#
#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          -3.08286141901514     -0.52705715689569     -0.33066827195072
  H          -2.40069100196978     -1.22295174017770      0.17809049820300
  H          -3.86329332580655     -1.14885085054828     -0.79601761085507
  C          -2.34974206236063      0.14128107420535     -1.41522611557368
  C          -1.88833983394947      0.79328136710245     -2.35301155174984
  H          -1.72049487167669      1.40907083103156     -3.22860681017984
  C          -3.35655412834982      2.87191868317645      1.02607140332192
  H          -2.79130158959678      3.73906456141336      1.37893791955217
  H          -4.35780903610321      3.06029000520117      0.62723401975411
  C          -2.86549186447175      1.62594127018635      1.09508764016177
  C          -3.72713715217992      0.45582520032014      0.66640625071720
  H          -4.02973782382635     -0.13573891698898      1.54635568087883
  H          -4.65351819983364      0.85431950389830      0.22930556143610
  Au         -0.06517327661111     -0.10277450163231     -1.45330478249585
  P           2.10556788170166     -0.81703512147038     -1.07763837267300
  C           2.73149780793340     -1.79468732133779     -2.47405913147789
  C           3.27192236879341      0.55630101268024     -0.87366819653958
  C           2.30597788250096     -1.87578440511747      0.38233607606361
  H           1.58460025431938     -2.70426014660056      0.34483148404529
  H           3.32782144596434     -2.28446164423331      0.39125395915223
  H           2.14674347055785     -1.29766500508534      1.30259764756138
  H           2.11390826567356     -2.69542661872322     -2.60025102750226
  H           3.77380787160788     -2.09088240970239     -2.28227409916111
  H           2.68632210194629     -1.19934669314438     -3.39716747493768
  H           3.29636569828582      1.15720138097050     -1.79405666119276
  H           4.27937690606112      0.16879517807714     -0.66056025368424
  H           2.93917636715129      1.19540849374933     -0.04430338433393
  C          -1.48316759576382      1.35812647522570      1.58853763362544
  C          -1.16967089734170      0.13938855425249      2.22411442841111
  C          -0.46224424870215      2.29382380960462      1.41910135915436
  C           0.11556376987812     -0.12765257896379      2.68224558251819
  H          -1.95122090296616     -0.60535530815442      2.37926473599289
  C           0.83056324986186      2.04786275686129      1.89468597548616
  H          -0.65978152572055      3.23121524285972      0.89423661604555
  C           1.13379800919540      0.84753838503023      2.52906884482820
  H           1.60492504243758      2.80272974559474      1.74885246036389
  O           2.34880963836239      0.50193410617840      2.99944815387246
  C           3.37644395429583      1.46805098082017      3.00498773609165
  H           3.65869280989039      1.77846289825884      1.98519008941048
  H           3.08861397035760      2.35903439499517      3.58780003419672
  H           4.24467799095401      0.99587590984615      3.48133968927285
  O           0.49591919052104     -1.27672848309035      3.27486415705942
  C          -0.42993926214275     -2.33512259983172      3.35729019955540
  H          -0.78728182042777     -2.64250211790800      2.35927482016093
  H           0.09793131172818     -3.17793821276612      3.82074125763198
  H          -1.29733963116362     -2.07279916916769      3.98636541978207
*

