#
#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          -1.17695163285929      2.15833297298612     -0.14011197144193
  H          -2.13585834758014      1.92175051213907     -0.62329464122773
  H          -0.85217109917281      3.10946225795573     -0.61088975669649
  C          -0.12470084224816      1.15725862778327     -0.47855422318793
  C           0.75643539384379      0.99725505990277      0.61029996850762
  H           1.44600547972585      0.15515288582018      0.69236259553345
  C           1.23461565505496      2.31215159874645      1.30971443322398
  H           2.20810251373960      2.16726353140289      1.78331269424067
  H           1.12498418656218      3.23624777276267      0.73657155059439
  C           0.07028349975455      1.67164199449724      1.89106560145331
  C          -1.26230878387637      2.21895030542820      1.39063272459282
  H          -2.08402264222264      1.58012631870122      1.74474049027666
  H          -1.43702211081191      3.23377863065576      1.77777405712211
  Au         -0.01617136262669      0.13570695208297     -2.23443407396045
  P           0.11978681216783     -1.02861760560119     -4.27144923291492
  C           1.12767101250015     -0.16553462144121     -5.51525993332614
  C           0.86014549123495     -2.68220068597398     -4.11671047294040
  C          -1.49372491602769     -1.29688972365766     -5.06582668291269
  H          -1.98175010660242     -0.32806994985837     -5.24589463452638
  H          -1.36628226035238     -1.82389039105387     -6.02338239223259
  H          -2.13530846333335     -1.89679573931024     -4.40417079406587
  H           0.69766263214465      0.82667233447988     -5.71501331921070
  H           1.15654868249318     -0.74481566061043     -6.45040100424501
  H           2.15147085210703     -0.03602239360422     -5.13536232673798
  H           1.87165083066235     -2.59625461522954     -3.69392774393178
  H           0.91737596423851     -3.16901320480628     -5.10188241556835
  H           0.24777334910081     -3.29849711966549     -3.44258808710678
  C           0.13963602756263      0.94516401747380      3.19470952348364
  C          -0.63484728714407     -0.20423478478292      3.40499495077658
  C           0.94868080732309      1.40129869737524      4.23889459544343
  C          -0.59637432378998     -0.87858058528297      4.61971078978231
  H          -1.27039575755852     -0.58358045657241      2.59916626531689
  C           0.98268154720766      0.72575975561826      5.45797240265338
  H           1.55357371764808      2.30239278518732      4.10651348994519
  C           0.21498306058016     -0.42519333536518      5.67288538238838
  H          -1.20864584592420     -1.77643248534956      4.74322940859848
  H           1.62037216403207      1.10233207518809      6.26274342225684
  C           0.28193828437979     -1.12136753129718      6.99094043050304
  C          -0.93474422272454     -1.78233346911793      7.59377121105684
  C           0.19183613727864     -2.62533653547796      7.09192109382782
  H           0.95957880033114     -0.63985697970492      7.70192686763185
  H          -1.86056507939964     -1.75848747256737      7.01071761172648
  H          -1.07600350115307     -1.68689482061145      8.67372803344896
  H           0.83993552757077     -3.12045878895029      7.82014489106096
  H           0.04473083616348     -3.18341116029452      6.16214612078805
*

