#
#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          -0.31483646445567     -1.38793265904095      0.00582231010572
  H           0.74210951889180     -1.25908283689741      0.30172889057425
  H          -0.34073942899736     -2.31154832750033     -0.59332782603085
  C          -0.75897105773475     -0.19954070550347     -0.82266861660268
  C          -1.56639097847141      0.71407979714371     -0.25163463350856
  H          -1.92172230927996      1.58648004469769     -0.81258212627171
  C          -2.03748811219055      0.69260675011774      1.19663685395741
  H          -1.94957606696939      1.69786272208411      1.62703048549402
  H          -3.11673544448965      0.44423626649022      1.22922998676149
  C          -1.33381207565933     -0.34396984882900      2.00526198167726
  C          -1.18201230673685     -1.62396286670803      1.26245357197776
  H          -0.77010324105156     -2.43917654797252      1.86662458516742
  H          -2.18869570979062     -1.92634576317846      0.92648113240330
  Au         -0.07899760731040     -0.01145173027352     -2.76397006748503
  P           0.70125368166935      0.21164297592549     -4.96375874935793
  C          -0.24321254524766     -0.74430308517602     -6.19410164005127
  C           0.67007985431733      1.92081788700751     -5.59424773347388
  C           2.42655348892678     -0.32668276428104     -5.19632366835828
  H           2.52401444659550     -1.38589696932684     -4.91632298321495
  H           2.73598928265359     -0.19903339852170     -6.24474147119117
  H           3.08712029717534      0.26830283939152     -4.54871644540900
  H          -0.21326188296404     -1.81226755189286     -5.93261294320096
  H           0.17777179376856     -0.60605085803532     -7.20155351396483
  H          -1.29236530116969     -0.41425134168531     -6.19065610585381
  H          -0.36033495772046      2.30467790134101     -5.56871928698060
  H           1.04651677877039      1.96141316186053     -6.62764111453791
  H           1.29628644398286      2.56050109063459     -4.95510858368243
  C          -0.83269104447132     -0.12288196645859      3.28103507668386
  C          -0.15341090533177     -1.15561795225691      4.01957824645339
  C          -0.96180902927851      1.14176836347186      3.95351697299725
  C           0.35831360291542     -0.93271388383932      5.25231314966501
  H          -0.04688089278077     -2.16526970184588      3.62161347370090
  C          -0.45753969102248      1.36046178770640      5.19921810917450
  H          -1.46857192134867      1.97062378139471      3.45905580738416
  C           0.26691806497270      0.34685068627053      5.91993024506561
  H          -0.56895068353374      2.34740094816066      5.64446907580546
  N           0.79249792527542      0.59712107939582      7.11375976822288
  C           1.76509243483939     -0.26819868261817      7.78333840387053
  C           0.46735785961660      1.83087569417569      7.82499533284563
  H           2.38742914374319      0.36516341321363      8.42658171062640
  H           1.26408523883636     -1.02346876004366      8.40680338354843
  H           2.41747622393102     -0.76228341956657      7.05841902298469
  H           0.68194425762329      1.68041972528633      8.88900480809892
  H           1.07276691043031      2.67465696127376      7.45780179194626
  H          -0.59766943598698      2.07307968121784      7.72545544345810
  F           0.92220071326915     -1.96193393314292      5.89972133252213
*

