#
#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          -2.44031549458779     -1.20637964922750     -0.91724599022827
  H          -2.15431701350085     -2.11691493707484     -1.46061113336243
  H          -3.39964426738739     -0.87986564791620     -1.36770611194918
  C          -1.46983859398749     -0.08292740382592     -1.12246512649181
  C          -1.49923590672577      0.80314920138735     -0.04506168768979
  H          -0.72419472332961      1.55333621162971      0.12470117113761
  C          -2.83633531951792      1.05178560512980      0.70758479077002
  H          -2.80258902746383      1.99278260732570      1.26032373003140
  H          -3.74291156626720      0.88890124455745      0.11802521116237
  C          -2.11963452637387     -0.08916976082177      1.22676575537616
  C          -2.52423859107136     -1.41649194581689      0.59897078878069
  H          -1.82501948976485     -2.20744061547562      0.90293761189930
  H          -3.52653169820262     -1.70794816152349      0.94876720947236
  Au         -0.18872026980685      0.05585698297933     -2.70357293061737
  P           1.28234971408003      0.19542398415733     -4.52887586350502
  C           0.72243491083920      1.34745362939675     -5.82027775422516
  C           2.94926987177728      0.76165051461202     -4.07164673595078
  C           1.53782208945265     -1.39119077561620     -5.38075967016496
  H           0.57730929394403     -1.76392602581512     -5.76528924097258
  H           2.24168391139498     -1.26744437379582     -6.21753199711155
  H           1.94227446124052     -2.12851820104872     -4.67212255338026
  H          -0.25250622800668      1.01849622020766     -6.20833666021867
  H           1.44943591997823      1.38222622164031     -6.64569474952596
  H           0.60989551808097      2.35419587349212     -5.39243439708650
  H           2.88739322647260      1.75955214868621     -3.61372917702172
  H           3.59502236268888      0.80817367808434     -4.96142523025537
  H           3.38653720160354      0.06572302868151     -3.34098448418334
  C          -1.37318389285478     -0.04644465958479      2.50707040135324
  C          -0.25894290696472     -0.87626891664446      2.71581816864750
  C          -1.74560354430670      0.80941775205126      3.55414617902409
  C           0.45559192980380     -0.85513546195674      3.90185799501855
  H           0.07460013304878     -1.54500340257561      1.91651787786830
  C          -1.05013520087541      0.83990419175784      4.75433121369100
  H          -2.61872078746755      1.45797807174955      3.44134171660750
  C           0.07839513052455      0.00881128846371      4.96252864429792
  H           1.32542549401448     -1.50491552154919      4.00824996763953
  H          -1.39141193599155      1.50807920180835      5.54631215000000
  N           0.77372967935149      0.03726398289042      6.13010754190090
  C           0.50236208647997      0.97624921692625      7.21187587016434
  C           1.88817141310295     -0.85351409625111      6.43031829913384
  H           0.38765132751245      2.00270368892620      6.82745013846257
  H          -0.43438799182507      0.71466728880269      7.73966306737831
  C           1.71945322258378      0.83187236317871      8.12447680049611
  H           1.63258157514616     -1.90172172244896      6.20544278828615
  H           2.77741058896030     -0.59342978370008      5.82500905953760
  C           2.13788346178673     -0.62408925159286      7.92003929655802
  H           2.52138975065026      1.50833128372082      7.78711921391983
  H           1.48995001009268      1.07842030947437      9.17066997330190
  H           1.49183140542554     -1.28974658969348      8.51506023212555
  H           3.18021021624299     -0.82536067776239      8.20465282989798
*

