#
#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          0.02101547644273     -2.14848208364541      0.12173041787277
  C           1.21943733300694      0.02945042539771      1.24134720781340
  C          -0.00612333145897     -0.30953960302645      1.15896020363232
  C           0.33908795546700      2.22340905884647      2.16718934832642
  C           1.55811696367387      1.76038513939228      2.56537166807614
  H           1.63609520176517      1.08637402881442      3.42237911076818
  C          -1.24120838768692      0.38580688038797      1.60262014189446
  H          -1.96885655400870     -0.30656346001001      2.04865437643291
  H          -1.72209864416503      0.82253600038362      0.71194543377142
  C          -0.87871463294984      1.50406375910732      2.63094545632691
  P          -0.09879184800697     -4.17901945226182     -0.99694172419605
  C           1.11512799832765     -4.34415706745308     -2.33894162013695
  C           0.18415530118477     -5.61014606965663      0.08668718755937
  H           2.27464477646243     -0.06946920493821      1.00614209989399
  C          -1.71834758623739     -4.46563252995597     -1.76947453806120
  H          -1.92054912758173     -3.67520352394193     -2.50667280346262
  H          -1.73027295957880     -5.44405813078299     -2.27286647910179
  H          -2.50427201280413     -4.44174671731910     -1.00086886075450
  H           0.95615407065011     -3.54959289854915     -3.08218220632961
  H           1.00867255984043     -5.32534690192098     -2.82583574248439
  H           2.13167931817164     -4.24918067001117     -1.93076477138899
  H           1.17979211283317     -5.53312895370446      0.54696520184023
  H           0.12298943442523     -6.54300904854372     -0.49380728049677
  H          -0.57305314414750     -5.62669159544803      0.88386117648401
  H           2.48678798974068      2.21535810983677      2.21022651823647
  H          -1.75163906733645      2.16395343924549      2.72328830910141
  H          -0.69130244824421      1.03526210113177      3.60646857472904
  C           0.20422487051263      3.27922143743272      1.12780059002655
  C          -0.86684497017131      4.18443973188918      1.17867472396238
  C           1.13965605096057      3.39164722938818      0.08580115307611
  C          -1.00108055261293      5.18489208439410      0.22272437555900
  H          -1.59997375888875      4.12731750933417      1.98536031938856
  C           1.01215609630903      4.37941548651474     -0.88185830195283
  H           1.96850518171285      2.68430781406011      0.01219940244023
  C          -0.05905180486721      5.26255688085128     -0.79555802652470
  H          -1.82611336170228      5.89627215677874      0.26328648745815
  H           1.72879252295973      4.46593853546251     -1.69884678977147
  N          -0.20340946331816      6.30872230624301     -1.82143145648008
  O          -1.13558806860777      7.07497715303328     -1.72038092891560
  O           0.61795484992841      6.34498594324329     -2.71061287461290
*

