#
#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          -1.21809123227839     -1.14347352883317      2.79665425811506
  H          -0.52944348641720     -1.66681453309469      2.11607138535556
  H          -1.73365793247896     -1.92501328191072      3.37627690225057
  C          -2.24355858587247     -0.44030847403535      2.01109830375761
  C          -3.18901567164577      0.19554992681703      1.54167561876290
  H          -4.11541600622710      0.72798947888860      1.35954051559409
  C          -0.11933444578467      2.23067753787193      3.37643471773565
  H           0.36585473834524      3.08996396256540      2.90511801813747
  H          -0.86666163711292      2.44050859520536      4.14707888297638
  C           0.19913307758085      0.96958642941406      3.05708895768602
  C          -0.45771822725722     -0.20288261763567      3.74758131999049
  H           0.29140912257886     -0.81057659820732      4.27959415258931
  H          -1.15083786221579      0.17973234131854      4.50996295283469
  Au         -1.88561395429804     -0.06182379872735     -0.22758863875904
  P          -1.06747339464519     -0.09338557069319     -2.39625472608546
  C          -2.29022238570837     -0.76459331412120     -3.55771117023860
  C          -0.62718728112983      1.54836526962736     -3.02796805522539
  C           0.41632179534657     -1.11789998960863     -2.59232378328570
  H           0.23827980155430     -2.12393326265515     -2.18722695369476
  H           0.67133046134128     -1.19203693985977     -3.66019545242338
  H           1.25955688099024     -0.65567787955498     -2.06199953888608
  H          -2.53949133587434     -1.79779106010359     -3.27620443844879
  H          -1.87698556667595     -0.75377321129612     -4.57749317383908
  H          -3.20575660217152     -0.15649946157555     -3.52905094228464
  H          -1.50864281118357      2.20471726963946     -3.00107956526798
  H          -0.26549681880701      1.46317572821893     -4.06376850798105
  H           0.16485778161742      1.98254300867521     -2.40270278488922
  C           1.20257738456673      0.68438313524617      1.99076846601014
  C           2.06197693868976     -0.41790720229897      2.09378358110243
  C           1.28634794454976      1.51561822735801      0.86394780326560
  C           2.99937515600235     -0.66016413169614      1.10460040901750
  H           2.03229918005472     -1.09907548692861      2.94583952833005
  C           2.22049496581339      1.25166635904635     -0.12023401976734
  H           0.62163949962111      2.37125890008478      0.73266668827966
  C           3.09355504613445      0.16585952351200     -0.01775749304092
  N           4.06067353600863     -0.11673067100818     -1.06970103779485
  O           5.17941998119159     -0.42356258304983     -0.73131714234273
  O           3.67940007742578     -0.02767512945801     -2.21687382408543
  F           2.29406316035112      2.04980315276012     -1.17715975881449
  F           3.79701175711031     -1.71107342727750      1.20949681170944
*

