#
#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          -1.87093559287169     -1.19814642728604      0.61764897131825
  H          -1.78254853930396     -2.14792848403012      0.07000821653077
  H          -2.85950881586873     -0.79506536205497      0.31455930711884
  C          -0.86423148422141     -0.20315644586914      0.15101773524070
  C          -0.43664856138673      0.59174599526607      1.23677744073122
  H           0.46433015610063      1.20670191869656      1.19822998224268
  C          -1.57731516891859      1.14992103956958      2.15301594747438
  H          -1.27012057837404      2.08495382432435      2.62666427767738
  H          -2.58731805460996      1.14272270687182      1.73560052312217
  C          -0.95296959318793     -0.09026546534828      2.57874486490317
  C          -1.69261674622210     -1.34820954797442      2.13473760727986
  H          -1.08239066873159     -2.23567413393109      2.35563216658291
  H          -2.64488824127052     -1.45357372829253      2.67516710981586
  Au         -0.17693270285420     -0.04127745720182     -1.75597648128324
  P           0.61518932333448      0.16332645011644     -3.95932564512218
  C           0.00972317328174      1.65814659034127     -4.79963270092301
  C           2.42841833384452      0.25547412122541     -4.06327381286065
  C           0.14329295706072     -1.22064066708062     -5.03979213622415
  H          -0.95279297378393     -1.29198391503781     -5.09216948690578
  H           0.54696938661064     -1.06988813869019     -6.05233384796605
  H           0.53796961449545     -2.16082527290106     -4.62793082811422
  H          -1.08847815934377      1.63426490700334     -4.84985956719755
  H           0.41926302531203      1.71515350735116     -5.81933930188653
  H           0.31698358677562      2.54953124742436     -4.23375232771059
  H           2.78697827140984      1.12537859897043     -3.49413950883398
  H           2.74622375905279      0.35065512283540     -5.11243504647516
  H           2.86945119662582     -0.65460106651886     -3.63144394356729
  C          -0.02952853174936     -0.14363655114148      3.75507109586007
  C           1.10179914668516     -0.96663508212971      3.72294976130733
  C          -0.30448810438362      0.59825844976142      4.90954782426877
  C           1.94213670722062     -1.03381089104979      4.83231546249033
  H           1.32959320819994     -1.54738780560104      2.82426133716262
  C           0.52846741751957      0.53817318150069      6.03242709819121
  H          -1.19616669415179      1.23167720199421      4.93988707811119
  C           1.65784814485744     -0.28909022619914      5.97603112930147
  H           2.82999577401452     -1.67116764088014      4.80504120594870
  C           0.22772264053961      1.34461107655340      7.26851745261947
  H           2.32308829873814     -0.34999830776592      6.84276126857350
  H           0.21000196966965      0.70689662771469      8.16564798037444
  H           0.99898871282947      2.11361760171316      7.43460380791288
  H          -0.74360632294449      1.85309340775041      7.19161756291016
*

