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

* xyz 1 1
  C          -0.33988926364896     -3.64057810776761      0.39830279942937
  C           0.90700900943717     -3.15082537908531      0.81796828320545
  C           1.35326224338349     -1.93279457723744      0.37558626912918
  C           0.56277098922180     -1.14837322112501     -0.51157411209820
  C          -0.70203405618075     -1.65623535791966     -0.92863550237108
  C          -1.13411999832438     -2.87205464684819     -0.47954602192436
  H           1.51172377304266     -3.74272371980198      1.49453820432584
  H           2.31545484419994     -1.54979041347047      0.69878829524497
  H          -1.32018125893212     -1.08130617343848     -1.60634919508598
  H          -2.09479902850300     -3.26089035214105     -0.79712788405124
  C           1.06705239663950      0.06628096255692     -0.94366369795790
  H           2.05576850425787      0.34104655264807     -0.58017305181805
  H           1.09208098362104      1.48879275614990     -2.50688396203893
  H          -0.50480020134722      0.74573620218825     -2.25318940130786
  C           0.10214856091177      2.16828493963583     -0.71301277604634
  C          -0.99956587941576      2.02562794423824      0.12691785203635
  C           0.95016981283368      3.26355605504033     -0.56845615538482
  C          -1.27531643528898      2.99499135226029      1.08058727675628
  H          -1.65353218310160      1.16471818211760      0.02753788848722
  C           0.67519686741440      4.22873461943959      0.38919953634213
  H           1.81065038349683      3.37581367872225     -1.22026648761421
  C          -0.43713629861762      4.09548497622183      1.21266163656363
  H          -2.14361350464903      2.89163243132653      1.72068798004651
  H           1.32537111114173      5.09000829379389      0.48826252021648
  H          -0.65177387016439      4.85230694988987      1.95814140969619
  C           0.40105117136495      1.09159444607606     -1.76116185806744
  C          -0.82487461275404     -4.97849937865637      0.85288083697468
  H          -1.88402681367131     -4.93900285391172      1.11476676422568
  H          -0.72221649655058     -5.69315631789441      0.02918278201012
  H          -0.25322117981707     -5.35109725300776      1.70179648107631
*

