#
#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          -0.97754012964481      2.14259486544530      0.21359196750864
  H          -1.94686237765952      2.06101067080526     -0.29989199466989
  H          -0.52606188585560      3.07110221126401     -0.19308849457410
  C          -0.05996046050843      1.03474842055791     -0.17633430542898
  C           0.73977792342146      0.66336030312175      0.92640719044401
  H           1.29777985169942     -0.27414201530308      0.95996060443482
  C           1.39252434183113      1.84671216457921      1.71742153538772
  H           2.32031840082899      1.52596539335570      2.19622698832018
  H           1.43535572445722      2.81175255923724      1.20638486407876
  C           0.12875313663640      1.34651942751988      2.22872559610775
  C          -1.09398986546739      2.11924769476935      1.74397576633986
  H          -2.01050823215429      1.59022822423743      2.04220670934067
  H          -1.12609782821268      3.12279982173382      2.19306695161482
  Au         -0.00276633131848      0.15548341662331     -2.00915192744890
  P           0.07609716088629     -0.85973674185828     -4.12726902110410
  C           1.32756420507507     -0.13151336117493     -5.22761219650168
  C           0.47067994543906     -2.63354749931655     -4.06332592958140
  C          -1.48889045730638     -0.74868122016923     -5.04614828003106
  H          -1.75526693619949      0.30808996042392     -5.19305976155911
  H          -1.39176846403822     -1.23840713609060     -6.02681079945026
  H          -2.29037469144570     -1.23815132286279     -4.47408886133108
  H           1.11096928098055      0.93577448413579     -5.37970313805186
  H           1.32302944515841     -0.64587414344864     -6.20035366437267
  H           2.32290905696929     -0.22763123638315     -4.77018362673575
  H           1.44862650061356     -2.77645087239854     -3.58128538251140
  H           0.50093540089467     -3.05447441781225     -5.07955185870291
  H          -0.29321745705780     -3.16154547738978     -3.47435659388047
  C           0.05064249720381      0.53971156956111      3.48506376215036
  C          -0.87256727731107     -0.50688699229038      3.59330178754090
  C           0.86769149866543      0.82937571779696      4.58455484238581
  C          -0.97082285768278     -1.24324660799799      4.76903765684228
  H          -1.51515554076932     -0.75550029002979      2.74347415847853
  C           0.76597538639611      0.09400017809347      5.76147082118800
  H           1.58877492250063      1.64883325295661      4.52387604346197
  C          -0.15650375053202     -0.95706805962332      5.87634240222117
  H          -1.69361462067872     -2.06153198239420      4.83511684589630
  H           1.41727824734467      0.34891196916445      6.60106087162607
  C          -0.30779186005398     -1.76950603886550      7.10332345055132
  C           0.35868730470733     -1.61979292151576      8.25229491023356
  H          -1.05512804408182     -2.56835429065519      7.03065620576089
  H           0.16025243764947     -2.28345620443061      9.09845477499568
  H           1.11697503861954     -0.84485180337191      8.40308986902551
*

