#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au          0.28007524954551     -2.69454649550508      0.49306747717823
  C           1.33396066260382     -0.38266955066735      1.50143651613766
  C           0.14454615607167     -0.80429773509176      1.41679218318248
  C           0.35690042263576      1.78254853327227      2.21318420816500
  C           1.57616152265375      1.44193930205156      2.70046412596727
  H           1.65482688511994      0.86210575668569      3.61282059907760
  C          -1.13366385206343     -0.15217372264175      1.79178173447786
  H          -1.81537973510506     -0.84361374617523      2.28769272916824
  H          -1.62097927546127      0.18534106720119      0.87306238818905
  C          -0.83821930462404      1.06278143923611      2.72692595690837
  P           0.29188026737017     -4.75740619147337     -0.50494690606089
  C           1.94058161920157     -5.49047076421720     -0.63188791086497
  C          -0.70881987792643     -5.97903847783648      0.37656013950194
  H           2.38461208401327     -0.43616709553956      1.28055300829435
  C          -0.35426600325363     -4.73765479957097     -2.19399807269749
  H           0.25343630545052     -4.07032627839349     -2.80771039756756
  H          -0.32850167459546     -5.74557573678394     -2.61481333117553
  H          -1.38262803742687     -4.37198095418884     -2.18570847782338
  H           2.58581779954492     -4.83436243796975     -1.21876123010161
  H           1.87734658481368     -6.46826310669984     -1.11531715470485
  H           2.36594045349907     -5.60430675917385      0.36684286055719
  H          -0.32528843860001     -6.09972254715394      1.39128429793102
  H          -0.67058472612633     -6.93829900381623     -0.14494879551447
  H          -1.74277375322011     -5.63310987637944      0.42799887805259
  H           2.48411238797123      1.90011662429575      2.32446221286561
  H          -1.72859583022815      1.69063781305717      2.74926050506030
  H          -0.64207609472270      0.68931705920863      3.73198004578666
  C           0.20604118548149      2.70090414137901      1.05602756130790
  C          -0.91070870554512      3.53520868383466      0.95925063199157
  C           1.17276179543541      2.74786275424941      0.05031600612978
  C          -1.04830248203612      4.40690851115333     -0.10829479323205
  H          -1.66998529286031      3.52466161061506      1.73113070619916
  C           1.03494922165153      3.61101146721971     -1.02624211495272
  H           2.03343294595126      2.09139882336884      0.09282727803903
  C          -0.07467105392271      4.44160379891178     -1.10013678124966
  H          -1.91295990944100      5.05847367568099     -0.16816526134854
  H           1.78905643451981      3.62976207009915     -1.80306976896633
  C          -0.26229248435383      5.38293981212281     -2.25870642853638
  F          -1.34065724803418      5.05113287734826     -3.00569000764538
  F          -0.46472226487343      6.65418931382946     -1.84708970814745
  F           0.79472506088583      5.40537214445724     -3.09071290957956
*

