#
#Lower level of theory opt
#
! opt freq wb97x-d3bj def2-svp 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          -1.15662241620454     -0.93603682106017      0.87326279195336
  H          -0.28541607347254     -1.55813751760073      1.10591409900802
  H          -1.82028349633875     -1.55224127445028      0.26231675295321
  C          -0.72201392655138      0.29293278317330      0.11420217563470 newgto "def2-tzvp(-f)" end
  C          -0.72681230200829      1.47446890712904      0.73551784648255 newgto "def2-tzvp(-f)" end
  H          -0.42215427010058      2.38610579593188      0.22864827942461
  C          -1.09745899785580      1.70063335088095      2.20735114283555 newgto "def2-tzvp(-f)" end
  H          -0.41051258381004      2.41926062619247      2.64593895575497
  H          -2.10624496515355      2.13061302116628      2.26264001995081
  C          -1.13126588236435      0.40241889009180      2.91888315828114 newgto "def2-tzvp(-f)" end
  C          -1.92543623635957     -0.60230081745544      2.18367190242691
  H          -2.13786317764621     -1.50650256444120      2.74602800194586
  H          -2.86968033794636     -0.13259278682417      1.89479214655859
  Au         -0.12446816986528      0.08629330198009     -1.85094444042150
  P           0.53743042097489     -0.13788775903910     -4.05150157958465
  C          -0.41978117329345     -1.35468150040364     -4.99510806910151
  C           0.40552430465134      1.38849094498681     -5.02092864423219
  C           2.26086500083365     -0.65861769524573     -4.26522040741667
  H           2.41090482077164     -1.62583954264375     -3.78152525572405
  H           2.50421897833685     -0.74168890081424     -5.32717579073696
  H           2.92234810742848      0.07290922574517     -3.79696097631747
  H          -0.32358404322528     -2.33564328122289     -4.52556770302922
  H          -0.05847142634035     -1.40760284595895     -6.02490792666555
  H          -1.47329894199905     -1.06827108293837     -4.99380076337788
  H          -0.63120427087126      1.73080668924063     -5.01963099740104
  H           0.73012839266875      1.21579350956923     -6.04985325422968
  H           1.02952441759722      2.16147968953704     -4.56801533254100
  C          -0.41043765375706      0.12597092665227      4.08604041788778
  C          -0.39269158355133     -1.18636167945406      4.64646422202312
  C           0.33986501344679      1.13637927619737      4.75588653099273
  C           0.32528974191908     -1.47259951409292      5.77121536168208
  H          -0.94519023870056     -1.98523212665536      4.17244908252619
  C           1.05107342109507      0.86237861846174      5.88976886202098
  H           0.34600824174127      2.14952968657571      4.37937702553894
  C           1.05249760404845     -0.44747007329339      6.40227928966483
  H           0.34713306258837     -2.47040376957846      6.19185367018236
  H           1.61397210035869      1.63736209239016      6.39870307554466
  O           1.73202690401736     -0.77298704173660      7.49745442127415
  H           2.19901674493768      0.00204912900749      7.85167160823123
*

