#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  Au         -0.04065977540725     -1.59067634094582      0.22649639239397
  C           1.20779659672997      0.74235933969797      0.84191728290182
  C           0.02895133173561      0.34560122324482      1.06133297980129
  C           0.41744797732468      2.97645129773652      1.62855264622689
  C           1.71628020012095      2.65267098229370      1.84368907406790
  H           2.00445678243664      2.12199007022289      2.74391862406975
  C          -1.12773981554000      1.03685256438502      1.68010668709677
  H          -1.67537350306393      0.38433856310327      2.36070437911621
  H          -1.81435162760727      1.32559610945183      0.87975903273940
  C          -0.62534334173675      2.30088594938048      2.44621898727765
  P          -0.25066404289239     -3.69738807610693     -0.64907931343658
  C           0.24768843271044     -3.81067523833325     -2.38399324463731
  C           0.73636129382054     -4.94258298659521      0.21486335214469
  H           2.18219175934358      0.66448167467716      0.39536504924370
  C          -1.94956958254182     -4.31529678501205     -0.59900051192811
  H          -2.59759881369160     -3.64439393261940     -1.16575724631874
  H          -1.99378060722451     -5.31752753019247     -1.03153206835238
  H          -2.29426816547118     -4.34919165722596      0.43605397466097
  H          -0.36280690955108     -3.13235047722940     -2.98268807888093
  H           0.11577652306207     -4.83406449946588     -2.74300071028142
  H           1.29584394765559     -3.52215662037957     -2.48103798330773
  H           1.79241617036009     -4.67260496915202      0.15841627292671
  H           0.58476382479529     -5.92218629138651     -0.24459183109302
  H           0.43656859096363     -4.98096608027361      1.26362255903468
  H           2.51207580213304      3.07684925374000      1.24175052069065
  H          -1.48767555702467      2.94028054969360      2.63272158508213
  H          -0.20341390832103      1.98512985597808      3.40052051810051
  C          -0.00087590672595      3.82602758966074      0.48449567056855
  C          -1.10776821171863      4.67042968857522      0.59909413877113
  C           0.71567035309661      3.79302220839047     -0.71170906257835
  C          -1.47199509099377      5.47982441763809     -0.46933168071866
  H          -1.66998021827806      4.71927180566281      1.52317365295882
  C           0.33388037343350      4.59694439792768     -1.77822838279470
  H           1.56254880873884      3.12862807024047     -0.83710629482733
  C          -0.76211636806107      5.44886296418328     -1.66122101410367
  H          -2.32340763351948      6.14486308561791     -0.37382535658973
  H          -1.05425255336613      6.07566335281657     -2.49832120577211
  O           1.06714412381407      4.50641939546138     -2.92410308980631
  H           0.70525001046145      5.11491734513808     -3.58353386444712
*

