#
#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
  C          -0.88288846709461      1.53094545009194      0.22968027070695
  H          -1.77414600172819      1.60024996598394     -0.40844976217673
  H          -0.46641265808319      2.55442168858908      0.28606367758321
  C           0.17661706831592      0.60182908267573     -0.34154764969609
  C           1.13169830787443      0.25690931322916      0.53906035857148
  H           1.96686406663062     -0.40816890691894      0.29776698323250
  C           1.12571866118947      0.79592249903864      1.96500805183027
  H           1.89833365296269      0.34089607557733      2.59109789358883
  H           1.34151350044896      1.88979446322217      1.93452383444273
  C          -0.22421451212980      0.75167062951516      2.55160016320356
  C          -1.32418096052988      1.09956805476003      1.62756827248209
  H          -1.95446943623940      0.19001499569798      1.56920986161076
  H          -1.97227745804527      1.85410208513706      2.10391581007253
  Au          0.13645735263457     -0.03095494331650     -2.30231124788519
  P           0.09171974487460     -0.74428999773422     -4.53394973113789
  C           1.12559698121072      0.25402368995635     -5.65336206305959
  C           0.67039370920407     -2.45427605249925     -4.77753326352042
  C          -1.56567687551364     -0.70934823520597     -5.28928230996818
  H          -1.95972323969314      0.31726194168180     -5.26657919923448
  H          -1.52566728393027     -1.05965713404718     -6.33179137831252
  H          -2.24484011500564     -1.35622448720438     -4.71485326040826
  H           0.78439916774721      1.29943445875209     -5.63559884387837
  H           1.06606569742714     -0.12980985495981     -6.68311352344767
  H           2.17163507376240      0.22281593071360     -5.31501749683736
  H           1.70881616946243     -2.54504183676823     -4.42659867949605
  H           0.62126236805371     -2.73462690785143     -5.84063173440980
  H           0.04285607833817     -3.14127516627984     -4.19106223471662
  C          -0.47620108755883      0.40022731298290      3.91977841228267
  C          -1.80437330799615      0.35490643970674      4.41855176170894
  C           0.58488077607171      0.10526348338225      4.80915085187075
  C          -2.05925089505403      0.02728992935111      5.74046836734873
  H          -2.64497183430800      0.57683239283010      3.75967449475137
  C           0.32522732626031     -0.21058944810269      6.13483238950316
  H           1.62349525429163      0.12681766613764      4.47432753218023
  C          -0.99733420713575     -0.25213181761263      6.59925785533365
  H          -3.08683176495552     -0.00690396528559      6.10660610626004
  C           1.45401732985823     -0.50741821274011      7.06194216005568
  H          -1.17860063545904     -0.50671712134345      7.64706366908422
  O           1.30202527537258     -0.78880941821949      8.22435507708196
  H           2.46838817846882     -0.45079204292310      6.60245952339889
*

