#
#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
  C          -0.08205521319715      3.03848675928538      1.44413787781902
  H          -0.00364271195527      2.05375838647835      1.90744262003357
  H          -0.58111982216213      3.69496648018803      2.16052957041700
  C          -0.93308831647632      2.93273862922713      0.25015977126745
  C          -1.58308164421784      2.97526682035349     -0.78165145715947
  H          -2.14322155625611      3.22867730574152     -1.66065234812091
  C           2.33743676528711      3.63241863490904     -1.14651379460791
  H           2.83502539476744      3.18053053334194     -1.99784234107691
  H           2.18023368188218      4.70588784068239     -1.17511772862939
  C           1.95005895226723      2.91452235588984     -0.09256320781673
  C           1.31016767191956      3.59340740933669      1.09462877167200
  H           1.93611771316856      3.48252721398928      1.98426228750391
  H           1.22979382944391      4.66081054390913      0.88483720319494
  Au         -1.46110524212852      0.78078690835230     -0.33558631954099
  P          -1.77140921070903     -1.47582869836533     -0.17918552406186
  C          -3.51744569795514     -1.93072078617437     -0.26676617152412
  C          -0.95338267343094     -2.45768907680603     -1.45275025212566
  C          -1.18629471114163     -2.08354372462247      1.41784262588884
  H          -1.76848362680799     -1.60563712318935      2.20808356604977
  H          -1.31185196173297     -3.16682234132331      1.47676069696589
  H          -0.13585060185378     -1.82313828095649      1.54652723870906
  H          -4.06867137029750     -1.41485783418887      0.52102711108802
  H          -3.62138706369683     -3.01092625489343     -0.13998411880749
  H          -3.92278334578274     -1.63678775138512     -1.23645248416107
  H          -1.32477898300481     -2.15256168752047     -2.43284607067400
  H          -1.16941664969659     -3.51667629519960     -1.29454932528332
  H           0.12202843121444     -2.28950182458645     -1.41291874845704
  C           2.12516476956757      1.43782504778517     -0.05730710924284
  C           2.37587349304958      0.76471749330599      1.14137525702329
  C           2.08013912868072      0.67700695013097     -1.22431019749769
  C           2.61841353331249     -0.59070440571628      1.13424037814121
  H           2.43623712033535      1.28922004286153      2.08809531020556
  C           2.32176398308233     -0.68978190142389     -1.20888281715887
  H           1.84587018612662      1.15632955849998     -2.16784313977604
  C           2.61264875672065     -1.37642585468251     -0.02490759652325
  H           2.27975321310224     -1.23601912620341     -2.14202824629082
  N           2.94853919820376     -2.73921425951972      0.01991506330764
  C           3.22316550232527     -3.37275058549492     -1.26087529454647
  C           2.11400376405230     -3.59507451126756      0.86374898188604
  H           3.64709107184441     -4.36018230925931     -1.06803680253686
  H           2.32171330110469     -3.50349216138673     -1.87731819667871
  H           3.95375312011276     -2.78974802185273     -1.82390154429864
  H           1.15658586458311     -3.82690655607123      0.37782041351714
  H           2.64303308961845     -4.53344065215444      1.04407848055541
  H           1.91477370877155     -3.12532472494231      1.82343448336324
  F           2.92812409795886     -1.17630646508175      2.32164222798810
*

