#
#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          -1.28039238459636      0.84146792785784     -0.37982004671361
  H          -1.50747212929085     -0.17346979572031     -0.03261125269539
  H          -2.11051104226636      1.13092846824280     -1.02933862255654
  C           0.01593064128075      0.83339603176201     -1.15959758949778
  C           1.11260566519946      1.34234920830764     -0.58858632665571
  H           2.06037158794582      1.36523413058690     -1.12149554859211
  C           1.20044278072434      1.89014036011336      0.83190425591751
  H           2.11027820319085      1.52114550973570      1.30082370119843
  H           1.28589074216900      2.98519890028766      0.79525231762922
  C          -0.02694804427413      1.56764958629157      1.61736507083821
  C          -1.26116056128461      1.81142588615027      0.82125097400472
  H          -2.17981694864103      1.73066211321848      1.39595177486674
  H          -1.19457733520580      2.83060791433280      0.42572489890512
  Au          0.03260312759617      0.03393936100493     -3.06142248002648
  P           0.05238428419278     -0.85129207506377     -5.19470950799035
  C           0.82607458964847      0.21997551650880     -6.43681890152627
  C           0.94228897691165     -2.42426929493130     -5.34488106800881
  C          -1.59332482109334     -1.20288504047391     -5.87073167254224
  H          -2.17755760668462     -0.28113383819446     -5.90344010280986
  H          -1.51088211626371     -1.61680682933324     -6.87860561422114
  H          -2.10619563796654     -1.91861692450464     -5.22519057159267
  H           0.29046404566944      1.17031193388389     -6.48117756602995
  H           0.80268458318167     -0.25697878220738     -7.41962146568790
  H           1.86194059546995      0.41584776887865     -6.15278778361583
  H           1.98085609194798     -2.28455929050263     -5.03838466872677
  H           0.91270664159739     -2.78234212710556     -6.37678360212934
  H           0.48145457826456     -3.16601801866351     -4.68951120990581
  C          -0.01448602281272      1.05454076942896      2.89357034260070
  C          -1.22971103123709      0.70376698908362      3.58592933678149
  C           1.21129846924185      0.83480785126984      3.62052806024998
  C          -1.23060395718729      0.18979170545060      4.83626745303693
  H          -2.18205778900586      0.83975166909979      3.09221651682041
  C           1.23119366324831      0.32528841313025      4.87244844547945
  H           2.15598898823770      1.09662421122046      3.16396130643828
  C           0.00572797765330     -0.02556777486183      5.53838853972541
  H          -2.16606035958961     -0.07463899380402      5.30913095993207
  H           2.17389786594738      0.19268051131656      5.38459119751685
  N           0.01595488007855     -0.52703439667370      6.75475065763535
  C           1.24228417789007     -0.84489303739080      7.51219733493340
  C          -1.19680694914658     -0.84623566399965      7.53326420767842
  H           1.94419372023359     -1.38840580708725      6.88056137474270
  H           1.71008984470827      0.08546046463550      7.84605342755122
  C           0.73086359275260     -1.67334646993668      8.68638339103073
  H          -1.90256360668968     -0.01735783580852      7.48743773113041
  H          -1.66846966670318     -1.73927018757832      7.11400872262079
  C          -0.66185454747355     -1.09701376332002      8.93970419972469
  H           0.65689898940573     -2.72405722320143      8.39424855301702
  H           1.39166877056532     -1.59864995385171      9.54994400735881
  H          -0.58556672718995     -0.15068970614207      9.48135231058920
  H          -1.30999721345932     -1.76830035569136      9.50295591946234
*

