#
#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         -0.13843266759835     -2.10574470420239      0.12934485697008
  C           0.87879785135218     -0.06071780014411      1.57071496774080
  C          -0.31079656521461     -0.31831808360095      1.24053790117763
  C          -0.02042532696540      2.15919772207704      2.32810615360404
  C           1.04839685331872      1.66132525867299      2.99700473744488
  H           0.90244724654581      0.99433500124403      3.83886108451661
  C          -1.57279657210572      0.43006826961538      1.45485259544755
  H          -2.39093472016394     -0.22889123773988      1.74718811385397
  H          -1.85185735915308      0.89771508981635      0.50675976659018
  C          -1.34574020124195      1.51672089304118      2.55077155612077
  P          -0.08768805876981     -4.03203226673927     -1.10950774407244
  C           0.90621555231997     -3.88963833973372     -2.61382688795311
  C           0.59550660070658     -5.44966849893937     -0.21796153180315
  H           1.94384671766892     -0.20073273654337      1.55214069791744
  C          -1.72551865887371     -4.55969732922435     -1.66576276790630
  H          -2.17217851798742     -3.77411127650980     -2.27784415458004
  H          -1.64095587304335     -5.47682099132504     -2.25337799612340
  H          -2.36402648331102     -4.73924311221970     -0.79897734929496
  H           0.50120742331991     -3.09524696336764     -3.24328350534538
  H           0.89005462352511     -4.83434870800623     -3.16238839628183
  H           1.93485295316737     -3.64027131883337     -2.34737988753733
  H           1.62060290541105     -5.22901566799100      0.08501116978840
  H           0.58678372976157     -6.33304287157490     -0.86082551480981
  H          -0.00336743850388     -5.64171335640875      0.67406470013912
  H           2.04814075381333      2.05112629638602      2.84260146539335
  H          -2.17161441725431      2.22552017172902      2.49339834849384
  H          -1.36389206018193      1.03494567344311      3.52857543277046
  C           0.12307512230083      3.16377866513051      1.24785358300336
  C          -0.91421826662315      4.04974581092975      0.94530374059593
  C           1.29795462277964      3.24960602859958      0.49642987017768
  C          -0.77557762372818      4.99734977715623     -0.05759937844820
  H          -1.83788016333763      4.02074323574621      1.51098083188486
  C           1.42950194171378      4.18956883573488     -0.51295007554733
  H           2.11197923780452      2.55858458737561      0.68395585627712
  C           0.39814000097527      5.08371239620563     -0.80798335056484
  H          -1.59925935717471      5.67578009654509     -0.25256524971578
  H           2.34796178418133      4.22839308877017     -1.09018971941417
  C           0.57862517963989      6.07853996416501     -1.89885212521508
  C          -0.58054354405101      6.47153481826282     -2.78274233662717
  C          -0.03315455495329      7.45465545967338     -1.79675306741047
  H           1.54652270081986      6.02562058140861     -2.38363738035187
  H          -1.54050635745234      6.01722117139558     -2.56573313545243
  H          -0.37162289704088      6.62866631327199     -3.83422081368505
  H           0.55170659199471      8.28604199448898     -2.17176583735249
  H          -0.62259529839065      7.66720120221849     -0.91236655441542
*

