#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guessG9_frz1Ang.gbw" end

* xyz 1 1
  Au          0.03339574320690     -1.89789667611163      0.15156737153590
  C           1.31423221112691      0.54207739480470      1.30727618618617
  C           0.14551649366033     -0.04605444589058      1.06470669381868
  C           0.22732892683368      2.57517985923863      1.77149871307172
  C           1.47383816776712      1.89139641624086      2.08596958520103
  H           1.54097116483145      1.67521067899849      3.15322733014592
  C          -1.13824756819071      0.63533298201931      1.41916785876340
  H          -1.82073748384207     -0.02534506337749      1.95723401643474
  H          -1.64678129057142      0.95040659545339      0.50370246524134
  C          -0.94581194114059      1.92505517839009      2.33224901174857
  P          -0.09638748983849     -3.96858711100397     -0.85655732152021
  C           0.31261688106899     -3.95800451631418     -2.62180705301712
  C           1.01364472398638     -5.20868085334359     -0.13948519250193
  H           2.26664801263949      0.13826184124150      0.97863895680691
  C          -1.74081546107482     -4.72526267727410     -0.77330762079232
  H          -2.46611355676957     -4.07350020094885     -1.26421615906692
  H          -1.73492156226255     -5.69974905381764     -1.26738131780350
  H          -2.03159210104012     -4.84908141583280      0.27166393472256
  H          -0.37253389164054     -3.29211007983954     -3.14994432473580
  H           0.23179413904330     -4.96602222405737     -3.03546537234783
  H           1.33183945318619     -3.59056791113358     -2.75628867425030
  H           2.04647296652563     -4.86594659456971     -0.22710333607518
  H           0.90173985081348     -6.16310706340292     -0.65940638059936
  H           0.77665843956466     -5.34075515481593      0.91798382168729
  H           2.37106831192699      2.40649241488978      1.75693583517356
  H          -1.86187881886119      2.50665104640903      2.29113259021478
  H          -0.74259119766733      1.57717602533031      3.34439745426817
  C           0.13436033377820      3.64054418214495      0.79992748428543
  C          -1.03615855736710      4.41218722447874      0.70773776360680
  C           1.20755609730223      3.91031392171489     -0.06878070043056
  C          -1.13257779242003      5.43128231458269     -0.22047677190570
  H          -1.86303742847821      4.24240604158839      1.38318259440453
  C           1.10667229882004      4.90751695510274     -1.01597313849977
  H           2.11171512835480      3.31851265716700     -0.02711166022277
  C          -0.06262800413600      5.66770207051327     -1.08133623339707
  H          -2.02641190675167      6.03897118935471     -0.28276665410789
  H           1.92308848509837      5.10587277804325     -1.69872112801204
  C          -0.16305780563979      6.72439983656179     -2.05821921861840
  N          -0.24221097184291      7.56536343746536     -2.83707040941284
*

