#
#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          -2.73980135690433     -1.26512223652415     -1.34598000066880
  H          -2.08883084119720     -1.75601150173105     -0.60650091875561
  H          -3.33614744536953     -2.06372729427985     -1.81453988953177
  C          -1.91501380039324     -0.67215725257264     -2.40865762522191
  C          -1.40378525876721     -0.14249758824951     -3.39717949891660
  H          -1.17928861764565      0.26981294169619     -4.37413952055771
  C          -3.15858371365835      2.17658628671408     -0.48105744401893
  H          -2.68328240720841      3.04516446647791     -0.01694575987690
  H          -3.83847800486066      2.37067562736139     -1.31581013254989
  C          -2.95433842465587      0.92767872355177     -0.03881235886681
  C          -3.67162067684578     -0.23781175760949     -0.68147332903980
  H          -4.27346928272325     -0.77988579099133      0.06466113631928
  H          -4.37651959311453      0.14690189823408     -1.43199385351340
  Au          0.26484424060111     -0.12212191989323     -1.94610502729422
  P           2.33449185930039      0.06607946361555     -0.92157083510242
  C           3.68305196040579     -0.46809721713244     -2.01226737163541
  C           2.74991908296789      1.75712988105079     -0.41426777776397
  C           2.45794815132481     -0.96065283815441      0.56825628277983
  H           2.29523630520000     -2.01528318932895      0.30419618953191
  H           3.45262469789294     -0.84488928508425      1.02401881069299
  H           1.69052898808179     -0.65347162074146      1.29069033907311
  H           3.52772630877464     -1.51651813240268     -2.30443383388474
  H           4.64575952073379     -0.37423179255255     -1.48774249932530
  H           3.69792352782688      0.15549218096456     -2.91761904929898
  H           2.75449019486175      2.41499437372954     -1.29500377766883
  H           3.74326667941412      1.77075478651903      0.05871355841458
  H           2.00094890045547      2.12369767238084      0.30143256216983
  C          -2.01335236862494      0.64821862378414      1.08714581035910
  C          -2.21554460907303     -0.44000860839845      1.94924027773799
  C          -0.90023303575422      1.47476767693205      1.31595108681062
  C          -1.35177125317024     -0.68566331069008      3.01328988458621
  H          -3.06960839764034     -1.10540018115496      1.80575767205672
  C          -0.03908492267573      1.24102290006509      2.38148106579490
  H          -0.69889052774701      2.31207247280132      0.64367305720622
  C          -0.26401959899602      0.15761595510732      3.23303286511452
  H          -1.53419663441262     -1.53391033991276      3.67646170045602
  H           0.81598246755757      1.90074041746707      2.54658880314725
  C           0.71306924441426     -0.13548797907926      4.33815502678714
  F           1.74492361559727     -0.88222042019992      3.90174695845833
  F           0.15219581584421     -0.81105288350877      5.34675858727303
  F           1.24297781018345      0.98213675173947      4.85035310872240
*

