#
#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          -0.87197496103413     -1.02555163482402      0.83208903673800
  H           0.05369532911007     -1.58883325974928      1.04691600722567
  H          -1.50087267892142     -1.70571008673989      0.23757932488291
  C          -0.54497704447985      0.22765078962336      0.04996341451107
  C          -0.57148415564913      1.40696877115862      0.69636550686255
  H          -0.35527071746355      2.34888185617774      0.17967003065269
  C          -0.83984055421654      1.58850132814601      2.18593588990242
  H          -0.10489850040977      2.28054309178126      2.61439919671667
  H          -1.82813062719841      2.07301250861630      2.32178824288293
  C          -0.91908688676436      0.29996790033881      2.91922826589341
  C          -1.63460866128755     -0.74370064675030      2.15047491944180
  H          -1.80846503585675     -1.67006099900457      2.70599103930459
  H          -2.61539406075608     -0.31842906650243      1.87595270101265
  Au         -0.06457963693704      0.07298903696456     -1.95328602718751
  P           0.46951358045301     -0.10390770687563     -4.22843270456865
  C          -0.59417329048588     -1.26125114283867     -5.14947028905518
  C           0.34271277004023      1.46302444099009     -5.14873401397227
  C           2.16458285765437     -0.68657596024777     -4.55541392144162
  H           2.30963564982316     -1.67558481939792     -4.09659113438472
  H           2.34819446607258     -0.75919581608540     -5.63816094475697
  H           2.88699994814508      0.01397953089774     -4.11153145274628
  H          -0.51293382354293     -2.26589148544083     -4.70920195878515
  H          -0.29679094717391     -1.30382698089502     -6.20822598424636
  H          -1.64194712262899     -0.93393692281212     -5.08041939761786
  H          -0.68002421967573      1.85897757083361     -5.06567720245833
  H           0.58662780025340      1.30952942941060     -6.21091422229021
  H           1.03822505354632      2.19957271667370     -4.72034526722511
  C          -0.34647058763033      0.08752584767772      4.18587685116216
  C          -0.42476574382717     -1.18673779948677      4.83649401534704
  C           0.33514745234407      1.13563663062408      4.88285219222533
  C           0.13249707225117     -1.39848820165022      6.06945831573842
  H          -0.93147397303265     -2.02003212395540      4.35040514409042
  C           0.88860194324591      0.93490432719864      6.12108137115376
  H           0.41959990232335      2.12566698897916      4.43477882540450
  C           0.79518274264367     -0.33804129599508      6.72809010932588
  H           0.07606836282241     -2.37067512525644      6.56209306081502
  H           1.40248311023694      1.74586711721248      6.64367987350187
  O           1.31102775110434     -0.59062059152953      7.91275457907809
  H           1.74430254690209      0.19662965273280      8.28367630686636
*

