#
#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          -2.15061218666004     -0.76788496431067      0.30303436568595
  H          -2.24822903356679     -1.69996828664366     -0.27317879190821
  H          -3.01385324042321     -0.15158417920855     -0.02271748522307
  C          -0.92983043825913     -0.01448432075436     -0.09785727411785
  C          -0.36410447477696      0.61872605063087      1.03188912895198
  H           0.65620826807727      1.00622737235479      1.04100855008937
  C          -1.37362723879692      1.40275597263839      1.93524456760253
  H          -0.87503049540704      2.22773974630466      2.44868890081194
  H          -2.34451054116194      1.64254106909070      1.49468742957342
  C          -1.07212606550039      0.03712867189745      2.32969547082121
  C          -2.07270973634376     -0.99515520722956      1.81922386085041
  H          -1.70439825124946     -2.00971589670635      2.02798331273152
  H          -3.04334883044794     -0.88292450713025      2.32432840289482
  Au         -0.16746671987285      0.05527850244681     -1.98116782207683
  P           0.71363267481374      0.14845150519277     -4.15824089951155
  C          -0.12329282893420      1.36514426669855     -5.21931974204878
  C           2.47413725805888      0.60018062114437     -4.20650939374193
  C           0.59690164052707     -1.42945621940645     -5.05401498922820
  H          -0.45794994087247     -1.72918574585496     -5.13596894946319
  H           1.02659854601516     -1.32904260775810     -6.06206024888794
  H           1.14232573787378     -2.20926516696136     -4.50293347292129
  H          -1.19091087734640      1.11428199949122     -5.29893285701232
  H           0.32636893922655      1.36663845641440     -6.22357129710640
  H          -0.02870285047965      2.36736279760410     -4.77684353606234
  H           2.61290737173530      1.59038701464227     -3.74881463700869
  H           2.83395521407626      0.62600177748306     -5.24601847311087
  H           3.06023667224740     -0.13571008473259     -3.63714913819704
  C          -0.22303096670842     -0.27320498273586      3.52196307251716
  C           0.62364815850778     -1.39005285961335      3.50546203278814
  C          -0.27126352710974      0.51778460097542      4.67241154886466
  C           1.40900601248265     -1.71045602710716      4.61229229815873
  H           0.67455639289474     -2.01231463354756      2.60703724701712
  C           0.51431667974555      0.19915478766756      5.78427560306799
  H          -0.93106246224330      1.38997646049035      4.71430565134906
  C           1.35689301642619     -0.91710324303408      5.75444510010859
  H           2.06526664938292     -2.58342552625973      4.57895359802635
  C           0.44747284401434      1.05429166266074      6.99778472363240
  H           1.96395405701111     -1.14909882123855      6.63310805348913
  O           1.08897505253193      0.85608230817030      8.00181543757982
  H          -0.25353500948800      1.92017550623438      6.92454571101422
*

