#
#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          -0.58254566565107     -1.23065763826488      2.77491994527229
  H           0.02616233249587     -1.75443734779037      2.02257870399598
  H          -1.04505171953924     -2.01155600759372      3.39876750712490
  C          -1.67686936341492     -0.51345283447570      2.10469382742442
  C          -2.65899753782956      0.13215349608514      1.73390296924954
  H          -3.60529049046876      0.65222097577087      1.64110572441578
  C           0.61413660788706      2.11990683507343      3.28910559702579
  H           1.06868430571139      2.98723711730090      2.80222644056064
  H          -0.06812930565041      2.31874684686530      4.12082145924336
  C           0.89365590756301      0.86354303238349      2.91394688529542
  C           0.28118856592783     -0.30695669698934      3.65085768567218
  H           1.06669687887353     -0.93224486616784      4.10427839435092
  H          -0.32961291269505      0.07678327938428      4.48035784496592
  Au         -1.48213019106339     -0.04240444181247     -0.13223715725884
  P          -0.77920115820950      0.00190740847754     -2.33910709120790
  C          -2.09463509584131     -0.51756937230076     -3.47669229746693
  C          -0.25244998352200      1.64240094084728     -2.90405961898585
  C           0.61546628853332     -1.11590213377932     -2.64903872105903
  H           0.32610989175494     -2.14635731142049     -2.39831523069670
  H           0.90678014773111     -1.06407043462706     -3.70873512601394
  H           1.46908513571004     -0.82351085253071     -2.02153528400613
  H          -2.41284525491771     -1.54043109989102     -3.22952655499157
  H          -1.72396727699973     -0.49041243914874     -4.51235686082712
  H          -2.95726285819841      0.15725666846957     -3.38050138348426
  H          -1.08133207289033      2.35594243993314     -2.79321205429922
  H           0.05104315765412      1.59400660944571     -3.96052740372227
  H           0.59627666688081      1.98542332720734     -2.29626626859548
  C           1.80034637186504      0.58223826922691      1.76151379379116
  C           2.59281960560550     -0.57561133395816      1.72228650934137
  C           1.88512131089682      1.47408425421154      0.67859073603310
  C           3.44831733372880     -0.82889655735085      0.65488896695425
  H           2.55797350620819     -1.29352315916754      2.54493063224709
  C           2.74465287724209      1.23452309063898     -0.38638730533983
  H           1.25923226265962      2.36994727723594      0.66429077190602
  C           3.53698537252039      0.07579102974262     -0.41284144558643
  H           4.05686526310220     -1.73608747007475      0.64767348132045
  H           2.80034382645991      1.94438303543519     -1.21507801844328
  C           4.40291339543814     -0.19103420820930     -1.53217750033798
  C           5.12491937064766     -0.41704284336307     -2.47859902662133
  H           5.77099962379397     -0.61866306481911     -3.31822225724652
*

