#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.05207770552041     -2.03842258134641      0.21055228863182
  C           1.28148311441562      0.19013606643163      1.06657861086689
  C           0.07254254327748     -0.16835275621257      1.17493356390563
  C           0.56079879615299      2.38919319023805      1.93376201371289
  C           1.82008941437911      1.97064387229484      2.21683179259549
  H           2.00716829370233      1.37928834396879      3.10540821755108
  C          -1.08696753561529      0.54584470195328      1.76231071847401
  H          -1.71063102315742     -0.11419351802745      2.36575475423507
  H          -1.70434824017208      0.91807264335295      0.94027653826992
  C          -0.57427355247251      1.73482249416400      2.63585276447178
  P          -0.31162084720540     -4.06865245604678     -0.82057568718209
  C           0.62513885532307     -4.21839038154763     -2.36039711852450
  C           0.21162977226355     -5.46891534829005      0.19741977442561
  H           2.27453835930663      0.08169364732823      0.66896510217640
  C          -2.02794446633290     -4.41972745894251     -1.26972842657605
  H          -2.39225618050376     -3.64562216230964     -1.94744819569848
  H          -2.09245157296121     -5.39385750838013     -1.76007744634020
  H          -2.64646326266772     -4.42245758204833     -0.37042532710766
  H           0.30220117343541     -3.44421724341812     -3.05878200152782
  H           0.45798653136498     -5.20290322664355     -2.80371741403899
  H           1.68879274430525     -4.08718908996490     -2.15371147915792
  H           1.26889870697658     -5.36268682360985      0.44688545391422
  H           0.05723533637704     -6.40336616333137     -0.34722506906330
  H          -0.36988056398444     -5.48449113544542      1.12094502241465
  H           2.68337337354370      2.37611638748675      1.70149704390941
  H          -1.41165504968495      2.41086224101888      2.80538526060002
  H          -0.23686245575674      1.34304544691996      3.59516244433919
  C           0.28012915138271      3.32278879088258      0.81357794072457
  C          -0.82317235095630      4.17457146743047      0.87217217733134
  C           1.11783161662121      3.35587730663735     -0.30405643337648
  C          -1.06159374665255      5.05074664732865     -0.16729562388951
  H          -1.49340146248223      4.19220508907369      1.72167753819717
  C           0.84653889831388      4.23364168109278     -1.33012394798723
  H           1.96768736396372      2.69251783349208     -0.40259954749253
  C          -0.23912372757966      5.09416563580217     -1.27920602075338
  F          -2.11104615695819      5.88735574379738     -0.11973208366494
  F          -0.48772154399963      5.94016888964837     -2.28328150179607
  F           1.63131102955810      4.26760253522185     -2.41943762657003
*

