#
#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          -2.11842436270539     -0.67297215523058      0.60401567846299
  H          -2.24917774757367     -1.60863657363000      0.04071856626533
  H          -2.98020859401579     -0.04379489891278      0.29954737880016
  C          -0.89701627832526      0.05817341236541      0.16306938089481
  C          -0.30130438953862      0.70748820487718      1.26621286196863
  H           0.72158261625482      1.08761539591085      1.24477332430906
  C          -1.28095772912818      1.50584176458272      2.19100621607061
  H          -0.76304998251180      2.33153830025953      2.68368155451901
  H          -2.26079029108539      1.74816355725807      1.77204319857116
  C          -0.97854983004346      0.14394809497175      2.59237581896355
  C          -1.99842801118203     -0.88696616659306      2.11926856730186
  H          -1.62845761354891     -1.90111782074366      2.32652515532056
  H          -2.95339432680127     -0.76520290429503      2.65143991373701
  Au         -0.17249102230213      0.07304849069284     -1.73684836116648
  P           0.66006287824232      0.09852253211184     -3.93453549468785
  C          -0.35204634613406      1.09175032230065     -5.07310991746500
  C           2.33989800553210      0.78160226745154     -4.06607181960315
  C           0.75517072661729     -1.55281444031443     -4.69028207206087
  H          -0.24878948695464     -1.99986726417910     -4.72878836893340
  H           1.16252492620647     -1.48333162170234     -5.71012385584056
  H           1.40484065975173     -2.19905458135079     -4.08241109421927
  H          -1.37583339986778      0.69166288275403     -5.10199201359018
  H           0.07799868654418      1.06536337521709     -6.08562142669502
  H          -0.38969682135808      2.13289392897880     -4.72134198071423
  H           2.34840390289400      1.81530831997700     -3.69122889541526
  H           2.67644865790111      0.77143488118431     -5.11364298784015
  H           3.03004815688886      0.18041930823984     -3.45648695331993
  C          -0.09792218485639     -0.16346986051039      3.76303556450355
  C           0.74815137665736     -1.28134704039192      3.72394763142551
  C          -0.13414567745320      0.63844891219656      4.90406395511662
  C           1.54645255085286     -1.57969536625701      4.82416376864853
  H           0.78633187349082     -1.90697646597296      2.82819259457020
  C           0.67007542675471      0.33242085691975      6.00927362755272
  H          -0.79263083437275      1.50850195515840      4.96160340069114
  C           1.51403001663911     -0.78142121538269      5.96767226290924
  H           2.20996903918627     -2.44803171303493      4.79668063470352
  O           0.58698034607158      1.14310674106582      7.08256625092357
  H           2.14208966493397     -1.01998255157498      6.83144092006779
  H           1.18326234833924      0.83024847560266      7.77733093525419
*

