#
#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          -2.74575064226027     -1.46511995680839      1.76543099154118
  H          -1.81181307113124     -1.97189570849257      1.48164182786104
  H          -3.51335226339161     -2.25100653485660      1.84444036013357
  C          -3.15452782846383     -0.56551774472204      0.67716954705932
  C          -3.65188055947610      0.23418575744475     -0.11744490186955
  H          -4.29717803279126      0.89335446221731     -0.68590473935380
  C          -2.22626285028505      1.67257504602914      3.50429295329831
  H          -1.61897030161446      2.58203089830551      3.53208808958339
  H          -3.25907778267641      1.75429396300300      3.85605576670116
  C          -1.73218127486968      0.49934021287588      3.08025216706856
  C          -2.60079220858439     -0.74039504692194      3.11569407108392
  H          -2.19542881017183     -1.47423155207475      3.83134238631057
  H          -3.59860919429088     -0.46276981148760      3.48460259607966
  Au         -1.61375911139186     -0.02687461347527     -0.94667005228011
  P           0.23067275377685      0.05754119772135     -2.34735079493383
  C          -0.20282686936661     -0.42585303632523     -4.04318913767163
  C           0.94540384668057      1.71994525205747     -2.47858824704776
  C           1.59107634114498     -1.03928209035323     -1.85996267760097
  H           1.22713362871877     -2.07355393343675     -1.78282115085846
  H           2.38837829111758     -0.98629716981070     -2.61647525338833
  H           1.98968062505081     -0.72571973840578     -0.88576031002899
  H          -0.59044441323204     -1.45467061088154     -4.04666902777306
  H           0.68826816449883     -0.36956415869184     -4.68633382915892
  H          -0.97831978492355      0.24817939575295     -4.43433233372943
  H           0.19341266553864      2.41302477691477     -2.88233578491895
  H           1.82141330758661      1.70157094639691     -3.14429576017317
  H           1.24820984948624      2.06868063477843     -1.48139272351145
  C          -0.34973993811517      0.37153051272299      2.54157377340846
  C           0.38645260642027     -0.81794419140101      2.65975721755952
  C           0.27707696378559      1.43774749934738      1.87522277592003
  C           1.67195549683371     -0.94579790339315      2.14759607480461
  H          -0.04753833945373     -1.67986828478273      3.17455900152729
  C           1.56418265261179      1.33613155369945      1.36436078057312
  H          -0.26384816278437      2.37857536268638      1.73867914075013
  C           2.29723242624091      0.13161982278483      1.47892050857632
  H           2.19413768748568     -1.89719750633372      2.26039307387233
  H           2.00543561581704      2.20009222008765      0.86462619001951
  N           3.54201275415064      0.00284027558389      0.93196018183787
  C           4.18522303824603      1.03604858094772      0.13159656772277
  C           4.35956525955037     -1.19596926105274      1.06241179432647
  H           3.49063357931861      1.44694878703197     -0.61993452023897
  H           4.52323457309177      1.88010126332981      0.76268112133362
  C           5.36267766019908      0.30558364592435     -0.51226021003165
  H           4.41336151004999     -1.53110592622145      2.11115258912795
  H           3.93651437322668     -2.03179041747908      0.47130976664454
  C           5.72148310593477     -0.75935119050945      0.52395383854715
  H           5.03497988857733     -0.17327323348875     -1.44942358542038
  H           6.19494349760709      0.98156552880525     -0.75337122363757
  H           6.31696805226732     -0.31066902353506      1.33525911561245
  H           6.29672819425981     -1.59857206150779      0.10859713474212
*

