#
#Single point
#
! wB97X-D3 def2-TZVPPD autoaux TightSCF
%pal nprocs 4
end
%maxcore 2000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au    -0.360331   -2.420576   -0.033905
  C     -1.005489   -0.490615   -0.303293
  C     -0.271049    0.597840   -0.577177
  C      0.291213    2.910434   -0.352782
  C     -0.810228    2.008780   -0.746915
  H     -0.952818    2.227847   -1.830125
  C      1.230597    0.720715   -0.736196
  H      1.506138    0.668557   -1.804003
  H      1.785076   -0.067836   -0.210136
  C      1.537949    2.122315   -0.197839
  P      0.335682   -4.636741    0.281223
  C     -1.001730   -5.768935    0.780134
  C      1.060105   -5.409586   -1.201189
  H     -2.087084   -0.287516   -0.225441
  C      1.609023   -4.843144    1.568070
  H      1.222323   -4.476728    2.530397
  H      1.892419   -5.901689    1.670133
  H      2.499051   -4.253473    1.303471
  H     -1.442686   -5.421378    1.725916
  H     -0.616892   -6.791456    0.913003
  H     -1.787243   -5.774391    0.010263
  H      0.325028   -5.398803   -2.019289
  H      1.355861   -6.449017   -0.992772
  H      1.944071   -4.837476   -1.519276
  H     -1.776036    2.224660   -0.267475
  H      1.696857    2.091812    0.900748
  H      2.424909    2.619570   -0.615973
  C      0.176204    4.310435   -0.143545
  C     -1.074759    4.962088   -0.295657
  C      1.309385    5.081863    0.222181
  C     -1.187290    6.322836   -0.094529
  H     -1.961524    4.391265   -0.575912
  C      1.196175    6.441402    0.430788
  H      2.283662    4.605533    0.343220
  C     -0.052996    7.073833    0.272272
  H     -2.150432    6.821567   -0.214078
  H      2.068624    7.032296    0.714240
  C     -0.170587    8.487430    0.484135
  C     -0.274111    9.680489    0.662092
  H     -0.361392   10.744897    0.818600
*

