#
#Opt
#
! optts 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
%scf guess moread
moinp "preTSEG8.gbw" end
%geom inhess read
inhessname "preTSEG8.hess"
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.12370207593058     -1.80601047276265      0.14112841761537
  C           0.94962433027609      0.37813133778291      1.35339623821865
  C          -0.25067750948757      0.05396337549185      1.12812889259499
  C           0.04702269593582      2.59444825520906      2.04504176107860
  C           1.17805590624805      2.15344350595681      2.64999052843996
  H           1.11493313610294      1.53821142124230      3.54009105140806
  C          -1.51537297366289      0.78186834228556      1.39232086672683
  H          -2.29016494865270      0.12366575805627      1.78641289323854
  H          -1.87782843776327      1.18211562958991      0.44163104260738
  C          -1.24210230636477      1.94242015172631      2.40018656920847
  P          -0.12129849987748     -3.82374707426510     -0.94420611886784
  C           0.58577143069675     -3.74631506853623     -2.60715057937824
  C           0.81713709636885     -5.10797295175460     -0.08314883148590
  H           2.01271585039202      0.26046102928267      1.24755382763493
  C          -1.78101122596947     -4.50875093438152     -1.16092719102442
  H          -2.38853868981022     -3.81284949822498     -1.74222657740879
  H          -1.72355297964891     -5.46685349330083     -1.68282790944562
  H          -2.24559629325539     -4.65314816177343     -0.18386285428536
  H           0.01932773512622     -3.03434540981438     -3.21002439474824
  H           0.54705277057585     -4.73308762641980     -3.07463479091608
  H           1.62297381486957     -3.41189069890151     -2.54615725722900
  H           1.85641206526443     -4.79131277406480      0.02124303900506
  H           0.77508510600078     -6.04208138098995     -0.64829395269696
  H           0.39303797296711     -5.26325875574931      0.91052145124871
  H           2.15165837209006      2.55630176532102      2.39467008497173
  H          -2.08694917357907      2.62919602783460      2.35438658960010
  H          -1.18053988277470      1.52414499754410      3.40488633434004
  C           0.08707670138679      3.55120753194096      0.91178824467567
  C          -0.97042843716713      4.43579701785986      0.69078189433563
  C           1.18230299908517      3.58551263138054      0.04309424940227
  C          -0.93038949264478      5.34161919531714     -0.35752931249834
  H          -1.82773791062100      4.43922028474617      1.35242245845940
  C           1.22332878814239      4.47908316630728     -1.01227076337122
  H           2.00299984019203      2.89102397757572      0.17790809258419
  C           0.16594020168113      5.36916081369050     -1.22023044481532
  H          -1.75205064547493      6.03135513778534     -0.51109417833760
  H           2.07290436269903      4.48878310002693     -1.68513171900247
  C           0.20483496349370      6.30303890512781     -2.31516315477249
  C           0.23351008235406      7.08647958447070     -3.22474165258697
  H           0.25981935073603      7.78257922738661     -4.03628360452369
*

