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

* xyz 1 1
  C           0.06729734866450     -2.20925995057418      0.06307847541732
  C           0.31187459360026     -1.42869401384748      1.18946965221457
  C           0.76364343226441     -0.12474967454006      1.01987113342339
  C           0.97857406929179      0.38977834423658     -0.25539165645690
  C           0.75615876378181     -0.41065533558983     -1.36758045063825
  C           0.28558811290582     -1.71507607370914     -1.21585028420637
  H           0.93920197450044      0.48403284924434      1.89958648699847
  H           0.95756312122523     -0.05336783037740     -2.36980156625087
  C           1.48000100209568      1.78295572072500     -0.39254404537272
  H           2.25214203917246      2.06443226743645      0.31399896330219
  H           2.08718188232772      3.34875939356568     -1.78217153491115
  H           0.83335679688081      2.18946452959977     -2.43830220673094
  C           0.34756539092372      2.99995612412827     -0.41537632521338
  C          -1.01266814883637      2.61191210103501     -0.54534703260295
  C           0.67979207081538      4.13475639673995      0.37214271324445
  C          -1.99508517065406      3.33873632331757      0.07727577344606
  H          -1.26414201614773      1.73554022467934     -1.13209493048317
  C          -0.30856455869506      4.85081787685610      1.00039779288318
  H           1.72036989652979      4.42848492974845      0.46762797143630
  C          -1.63990800603451      4.45089087261079      0.84941836496557
  H          -3.03529218219855      3.05447683573711     -0.02066242227909
  H          -0.06382152364223      5.71581379873908      1.60386281008062
  H          -2.42013058526357      5.01667566953612      1.34819505188893
  C           1.35177068861289      2.58301138301350     -1.57368983249405
  N          -0.43362105799495     -3.58911566935581      0.23291796623588
  O           0.22701659774536     -4.31039828615931      0.94147445250163
  O          -1.45702199425808     -3.85487845455883     -0.35354584251041
  C           0.07334469917480     -1.91093568041988      2.52520305206315
  N          -0.12487354707254     -2.21783093186085      3.61346098470509
  C           0.06927756294806     -2.51080816253363     -2.39618030930636
  N          -0.06757425266329     -3.08907457742276     -3.37839920535020
*

