#
#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          -1.81912206448332     -1.11287851531536      0.93846821252895
  H          -1.72562609112559     -2.08168861651412      0.42570043281026
  H          -2.81169880499035     -0.72936501945675      0.62380627894188
  C          -0.81979840887844     -0.13236905279452      0.42890269597544
  C          -0.37779697371905      0.69460852363946      1.48558500195571
  H           0.52336546034555      1.30675727619839      1.41838235153923
  C          -1.51439755241388      1.29143590987433      2.38338286187702
  H          -1.20203016725827      2.24276602696835      2.81981830944521
  H          -2.52655939891406      1.27162563755831      1.97167421057174
  C          -0.88929625805308      0.06621375011473      2.85159313224088
  C          -1.63356265747962     -1.20630565106233      2.45945375541894
  H          -1.02361408786023     -2.08591549945810      2.71085521974026
  H          -2.58327690289442     -1.28932384538690      3.00812126887637
  Au         -0.16608192853184     -0.02862283386618     -1.49356890807899
  P           0.58026070944057      0.10251753759534     -3.71859038080473
  C          -0.51051859174112      1.09803055761652     -4.77986162412788
  C           2.22737678730154      0.85449209976495     -3.88525241201853
  C           0.70532369402117     -1.51582600305994     -4.53778241352921
  H          -0.28281258321900     -1.99813331811133     -4.55384344843351
  H           1.06881590141571     -1.39608308536061     -5.56946894951189
  H           1.40096783237333     -2.15853835706524     -3.97909800390576
  H          -1.51820589195740      0.65802637484116     -4.78915445358780
  H          -0.11768949193825      1.12945361062132     -5.80722137079739
  H          -0.57631930294405      2.12175195190880     -4.38390629754055
  H           2.20884923953105      1.87560258329668     -3.47764958903691
  H           2.52636565753293      0.88993379688136     -4.94361958984904
  H           2.96185949994266      0.26308863605707     -3.31955851991828
  C           0.03478257602696      0.05593744515474      4.02849108942301
  C           1.17376117994321     -0.76084083467832      4.02098540582736
  C          -0.24110798573998      0.82969427073896      5.16100177603444
  C           2.02338119705373     -0.79682924496773      5.12396691801321
  H           1.40053723067700     -1.36489082418357      3.13723981287402
  C           0.60790622451695      0.79038347997135      6.26761195880521
  H          -1.13306551044643      1.46180858653752      5.18136982938385
  C           1.74126510240092     -0.02117020450258      6.25067094626671
  H           2.91353056419036     -1.43104774701793      5.10453368641975
  H           0.37964904386557      1.39684829026726      7.14790379589852
  H           2.40704093400914     -0.05056938280508      7.11724149027249
*

