#
#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          -2.92469610738645     -0.97747213875650     -0.11599802648652
  H          -2.12148626495737     -1.56365390270572      0.35517618403490
  H          -3.67943030401607     -1.70250110128945     -0.45843729788372
  C          -2.39943012294077     -0.30383801101773     -1.31287788920882
  C          -2.16305477573084      0.32714376974962     -2.34457059017448
  H          -2.20013075194354      0.85943525728103     -3.28785342784013
  C          -2.96066523309855      2.40064056794112      1.15012814841385
  H          -2.31901763839708      3.21624085512404      1.49587936181441
  H          -3.89912696921974      2.67779229230199      0.66104197842317
  C          -2.63580053292761      1.11436570663062      1.33422331516506
  C          -3.55900345814678      0.00517264840606      0.88401922085956
  H          -3.90009489291346     -0.58691200118442      1.74849071626341
  H          -4.45796750967814      0.45112519397821      0.43547028886443
  Au         -0.12621663214566     -0.05006244673769     -1.56613068871913
  P           2.18487339837196     -0.18466713641918     -1.43186015263845
  C           2.88275717751262     -0.88740451098316     -2.95341716226013
  C           2.98743050656373      1.42655622918956     -1.21201051219736
  C           2.79532468425235     -1.23788200045526     -0.08596949852471
  H           2.32393281802644     -2.22909997186352     -0.14134102322478
  H           3.88679720338594     -1.34554731945979     -0.17440505985423
  H           2.56071508939847     -0.78235829320108      0.88478693226920
  H           2.48665299392644     -1.90147447334250     -3.10708251326573
  H           3.97935067168978     -0.93153725995295     -2.87424205772019
  H           2.60438140483067     -0.26217701901460     -3.81378503127724
  H           2.70822946645409      2.09563441909749     -2.03834044315406
  H           4.08029572198961      1.29947201030277     -1.19658629969724
  H           2.65942865977973      1.87045106890652     -0.26231913928519
  C          -1.33989577925801      0.72518495333561      1.96446879694248
  C          -1.25406999777776     -0.41442916545847      2.77679735655253
  C          -0.18262852608208      1.48255486840473      1.73054327841932
  C          -0.04106698337573     -0.77397822564998      3.34183490826868
  H          -2.12303935323651     -1.03764379256879      2.99608504869187
  C           1.01516467834515      1.10585812610192      2.31412281674004
  H          -0.19361935525408      2.36232412573030      1.08399659330774
  C           1.10837253393822     -0.02401316306447      3.11912920197975
  F           2.12955500875942      1.80300760111954      2.08431368498882
  F           2.27630571399164     -0.39488477483203      3.63219222237239
  F           0.05041516726996     -1.85595443564384      4.11139253904048
*

