#
#Opt
#
! optts 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
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.48979568768865      1.86916007362406     -0.12238010906892
  H          -2.36862255471616      1.42890262155569     -0.61209571309219
  H          -1.47854831300226      2.93308592058579     -0.42595402381331
  C          -0.18407556135216      1.24545014975413     -0.58127834319798
  C           0.86734674797696      1.51025945535815      0.22316964593370
  H           1.85842059789903      1.06021904129340      0.11205311030788
  C           0.70017239689254      2.48636307833479      1.40513282624841
  H           1.63581359084328      2.62077304712931      1.95226526360981
  H           0.31341208183537      3.45566131757602      1.05374470960571
  C          -0.33019837348498      1.70095216631434      2.08788560100290
  C          -1.64683855447781      1.73225610078229      1.40018994472569
  H          -2.26394707961758      0.86227550825051      1.65223195379478
  H          -2.16798838506803      2.61011286491583      1.83097935310085
  Au         -0.04495718308261      0.15047879964950     -2.31918295886218
  P           0.11520713201453     -1.08834224302952     -4.30104566654982
  C           1.62748624670238     -0.75094793708751     -5.25778240600182
  C           0.12089566645720     -2.89217558783130     -4.05104046638209
  C          -1.24709547642841     -0.78765334662568     -5.47132374327154
  H          -1.27081740136779      0.27786459331294     -5.74278530431093
  H          -1.11609085845971     -1.39107205128888     -6.38226549952201
  H          -2.20459683852207     -1.04904557024616     -4.99759526335932
  H           1.66454856522571      0.31530592346656     -5.52480563393272
  H           1.64717970797146     -1.35613253979161     -6.17681656391810
  H           2.51075698598089     -0.98938976928311     -4.64736521532358
  H           0.97405194757260     -3.17308761890973     -3.41633544323007
  H           0.19805115921878     -3.41630881153435     -5.01569712390687
  H          -0.80658718162887     -3.19814207162085     -3.54534200575970
  C          -0.08253754323905      0.94226836947701      3.27848720201850
  C          -0.98974090834674     -0.05142705119011      3.72755812677383
  C           1.06705556956805      1.18753917965654      4.07042855610827
  C          -0.76300152718981     -0.74888061333215      4.89707676770515
  H          -1.87436995776416     -0.29669805021232      3.13913010771884
  C           1.28341024907637      0.49171047259217      5.24386520063051
  H           1.78730873929903      1.95133247867711      3.77585558759786
  C           0.37640266303884     -0.48998419946069      5.68477450448407
  H          -1.48256097229213     -1.51221035067201      5.20212020478932
  H           2.16953305025727      0.70939446700602      5.84460289247535
  C           0.64704889816473     -1.20992386964329      6.94939324147758
  C          -0.48629389395751     -1.62537414419035      7.86561121780112
  C           0.26525278477593     -2.66663842734023      7.11557085243477
  H           1.57105242394135     -0.89762168834239      7.44256240324995
  H          -1.50453912261116     -1.38444244328293      7.54641655841588
  H          -0.30846477677042     -1.52058140118325      8.93892990271003
  H           0.97242188232635     -3.29665877872163      7.66102480382339
  H          -0.22609560597059     -3.15692074449210      6.27013547495899
*

