#
#Opt
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.04193424391580     -1.95928110298328      0.16548073396066
  C           1.19678528637484      0.21168204684745      1.14503266974812
  C          -0.03421325810330     -0.09824340547779      1.17126450780183
  C           0.37028547153678      2.48386157952779      2.05789118652001
  C           1.61420900091048      2.05787916057621      2.41649605484875
  H           1.74305124940796      1.40467683469256      3.28326634020913
  C          -1.23556005869438      0.60827519119474      1.68485531698525
  H          -1.91906849730961     -0.07446218895713      2.20900489507783
  H          -1.78801970062054      1.00956778842358      0.81931947892840
  C          -0.80024705574520      1.76123072546728      2.63951405323669
  P          -0.21146567466238     -4.01024177598562     -0.90730784806729
  C           0.75995786291048     -4.10972194495579     -2.43948974416475
  C           0.35075360459970     -5.40206956284239      0.11687882033811
  H           2.23962140345739      0.12255584243875      0.86013900887841
  C          -1.91643981232349     -4.41897232674437     -1.38456619688562
  H          -2.30153694862223     -3.65287275428141     -2.07284349615346
  H          -1.94499387427140     -5.40087793777795     -1.88039293573549
  H          -2.55439484840682     -4.44390303599442     -0.48936473039035
  H           0.41444405826369     -3.34146312894551     -3.14618520976818
  H           0.64505135740594     -5.10387737571783     -2.89723189124048
  H           1.82178376618649     -3.93227693654605     -2.21593399114700
  H           1.40803345195060     -5.25997211861936      0.38338613081488
  H           0.23795516221040     -6.34847295086172     -0.43306836902564
  H          -0.24387880026943     -5.44355950988212      1.04081005251622
  H           2.52151459916213      2.50166021097347      1.99864024550832
  H          -1.67025237450041      2.41346289197072      2.79259211813485
  H          -0.52513866083303      1.32765972732167      3.61073174708723
  C           0.14722824793334      3.47065863748346      0.97362540470934
  C          -1.03647989596796      4.22990443798753      0.91090196628128
  C           1.10326766863327      3.67999583561954     -0.03116406747800
  C          -1.24374764707215      5.16110638002942     -0.09421133282497
  H          -1.80837635518601      4.11025892401791      1.67434613943219
  C           0.90633377283603      4.60432578470005     -1.05292173857254
  H           2.02383725375720      3.09101434125793     -0.03908637963569
  C          -0.27470945061799      5.35884414946338     -1.09000025357949
  H          -2.15973733297133      5.75531009031127     -0.12863511242354
  H           1.67438696334723      4.72419837773332     -1.81820541781452
  O          -0.56089387980172      6.27423757241325     -2.02909524960459
  C           0.37666690973677      6.53016135321569     -3.05321559838141
  H           1.32941922622571      6.90795100478400     -2.64630642574342
  H           0.57017860594442      5.63124666555314     -3.66168957267995
  H          -0.06590651289566      7.30259272256855     -3.69414848970111
*

