#
#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          -0.69536877926091     -1.24095373582020      0.33857010089586
  H           0.31959150663882     -1.59040883415441      0.59975844200329
  H          -1.12803596126583     -2.03319883112253     -0.29129722099373
  C          -0.60980649461722      0.06608527815944     -0.41904712968780
  C          -0.92438268246464      1.20139311575083      0.23056901411721
  H          -0.88845060946671      2.17601956097992     -0.26922835081825
  C          -1.30935149497849      1.29576263261974      1.70248265636897
  H          -0.77321250087840      2.12759291034206      2.17489741786004
  H          -2.38668101511752      1.54582324746037      1.78246661567215
  C          -1.13621408963927      0.01021418742696      2.42616940043617
  C          -1.56497228671084     -1.15424065128851      1.61690280100934
  H          -1.55776514273022     -2.10437002673188      2.15996594264681
  H          -2.60158559838390     -0.95110788851704      1.29698176551960
  Au          0.00418127407575      0.05160189428085     -2.39114279589021
  P           0.69792517772321      0.03509173250911     -4.62992962966645
  C          -0.59793501284911      0.52875640326007     -5.81161168209590
  C           2.09049235679716      1.15362426412125     -4.98874051596227
  C           1.26099227391289     -1.59436337837308     -5.21878099672536
  H           0.45051019143319     -2.32925130739443     -5.10582727796879
  H           1.56094541933789     -1.54426662528591     -6.27650366214391
  H           2.11846031520813     -1.92557985751785     -4.61462832887376
  H          -1.45756638947272     -0.15152743761482     -5.72202964864051
  H          -0.21640405730418      0.49762702521634     -6.84346800453510
  H          -0.93545944768658      1.54974991420873     -5.58070730344111
  H           1.80706664057127      2.18698910202564     -4.74058973275684
  H           2.36926856601800      1.09990119969670     -6.05208034020491
  H           2.95681863018034      0.87257963426543     -4.37204703379851
  C          -0.59223925486270     -0.09049997740845      3.71714684347322
  C          -0.41002863782208     -1.36113991541316      4.35759531977806
  C          -0.19780336395537      1.06995742639885      4.45447182063013
  C           0.12303537978911     -1.45780697685930      5.61245265263324
  H          -0.69231497045282     -2.27919880252180      3.84284326059746
  C           0.33024781808841      0.98605611083151      5.71881977337322
  H          -0.31924278517605      2.06083719612759      4.01651337128610
  C           0.50317814964950     -0.28596000538318      6.31579624622606
  H           0.26653185582706     -2.42424507844281      6.09876463232148
  H           0.61352469187190      1.89520404578614      6.24888760480664
  O           1.00626207087393     -0.47200869365919      7.51292428175974
  C           1.43181485107969      0.63365099722055      8.30681392571964
  H           0.58799593721233      1.30356159764449      8.52786539657686
  H           1.81238368546965      0.20428003143089      9.23984755034724
  H           2.23756026333735      1.18666319574510      7.80219499814486
*

