#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -0.17720267985456      2.54509628876997     -0.21871019530703
  H          -1.11926360195945      2.67536267454230     -0.75055304120685
  H           0.49952120821587      3.32515151011045     -0.59706690400522
  C           0.46308835445170      1.22905767517468     -0.52943725935236
  C           1.24511863904222      0.79500793331783      0.53080324137842
  H           1.61542702391186     -0.21615872637375      0.62221092000606
  C           2.02939167415020      1.86296210977731      1.36227415345989
  H           2.86627433958508      1.40387035223871      1.87255518898364
  H           2.24299042591939      2.78597031205113      0.83642679047315
  C           0.69877600451338      1.62505403652085      1.85730384204379
  C          -0.34687565649891      2.58063221142568      1.30603686367507
  H          -1.34653346471200      2.23688031855943      1.57261235226511
  H          -0.20498512707422      3.57599746354740      1.73362037293833
  Au          0.12554268795181      0.16868216730028     -2.23784929556007
  P          -0.26416674194133     -1.03324093813426     -4.17988052136065
  C           0.50762490649393     -0.30328634397209     -5.64562846139019
  C           0.35313264688368     -2.73372957631240     -4.11970145386263
  C          -2.01941875831050     -1.18349841619550     -4.59665334527725
  H          -2.44743010000991     -0.18817722574478     -4.72996879894945
  H          -2.13875110828866     -1.75818525502262     -5.51808019561368
  H          -2.54473630376367     -1.68708311261287     -3.78301710044721
  H           0.12241499925569      0.70717012377450     -5.79444387286616
  H           0.28796953468313     -0.91069570920378     -6.52674911171530
  H           1.58814415653448     -0.25086526702719     -5.49963066815273
  H           1.43044197393814     -2.72318761793727     -3.94404285882765
  H           0.14262776612908     -3.24402726968073     -5.06250410619168
  H          -0.13196520507217     -3.26761373238695     -3.30040115033161
  C           0.43932643294254      0.83321889714368      3.08175633653330
  C          -0.75412654188238      0.12277189635096      3.23045254055754
  C           1.35534153526195      0.78127683041543      4.13113112154450
  C          -1.02229509144346     -0.61643498643350      4.36632662997476
  H          -1.48997462101042      0.13657087312805      2.43252498617447
  C           1.10153334891464      0.05204265293952      5.28100839220303
  H           2.28310821606768      1.33977324360134      4.06584637830867
  C          -0.09074925666312     -0.68432740942000      5.42492941746157
  H          -1.96059469824327     -1.15024913088900      4.42755391491828
  H           1.83834171087550      0.06212388627133      6.07209593205496
  N          -0.33474343218429     -1.44710224000677      6.54565431594702
  C          -1.69128932083916     -1.91028961250055      6.79398058013732
  C           0.51199412327140     -1.26297538556575      7.71366161825485
  H          -1.69672568380989     -2.50120084333306      7.70868601536038
  H          -2.40082959249526     -1.08008117805487      6.91013676309521
  H          -2.03950902228883     -2.55336774518491      5.98334649723237
  H           0.19383792259573     -1.95881917591101      8.48865287261002
  H           1.55495835260499     -1.48487955905247      7.47817173955338
  H           0.45439429415137     -0.24234835000473      8.11548405327255
*

