#
#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          -1.87664307376980     -1.44514779056920     -0.47583289073236
  H          -1.53042091601103     -2.37374036720761     -0.95467982661795
  H          -2.85003015797844     -1.23554530273184     -0.96549659408590
  C          -0.98651620671970     -0.30596257658761     -0.82432460390174
  C          -0.83975743358385      0.54453559913720      0.30207844756243
  H          -0.04157115997805      1.28455467848629      0.38288717679546
  C          -2.19341996435964      0.95817163556250      0.97074068646538
  H          -2.11212804371610      1.93850269026523      1.44564739179920
  H          -3.10741074894392      0.78778066386296      0.39686053463276
  C          -1.47534149601753     -0.16985146460185      1.54866608668492
  C          -1.94245642113270     -1.53598758059588      1.05564489418233
  H          -1.25838272611043     -2.31738993141104      1.41640654507358
  H          -2.94863338324940     -1.76919662687361      1.43275007342585
  Au         -0.09732725484575     -0.03587586797325     -2.63062066001934
  P           0.92898669572971      0.26578601105110     -4.72444819274083
  C          -0.19007579396638      0.96806911894144     -5.97337860518576
  C           2.36221503375623      1.38291348154788     -4.67580271426468
  C           1.54944858123703     -1.28282080035487     -5.44666447343148
  H           0.71692881358560     -1.98903770616425     -5.57883007997368
  H           2.01968188604012     -1.08866764997887     -6.42235681104296
  H           2.28973553453370     -1.73372397367690     -4.76996201499774
  H          -1.05260097263221      0.30052287916996     -6.11288760983641
  H           0.33640780378363      1.08701049137316     -6.93227158559040
  H          -0.55399514273366      1.94835241573003     -5.63314221802082
  H           2.04311031922694      2.37493194391554     -4.32461133541755
  H           2.80859821339968      1.47730677340733     -5.67707965236986
  H           3.11460552467744      0.98779166765567     -3.97787867975419
  C          -0.78214375649408     -0.06693425890046      2.87089989931463
  C           0.45315243708949     -0.69945283781792      3.04930589526404
  C          -1.37788719066158      0.62212082264059      3.92893524645685
  C           1.08501259889627     -0.62786348027765      4.27750570560090
  H           0.94017589276613     -1.24527112326452      2.23854355651082
  C          -0.73890137534070      0.66959434975780      5.15846057001402
  H          -2.34092599188819      1.12405156368887      3.82039533236796
  C           0.49822239315964      0.05234837518778      5.34909856941786
  N           1.16951024285164      0.11735400712859      6.64287774053526
  O           0.49326042688029     -0.06331879785984      7.62910377093177
  O           2.35710852597748      0.34701808231990      6.64079255165995
  F          -1.29892855606108      1.33545369232301      6.15484061223371
  F           2.24855243260320     -1.23459793630566      4.44798463105393
*

