#
#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          -1.21084707595867      2.40503409002268     -0.52321494981602
  H          -2.09835784024019      2.09284098661102     -1.07167900337406
  H          -0.95413890201788      3.41012297461816     -0.88302956683910
  C          -0.02971131908808      1.49844955062335     -0.77605933752245
  C           0.93935158132045      1.60608704741209      0.16856780687066
  H           1.75395484872487      0.90262874797220      0.28549843900122
  C           0.95894140229357      2.80850673915061      1.14794800212271
  H           1.87488654095818      2.82065459523751      1.72501772669888
  H           0.72671458845294      3.75311186062290      0.66379997487650
  C          -0.15992977990898      2.06561698275602      1.66904654119895
  C          -1.46727992175933      2.37499513587371      0.98902723742209
  H          -2.22258637833668      1.62842158019060      1.22403420421599
  H          -1.81948877190370      3.33572526425854      1.38029732407338
  Au          0.05220680039819      0.19005553021591     -2.35332123578500
  P           0.13565832630000     -1.28370369930069     -4.13244757799891
  C           0.88585530991973     -0.58419452282096     -5.62542981294971
  C           1.09282904460894     -2.78344359086464     -3.79279709085802
  C          -1.48767456700316     -1.88240969694384     -4.66794976344657
  H          -2.10591865085647     -1.03511015258338     -4.97063189049125
  H          -1.37773330492026     -2.57154315892021     -5.50858328955529
  H          -1.97728718573637     -2.39594254810942     -3.83830842727722
  H           0.31163525166849      0.28696224070360     -5.94658279591409
  H           0.89691671627735     -1.32822102182775     -6.42546741743905
  H           1.90802242154073     -0.27002224072143     -5.40603200190232
  H           2.11870320754085     -2.50971887421205     -3.53911438293662
  H           1.09629111081614     -3.43632613564883     -4.66879155253134
  H           0.65112363929832     -3.31282301537166     -2.94643171628013
  C          -0.05983151814058      1.19000479461760      2.82150205480539
  C          -0.99103151556990      0.15735975836008      3.02937845008714
  C           0.95082051568790      1.34836326515336      3.77828081446205
  C          -0.88249431680792     -0.66245324794989      4.11629164769762
  H          -1.80771258888969     -0.02259634721193      2.34152119972640
  C           1.04546030453442      0.51724954283054      4.87530205398475
  H           1.67584450698145      2.14629396519057      3.67737015562498
  C           0.14380111120878     -0.54853151417900      5.08412897402044
  F          -1.85144266081265     -1.59935386849815      4.29388835838611
  H           1.84677648868857      0.67839984201485      5.58290821830317
  N           0.23287620566332     -1.37764479341248      6.16009116020223
  C          -0.18088078966976     -2.78052262377169      6.08731313142966
  C           1.16159995487926     -1.05974703553606      7.23384615073569
  H           0.55614526000076     -3.38061289181739      6.62362991211596
  H          -1.16075366414677     -2.94112728981690      6.54407238636951
  H          -0.20448967467090     -3.12880519380825      5.05626757710130
  H           0.88779729373427     -1.65171846662873      8.10723710451049
  H           2.20057150105475     -1.29027657857378      6.96645727103748
  H           1.08827139388575     -0.00593853590674      7.50535427583635
*

