#
#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          -1.53729513737846     -0.95682302669650      0.51272802455086
  H          -1.57299593403182     -1.86320045167571     -0.10678592415066
  H          -2.57956784535230     -0.59118954277834      0.57934295972287
  C          -0.68068211284187      0.14154432642312     -0.09718605243887
  C          -0.39376805913660      1.14057731296565      0.75561784242678
  H           0.22327996544085      2.00648189258153      0.49572408405180
  C          -0.93419809598092      1.12524904142372      2.18441512731755
  H          -0.56738738666663      1.96272589523586      2.78275819832199
  H          -2.04294386062894      1.20650376843394      2.14733869337338
  C          -0.69090972161673     -0.20032886911841      2.78163780093045
  C          -1.05316817669044     -1.34452274581771      1.91134401505211
  H          -0.16352935104029     -1.99556886194762      1.84726813641716
  H          -1.80670405945442     -1.95000918870508      2.44655999540203
  Au         -0.06671391581552      0.10644120100659     -2.06378023246287
  P           0.62547649164842      0.08940696779207     -4.30274119591740
  C          -0.53052098478255      0.92469887803451     -5.43634159445739
  C           2.22493287029504      0.91170009131371     -4.59219193665626
  C           0.83259897231539     -1.57584562212142     -5.01128580132033
  H          -0.12034542417752     -2.12198881917054     -4.95319918856333
  H           1.15034575606413     -1.51377695444913     -6.06318963231393
  H           1.58891329031579     -2.13034312242742     -4.43671057784344
  H          -1.51478911467000      0.43684219288361     -5.38310825424318
  H          -0.15953480784514      0.88174877632128     -6.47160443122288
  H          -0.64617160236331      1.97654691023415     -5.13644140332596
  H           2.17015056018452      1.95619734211691     -4.25220257808140
  H           2.48379484004648      0.89213507171660     -5.66175136447439
  H           3.01243770782023      0.39916713645824     -4.02040543110833
  C          -0.14485517098243     -0.39388207613335      4.08898466444764
  C           0.00746188627021     -1.70356748362480      4.61241588768018
  C           0.23932150015242      0.70950568457406      4.89506349443152
  C           0.51491094028888     -1.88550804164167      5.88594536095776
  H          -0.27776132416520     -2.57404564862080      4.02025440432458
  C           0.75274938526166      0.53500236909371      6.17431133665639
  H           0.13937609024673      1.72645354486243      4.51421745467391
  C           0.88253584554006     -0.77837479286949      6.65491664705950
  H           0.62879590650467     -2.89263988545653      6.29192734978624
  C           1.16237719844942      1.70477170252248      7.02642736430840
  H           1.28583570320489     -0.93711336575852      7.65976673196204
  H           0.61692777627554      1.70305394151560      7.98236310547759
  H           2.23637413119264      1.65879759715956      7.26314687431969
  H           0.96451426810314      2.65864085434370      6.51902204492793
*

