#
#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          -2.46968394512001     -1.20405635113295     -0.92278515315958
  H          -2.16480027326567     -2.09621822772964     -1.46818387852185
  H          -3.43578462087100     -0.89351593871250     -1.34518365476426
  C          -1.51177666941094     -0.06525824110745     -1.11441351407241
  C          -1.56938731738519      0.82677457372594     -0.06436559919144
  H          -0.82219922272589      1.58747258650592      0.11349823212209
  C          -2.90163737939926      1.01201848164355      0.72321482938973
  H          -2.88743008155923      1.94082438275806      1.27879697560984
  H          -3.79723489738392      0.82538940855913      0.14148445854206
  C          -2.16194114855362     -0.11029895233684      1.23277202086077
  C          -2.52886627193705     -1.43678263663617      0.59198810273001
  H          -1.80950761793317     -2.20480507963149      0.87485804997538
  H          -3.51447042882057     -1.75117047333606      0.94515433671738
  Au         -0.19789983072686      0.06103539632807     -2.67234543306650
  P           1.28730863664243      0.19347423748473     -4.44376777555920
  C           0.77452994532435      1.35854037296535     -5.73133493244665
  C           2.94630948980703      0.73146165429783     -3.95818147411075
  C           1.53744585905868     -1.37902162502140     -5.30527473852244
  H           0.58296949676385     -1.73317861559705     -5.69926463962095
  H           2.24556505514025     -1.24994709724205     -6.12714254719039
  H           1.92540554076726     -2.12001352715643     -4.60381642836201
  H          -0.19373460599164      1.05411103564400     -6.13297200766340
  H           1.51322624108924      1.37767785004881     -6.53614792944940
  H           0.67916134991973      2.35703255495198     -5.30062704797473
  H           2.88703247697271      1.71894325196060     -3.49666426063006
  H           3.59837703014934      0.77671491031667     -4.83357249859516
  H           3.35908936383974      0.02794455597378     -3.23270868639876
  C          -1.39218393088901     -0.05204479724047      2.48839710441001
  C          -0.27699244077272     -0.87572613391209      2.68154806744416
  C          -1.74557152251755      0.81264648932046      3.52789880971378
  C           0.45731502563056     -0.84156209788327      3.84859093255288
  H           0.04019198804102     -1.54367267091239      1.88714955378826
  C          -1.03172708957132      0.85579565695967      4.71079305955987
  H          -2.61545278156305      1.45237198564265      3.42438434910625
  C           0.09588242883696      0.02805582674936      4.90398503157733
  H           1.32504208525049     -1.48095779691987      3.94740305698042
  H          -1.35547998098961      1.52328820498015      5.49892638283588
  N           0.80713255874555      0.06421370388528      6.05771811540557
  C           0.53511207855793      0.99703132384253      7.14900869017009
  C           1.91126082936733     -0.84458892551546      6.35972229997555
  H           0.43262439851718      2.01795520621749      6.77242566925685
  H          -0.39523015003625      0.73017040857021      7.66614545686024
  C           1.74897862626956      0.83420726335195      8.06243869542358
  H           1.63949269465003     -1.87786272735406      6.12939979181759
  H           2.79980767639861     -0.58672735813869      5.76996796038028
  C           2.14890796468984     -0.62749871687837      7.85351834792456
  H           2.55406009063895      1.49394755789197      7.72684832352044
  H           1.51786459391495      1.07357934438716      9.10115481252169
  H           1.48887743292380     -1.28140579203550      8.43034186109732
  H           3.17966817951613     -0.83780623253307      8.14158302102995
*

