#
#Opt
#
! opt 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
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -0.82784910506630     -1.36539804461700      0.57644955684019
  H           0.21198372646798     -1.59311185441994      0.86836328960928
  H          -1.15911634496145     -2.20961133339241     -0.04748715986616
  C          -0.87647570836951     -0.06540911975047     -0.18460647873536
  C          -1.39963144517954      1.02101753367062      0.40550538428170
  H          -1.44547696561018      1.99502759063110     -0.09351020489060
  C          -1.95870049777838      1.06163406107434      1.84135407996540
  H          -1.70048242527875      2.01491393526919      2.31363641578471
  H          -3.06165991363411      1.00328293552507      1.79369912059610
  C          -1.47787137094769     -0.12205027556713      2.57558340446714
  C          -1.73778122746218     -1.37321440981454      1.85068108203647
  H          -1.56862306531537     -2.28420391748922      2.43230539194255
  H          -2.78085560550268     -1.35699426977883      1.49991486988075
  Au         -0.08683734741989     -0.00196071400889     -2.09517036246479
  P           0.81434758355245      0.07039832892376     -4.25526503019503
  C          -0.33906132264575      0.68147053392231     -5.52535708481019
  C           2.27740403070431      1.14498498947645     -4.40795290919505
  C           1.36905112888495     -1.55001091510843     -4.87508774053761
  H           0.51586997942799     -2.24331621496003     -4.90746818992624
  H           1.79794340459059     -1.45407736658242     -5.88410116376533
  H           2.12922463347017     -1.96267993394605     -4.19573478779874
  H          -1.23188907569228      0.03979380006957     -5.55284687425741
  H           0.13977533329595      0.68171456838117     -6.51628552407700
  H          -0.65256990084832      1.70531171295519     -5.27415756736537
  H           2.00772119161044      2.17603564239264     -4.13614921415671
  H           2.66409059979111      1.13097073420316     -5.43825204996844
  H           3.06259212624715      0.79715286220524     -3.72084493571827
  C          -0.71488571249329     -0.05493134209265      3.78100807452972
  C          -0.16565850423566     -1.23083952298465      4.35900001522973
  C          -0.47294417214609      1.18468960797060      4.43059742454547
  C           0.59302474861194     -1.16959447125729      5.51021562648517
  H          -0.32731466205010     -2.20401944062300      3.89589607719626
  C           0.27633962776637      1.24638067682182      5.58845035422881
  H          -0.88288288421603      2.11040912928538      4.02795681824433
  C           0.82003534010435      0.07003947297756      6.13832910291740
  H           1.01548241100268     -2.07931820997822      5.93985079758478
  H           0.44953788041063      2.20472607577572      6.08068169274820
  C           1.60201413631267      0.13298462520907      7.33897661324199
  C           2.26291083493507      0.18672392239409      8.35193937999411
  H           2.85120702966673      0.23287436723711      9.25568821537801
*

