#
#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         -0.07268149294317     -1.67460348969795      0.16490210039418
  C           1.09061592033590      0.54610858582509      1.12417669416379
  C          -0.14148757574493      0.25370813573600      1.03263973945676
  C           0.20957056998951      2.89390177083916      1.75907497779554
  C           1.39665034757827      2.48477590392591      2.28946119730132
  H           1.41456701405898      1.90246037619800      3.21421677868035
  C          -1.37899495404238      1.01080718921447      1.35164438034088
  H          -2.13012314370635      0.37776057204385      1.84472464110294
  H          -1.82295446996837      1.34999914511698      0.40119534312174
  C          -1.03118340709574      2.22939516623138      2.25926975636645
  P          -0.16204788995789     -3.79597315899070     -0.77125726647206
  C           0.80210442228443     -3.94921437968375     -2.30366747180605
  C           0.46632078829132     -5.09647682704141      0.33101390491846
  H           2.15713764735704      0.42201417840992      0.96961822562542
  C          -1.85150941662159     -4.30218495407480     -1.20837971999647
  H          -2.27406434797694     -3.59093156998993     -1.93266089071723
  H          -1.84150485160464     -5.30977546610583     -1.65049646101514
  H          -2.48119649405080     -4.30592307469925     -0.30696390009012
  H           0.42986300285695     -3.22969105968204     -3.04713173361564
  H           0.71407387475813     -4.96914003170938     -2.70738185548553
  H           1.85948685426256     -3.72907587745217     -2.09753000913649
  H           1.51815534097646     -4.89299635675169      0.57850416089508
  H           0.39078031991135     -6.07834583699790     -0.16011654923177
  H          -0.12002976469514     -5.10764949516317      1.26109878315309
  H           2.35366569183946      2.88321554681691      1.94309872570928
  H          -1.90258625079816      2.89751641843133      2.26819656912641
  H          -0.87194393741319      1.86774170859657      3.28442227431725
  C           0.12989543337139      3.79127908948641      0.58108391456441
  C          -1.03493868150549      4.52703285325252      0.30109117078958
  C           1.21470938070760      3.93574019972491     -0.30140076416685
  C          -1.11185668260847      5.37780237690924     -0.79395453867635
  H          -1.90285202892908      4.45685451421631      0.96015510581627
  C           1.14762310042486      4.77532947754763     -1.40495913591358
  H           2.13087761875067      3.36229039407278     -0.14179677880946
  C          -0.01923366054537      5.50886439877306     -1.65846293225110
  H          -2.01840963217365      5.95330029951653     -0.99416302284772
  H           2.00136854411713      4.86196830973304     -2.08370489283131
  O          -0.14011839406778      6.33735323270127     -2.70922266147790
  H           0.68196544457711      6.34625453472066     -3.22002963909846
*

