#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.20844606365163     -3.31663649499223      0.25978054019580
  C           0.90271906023614     -3.19025777273230     -0.57348657623743
  C           1.61169852928505     -2.00077997730768     -0.59364412104610
  C           1.22254860409278     -0.94320199207302      0.22489896600303
  C           0.10178566749045     -1.06852786068837      1.04208224254684
  C          -0.60908613936360     -2.25646376285663      1.07161153656341
  H           1.20713911225457     -4.02368371182400     -1.19450708734076
  H           2.48385052509033     -1.90693960585026     -1.23183745358902
  H          -0.21276440024341     -0.24278869117353      1.67176632990314
  H          -1.47196804363601     -2.36866559496766      1.71630005151919
  C           1.99456924679592      0.38076939929357      0.19994915330663
  H           2.08767772384380      0.80761695451596      1.19541723577574
  H           2.98756862582036      0.21722027386622     -0.22295901705232
  H           1.21109619301060      0.86280585165782     -1.76285879164980
  C           0.30474431005725      2.22015296496127     -0.42202884537678
  C          -0.47630035863153      2.76368040247862     -1.48111433101010
  C           0.17739998942731      2.76339865474450      0.88814871163456
  C          -1.34682500341862      3.79977261609753     -1.24074519747058
  H          -0.37532424614263      2.34663969581922     -2.47740522558458
  C          -0.69427223633805      3.79707108013340      1.11611456803865
  H           0.77221980938405      2.36800562760342      1.70158511798621
  C          -1.45233914585150      4.30994326239833      0.05447153217809
  H          -1.94417058723708      4.21729725716243     -2.04143985993402
  H          -0.79771147814050      4.22143123019618      2.10699058941683
  H          -2.13847383105857      5.12857179793676      0.24569368058102
  C           1.17517087080998      1.18182948355059     -0.72229082555147
  C          -0.95240801451144     -4.55107694348696      0.27918233231437
  N          -1.55041431937404     -5.53198273446322      0.29201177387947
*

