#
#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          -0.47699905730637     -1.25208636647196      2.78879760167997
  H           0.10407878608952     -1.77615902407004      2.01492380601931
  H          -0.88424984983958     -2.03063815296824      3.45287222445650
  C          -1.62604449750804     -0.57851180124703      2.16669389292583
  C          -2.64960388382229      0.02617551095143      1.84167477270421
  H          -3.62122223828561      0.50355374883694      1.78997423661399
  C           0.63847260067782      2.13256821720100      3.13036114931282
  H           1.04909048036610      2.99615410210514      2.60012931885601
  H          -0.03390067326506      2.33974125279522      3.96796190555146
  C           0.95965736999182      0.87253406485456      2.80438336565654
  C           0.40430000248430     -0.28735282679827      3.60044851767341
  H           1.22029258245237     -0.88224072930675      4.04008999374454
  H          -0.18016830162006      0.10982132738343      4.44232757877499
  Au         -1.53026749255294     -0.06170421434768     -0.06513264263041
  P          -0.90186381737228      0.04045781550701     -2.29280935935022
  C          -2.25608550594573     -0.44769431686503     -3.39796902935655
  C          -0.38970764817946      1.69295496134271     -2.83606500374456
  C           0.47882282793424     -1.07252312115909     -2.67407558018334
  H           0.19246481564548     -2.10842464505279     -2.44313193863911
  H           0.73943595416647     -0.99265104992896     -3.73997633930528
  H           1.35126445632038     -0.80064083171229     -2.06356651499566
  H          -2.57265864153682     -1.47392584821424     -3.16312379295014
  H          -1.91844221097113     -0.39962248754623     -4.44412279711747
  H          -3.11035566065832      0.23021330399130     -3.25882075280325
  H          -1.21375398785049      2.40452196650112     -2.68401914190282
  H          -0.11884447354183      1.66796749674153     -3.90217356516994
  H           0.47766121735293      2.02232812929264     -2.24736413263628
  C           1.85970295194434      0.57848868472214      1.64962651066227
  C           2.66822679259986     -0.56921694993193      1.63384489819276
  C           1.91909315118832      1.44767757052092      0.54597929754765
  C           3.52005158352207     -0.83630988076675      0.56789386343981
  H           2.64951360933282     -1.26715287012672      2.47324131111654
  C           2.77326419699011      1.19955678710260     -0.51990198675394
  H           1.27919167040169      2.33256035157571      0.51627166443378
  C           3.57790290846707      0.05140380485937     -0.51302598722835
  H           4.14310880994940     -1.73301497980529      0.57379213845247
  H           2.81249082497526      1.88747446087321     -1.36717926673852
  C           4.44099395047771     -0.22577240643807     -1.63148927994926
  N           5.12742041692593     -0.44873816440062     -2.53614771635976
*

