.76572637603987      3.67374749465630      0.91321066623829
  C          -0.15816156980558      1.95161651785537      1.87023985819185
  C          -1.47349188634508      2.32710909639183      1.22100443522219
  H          -2.24753440558171      1.58273225683383      1.44445464688871
  H          -1.81000828470129      3.28532472381131      1.65020822144255
  Au         -0.00799636090098      0.18562688364588     -2.16974429330704
  P           0.06083824663159     -1.25767943980232     -4.01723723759263
  C           0.83189741353102     -0.51678234735643     -5.48958659208623
  C           0.99784164611569     -2.78771448074128     -3.71350161753814
  C          -1.57914138239083     -1.81485689580961     -4.57489060187320
  H          -2.18856922987448     -0.94399724270029     -4.85728725437563
  H          -1.48346053065147     -2.48751492055308     -5.44049239521413
  H          -2.08590753624727     -2.34611382443113     -3.75607189048861
  H           0.27263150519412      0.38282628682316     -5.78523179406682
  H           0.83422795919406     -1.23350712598749     -6.32466563335002
  H           1.86688346843550     -0.22690495472538     -5.25683895419831
  H           2.03495623335231     -2.53833826605935     -3.44582784374823
  H           0.99757978445838     -3.42372130208723     -4.61158374548251
  H           0.54206892385197     -3.33836118325010     -2.87776784870478
  C          -0.08395964814977      1.05704573012906      3.02332636568702
  C          -1.02400738662228      0.02351021782554      3.21139688664173
  C           0.92755693999027      1.18667268795409      3.99622266347550
  C          -0.96410337550919     -0.83140620872253      4.29459381312849
  H          -1.81414348326173     -0.13618398250059      2.47348446381832
  C           0.99957837076274      0.34831906662548      5.09249435689089
  H           1.66931652460648      1.98400954877627      3.90892684459685
  C           0.05520575540042     -0.69788226840685      5.27744976503634
  H          -1.71351086242705     -1.61785534148855      4.38127170931940
  H           1.79325650917481      0.51040265952678      5.82157203000116
  N           0.12284935424570     -1.53383174220569      6.34650872971777
  C          -0.86294200936598     -2.58281123551043      6.51717436521498
  C           1.16857908706565     -1.37131660384999      7.33723505451150
  H          -0.62511048608250     -3.15611079080931      7.42039380419644
  H          -1.88192500283028     -2.17555764724697      6.63193965716817
  H          -0.86692080922001     -3.28262302245694      5.66483864660267
  H           1.05431194817869     -2.14235625408132      8.10763595082985
  H           2.17291893225899     -1.48059383460203      6.89464951346682
  H           1.11696486262591     -0.38696868041081      7.83281261967483
*

