#
#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          -1.61898046395847      1.88236317255646     -0.24126508039491
  H          -2.49102792016252      1.42588510484075     -0.73065943432868
  H          -1.54067736280160      2.89570426748780     -0.68699376403924
  C          -0.35068503188006      1.17997455942913     -0.59569356924339
  C           0.55374287494988      1.23859296871369      0.48081452012940
  H           1.43515961097652      0.59783334933063      0.54493467821430
  C           0.67809485341257      2.60569908307623      1.22987393681417
  H           1.65674578146213      2.69707493780624      1.70577229089642
  H           0.33543874001544      3.48890125829358      0.68448855773634
  C          -0.28474040642759      1.67692969800459      1.78540816063756
  C          -1.71244323727460      1.88271319883637      1.29012056721406
  H          -2.34821573975872      1.05047968351291      1.62437691703728
  H          -2.13502287932599      2.81139582585264      1.70177194008364
  Au         -0.01419157404797      0.21267637948352     -2.35442582632941
  P           0.37399174869125     -0.89324259843710     -4.39095586275626
  C           0.60259659952420      0.24746955708216     -5.78884218828367
  C           1.85847213131006     -1.94315031831183     -4.37981853037144
  C          -0.98675403479619     -1.99297069117710     -4.88604042086267
  H          -1.91513130740964     -1.41130351759991     -4.98078188220541
  H          -0.75925548530200     -2.47502983285765     -5.84872533952413
  H          -1.13400308612879     -2.76649783391268     -4.11829648763429
  H          -0.29565228720975      0.87084942456336     -5.90612200194041
  H           0.77823979697454     -0.31627269389803     -6.71731776796033
  H           1.46315370928080      0.90333941907422     -5.59272021609111
  H           2.74267736109938     -1.33027567324932     -4.15235595100161
  H           1.99209183666522     -2.42689239654070     -5.35910497823731
  H           1.75603024898386     -2.71562159449477     -3.60383612495868
  C          -0.02722649438459      0.94629548744899      3.06104090434532
  C          -0.51585279347478     -0.36689464156418      3.21782750593938
  C           0.66082368316027      1.54254388943288      4.10945516769085
  C          -0.31284024746737     -1.06730628272145      4.39825378812090
  H          -1.04625739111902     -0.83866360542297      2.38840845550404
  C           0.86924516230273      0.84850729130932      5.30968450433808
  H           1.03549370330952      2.56444604210454      4.01420016922241
  C           0.39417820871458     -0.44849009291854      5.46823298717012
  O          -0.73448096801147     -2.32381306897518      4.63013774284169
  H           1.40570339683489      1.34046843195430      6.12209359714345
  O           0.54559531065039     -1.19734995345763      6.57281842490662
  C          -1.43694042673211     -2.99846069090932      3.61273615692866
  C           1.24953237151978     -0.65720985090062      7.66812009093618
  H          -1.67917278954775     -3.99382391994416      4.00569969186312
  H          -2.37571459854609     -2.48008428942224      3.35250112388046
  H          -0.82462361023290     -3.11430411882860      2.70210272001514
  H           0.75258862254024      0.24202891843521      8.06986131018443
  H           1.26090770946744     -1.43224351042187      8.44453970739009
  H           2.28996925415427     -0.40665401266368      7.40003383897883
*

