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

* xyz 1 1
  C          -0.24646143564335     -2.43353277534634      0.03887500823457
  C           1.14178314733616     -2.36961450742702      0.07390844689371
  C           1.75778566953115     -1.16968779201545      0.42745959867777
  C           0.99396523600135     -0.06264985254872      0.77014534000049
  C          -0.39193317716753     -0.14451164850655      0.73541677416354
  C          -1.02426305267860     -1.32789834199077      0.36232690396749
  H           2.84073399736200     -1.12795403545267      0.44286662936497
  H          -1.00848354588296      0.70659844506254      1.00184347337538
  C           1.65471286722052      1.25892974734246      1.15607853884794
  H           1.22014643066305      1.65941056769274      2.06949801533093
  H           2.72335250605927      1.09470403367228      1.32040594873139
  H           2.02808536795569      1.84054457292407     -0.90674188112820
  C           0.69230602559164      3.27124750444910     -0.12782963066763
  C           0.63672750491821      3.92499034362170     -1.39786358996313
  C          -0.07399649310990      3.79377927482958      0.95976086870605
  C          -0.14706037460975      5.03781256063452     -1.57114431843334
  H           1.22058037661762      3.52561957765330     -2.22034784752400
  C          -0.85232030560573      4.90420876819511      0.77283005258685
  H          -0.03806043633967      3.31638764378877      1.93071771070796
  C          -0.88729541253074      5.52020629219803     -0.48805752705103
  H          -0.19621824899281      5.53747767394856     -2.53038454137459
  H          -1.43824307709712      5.31086947600443      1.58759347440400
  H          -1.50871099078613      6.39955444341725     -0.62450814815226
  C           1.48770499806679      2.15050422973147     -0.01309631452048
  N          -0.90834346578179     -3.69477347159645     -0.35486754573101
  O          -0.55864708202656     -4.68796937461374      0.23715269381827
  O          -1.73598597443894     -3.60644684226880     -1.23253740358474
  C          -2.46406098913869     -1.35642686008629      0.34931299865024
  N          -3.60985620641450     -1.29131532111532      0.38019118915784
  C           1.97382956400209     -3.49005816722111     -0.28109346954454
  N           2.69984457691923     -4.32852916497673     -0.57725544794442
*

