#
#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          -2.40781811331926     -0.23657308084477     -0.86376977131672
  H          -2.65393885350138     -1.21191918068328     -1.31048186570052
  H          -3.10063752431686      0.47192242207426     -1.36275161378261
  C          -1.03485977868687      0.19016209501225     -1.24689857650304
  C          -0.41486611775888      0.83917163277371     -0.14963365549238
  H           0.66284064389197      1.00184525916061     -0.09242976011765
  C          -1.28899463083146      1.96795679677529      0.49480674520690
  H          -0.65960731898310      2.74475722932555      0.93501478858808
  H          -2.14481264117644      2.32681070388706     -0.08210020110735
  C          -1.32620700710298      0.65249923283910      1.11926593022064
  C          -2.48843011629545     -0.22680762692664      0.66955039768116
  H          -2.35785456527222     -1.24571176617230      1.06220899882535
  H          -3.44540515631405      0.15883655714924      1.05027861604397
  Au         -0.17918259174782     -0.11628826736146     -3.06416858068576
  P           0.80844842058379     -0.44285602190592     -5.17249798706177
  C           0.46780474663704      0.91783275543930     -6.32960353751828
  C           2.62029579364696     -0.57781625939021     -5.10986775361150
  C           0.24009410126585     -1.94858375835505     -6.01812090000671
  H          -0.84982456923712     -1.90395109370518     -6.15676899352779
  H           0.72820877628162     -2.04284502246726     -6.99974527722867
  H           0.48195726350657     -2.82934777035081     -5.40577521963321
  H          -0.61769163308627      1.01684784224070     -6.47473775738537
  H           0.94842246001869      0.72275128909544     -7.30010348508617
  H           0.85548257670847      1.85994995865145     -5.91559161862545
  H           3.04289323591221      0.33888248327450     -4.67357749556474
  H           3.02833336979855     -0.71988866968954     -6.12188572038702
  H           2.90587949614318     -1.43223377111381     -4.47927468093807
  C          -0.68199215883299      0.40071439404112      2.44613230776506
  C           0.00827860741355     -0.79205979320075      2.67526410785648
  C          -0.79628374110828      1.32915926483119      3.48278544626443
  C           0.57893612444382     -1.04480658072149      3.92121397346083
  H           0.10634031127150     -1.52638572843649      1.87031939638055
  C          -0.22299766609779      1.06736071023628      4.72638112735415
  H          -1.34412977180765      2.26048165538357      3.32080389195925
  C           0.46827627196931     -0.11924621421741      4.95593567977925
  H           0.91465112875082     -0.32070375724624      5.93064417581706
  C          -0.32753762168028      2.10599205929751      5.81411778151234
  F           0.58129671644470      3.07868793039065      5.65159290121086
  F          -0.13113510544885      1.58543875224142      7.02883787050239
  F          -1.52830730738636      2.69691015866250      5.82069364344959
  C           1.30567319361716     -2.34928544029417      4.12840736957006
  F           1.88070849704501     -2.42720472992032      5.33067392041800
  F           2.26819790727475     -2.52456195585824      3.21277201723069
  F           0.47472106736683     -3.39517561392140      4.01659294418368
*

