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

* xyz 1 1
  C          -0.17090399267270     -2.61599883301312      0.19091151170126
  C           0.38025094623866     -1.92600817522552      1.25651743246190
  C           0.93010025817667     -0.67864172121459      1.01490859031160
  C           0.91465133527756     -0.13759349635761     -0.27277770950424
  C           0.36484218666515     -0.86626040507608     -1.32984642836937
  C          -0.18348230388462     -2.11722863901010     -1.10014500616326
  H           0.37516313042122     -2.36784125211225      2.24371999737407
  H           1.37043853518590     -0.11885167157677      1.83296662156221
  H           0.38259947651805     -0.47941653024545     -2.34157217341702
  H          -0.60822789550149     -2.70933025408269     -1.89950470531605
  C           1.52503231838456      1.18399048896781     -0.47886346969651
  H           2.30219209613590      1.45348884747869      0.22651741764932
  H           2.18045303172734      2.70164222141306     -1.88297583531367
  H           0.82460854738726      1.64101744783756     -2.48627785653135
  C           0.44221468371506      2.57885245155085     -0.51292690196510
  C          -0.93304684085043      2.25761703702985     -0.52706097960677
  C           0.90837738768606      3.63682808065473      0.29939943861527
  C          -1.81552420237579      2.99541794924870      0.22561247269740
  H          -1.28268524890419      1.42232894720927     -1.12256348746208
  C           0.02073788339738      4.36292469569146      1.06053247801591
  H           1.96691793474225      3.87622645479522      0.31002834800351
  C          -1.33676216147951      4.04168103794766      1.01883713634816
  H          -2.87290735129146      2.76230314887371      0.21298304563809
  H           0.37054522307287      5.17682768404301      1.68316053917130
  H          -2.03537849372297      4.61221776794178      1.62143194494118
  C           1.38154308620489      2.01364588768702     -1.63640829554478
  N          -0.76701899660488     -3.95525231730290      0.44111019163935
  O          -0.73188875175717     -4.36620994344127      1.57969270303402
  O          -1.24475138189154     -4.52886249971202     -0.51274303027436
*

