#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.11293907593449     -1.64303456340063      0.18304448698482
  C           0.98591152759187      0.57940173990187      1.24374929144687
  C          -0.22332734866357      0.27576082664900      1.06066771493745
  C           0.10235961765754      2.87954854571694      1.79704874827836
  C           1.23752302809385      2.48376681540774      2.42388514245973
  H           1.18100050343274      1.92383674985395      3.35019429858644
  C          -1.47814858503531      1.02996714185048      1.29465187168391
  H          -2.25012830618316      0.40265331767895      1.74138499242326
  H          -1.85284023279079      1.37024495845723      0.32551503934488
  C          -1.17914811309385      2.24781662922349      2.22147721910497
  P          -0.15228121187668     -3.72119777365015     -0.77972424005093
  C           0.49215172562443     -3.74472985692250     -2.46927193829258
  C           0.81409413811915     -4.95642675550232      0.12081649952209
  H           2.04838580738507      0.45081292470391      1.15011145446706
  C          -1.82136777080284     -4.40814479491300     -0.89428533709593
  H          -2.44778922584125     -3.74314090181801     -1.49146527651381
  H          -1.78697992698721     -5.39492953729424     -1.36190206102599
  H          -2.24909765173287     -4.49344765160326      0.10627797036182
  H          -0.09603037987206     -3.06798054056802     -3.09161959710190
  H           0.43506437195088     -4.75728049287606     -2.87566749932010
  H           1.53111733232619     -3.41037454036757     -2.46716857526626
  H           1.85765779543803     -4.63984657658212      0.16568182009587
  H           0.74703389002013     -5.92242141081879     -0.38523652216894
  H           0.42822609622897     -5.04934022647783      1.13754614459728
  H           2.21126513156228      2.86410301957557      2.13735787234262
  H          -2.02656543544891      2.93006546460712      2.16100585255885
  H          -1.09172613508951      1.89118316781534      3.24793705832341
  C           0.11982281840166      3.74013219491828      0.59242804153316
  C          -0.98812051979554      4.51846910427269      0.24283550308825
  C           1.24481359527565      3.79508578464541     -0.23712820829786
  C          -0.97159463122215      5.33656246793318     -0.87499328833964
  H          -1.87843289051111      4.50966621857488      0.85978489595262
  C           1.27149852353420      4.59895254616551     -1.36345311492478
  H           2.11053877078258      3.18129725057207     -0.01667343367183
  C           0.16047791106641      5.37856858556151     -1.68317825857523
  H          -1.83131517615814      5.94599079153962     -1.12969196150781
  H           2.14933134062029      4.61939493660979     -2.00214534208801
  O           0.13088938306379      6.18846977065058     -2.77476185591936
  H           0.97838354886366      6.13203746990923     -3.23872718793273
*

