#
#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
  Au         -0.10021442148454     -2.10409805067060      0.12570348104771
  C           1.09082342819373     -0.09625333952435      1.42753517910651
  C          -0.13529633897037     -0.34293340043716      1.29757183631618
  C           0.28059210711208      2.12517443829379      2.39451588825754
  C           1.45101991250822      1.64010555522548      2.87788771480505
  H           1.44830118217209      0.94173883739534      3.70668438380325
  C          -1.35787114643912      0.37045586084369      1.73735217707891
  H          -2.10274334331257     -0.31737453940123      2.13888765010038
  H          -1.79786781226595      0.85677682226960      0.86260829039670
  C          -0.97169297801569      1.42852176829543      2.81395077925814
  P          -0.22737122566133     -4.00930495673714     -1.13916628556175
  C           0.61241058345760     -3.87778130756737     -2.73545519827805
  C           0.49318522069560     -5.45981280252055     -0.33498662834300
  H           2.14393433684231     -0.20691969857792      1.24851025210365
  C          -1.93025301149662     -4.47451132606885     -1.53237250881781
  H          -2.40767788188730     -3.66716530686277     -2.09055163969010
  H          -1.93772096786185     -5.38737285038908     -2.13256667067355
  H          -2.48511684840620     -4.64154438577951     -0.60745004248715
  H           0.17442692804341     -3.06003462846334     -3.31046359047040
  H           0.50460447665349     -4.81314133464081     -3.28975573152199
  H           1.67153956795260     -3.66952730009769     -2.57374807767269
  H           1.54976845565864     -5.27602255517326     -0.13218779712656
  H           0.39215341472884     -6.33345120615015     -0.98323205564273
  H          -0.02160837756529     -5.64451609526657      0.60955789572906
  H           2.41000521823410      2.05428912516803      2.58905505770878
  H          -1.81516336061094      2.10784047262589      2.93431129009210
  H          -0.80505533041689      0.91499371828902      3.76119398235391
  C           0.21402602291319      3.15239023177543      1.33688934308188
  C          -0.95352225620129      3.88141787333442      1.09381304909599
  C           1.31228963851486      3.42861048945919      0.51243182940781
  C          -1.02281966185097      4.85037739525903      0.10827706589891
  H          -1.83938103711305      3.70870845215243      1.69325012353652
  C           1.26078822670057      4.38379014090640     -0.48260947492288
  H           2.22967366203155      2.86213612488990      0.62738937657835
  C           0.09102951285857      5.14347528249442     -0.70292054895321
  H          -1.95382054200221      5.38365360210422     -0.02567822198337
  H           2.13649894095099      4.53562221101047     -1.09849084596929
  N           0.04343525318759      6.12626358087451     -1.66242977511960
  C           1.10818499650299      6.20063607944224     -2.65018492908340
  C          -1.24935528051375      6.66933057066867     -2.04771613960530
  H           0.91880409504777      7.05054632938737     -3.30407392048547
  H           2.07563999479635      6.36161313383943     -2.17014066288894
  H           1.17065699611250      5.29355136416136     -3.26601985849530
  H          -1.09448154174486      7.44160922256339     -2.79961789612272
  H          -1.91509972321708      5.90278032624103     -2.46609606637842
  H          -1.74809703483177      7.13322423535805     -1.19405988946357
*

