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

* xyz 1 1
  C          -0.87964465949854     -2.23481494646579      0.07746070406352
  C           0.54568945058665     -2.31968939950761     -0.12848201039912
  C           1.31621103232185     -1.24910783546756      0.20036618585758
  C           0.73430318092397     -0.04741823839518      0.73935244690019
  C          -0.67482777506082      0.00114615475520      0.92276517770661
  C          -1.46441518886852     -1.06368813736430      0.60454299491463
  H           2.39001826145357     -1.28252676273821      0.06560431818511
  H          -1.12183522554740      0.91349669120943      1.30066943684213
  H          -2.53432980997503     -1.00884537656762      0.74471610509781
  C           1.61867515722309      0.83665496182968      1.67963595069257
  H           1.07171417912244      1.29426038156732      2.49279990810308
  H           2.55264341969506      0.36779088443807      1.95929235900127
  H           2.24712521135782      1.13511742664858     -0.36737310015244
  C           0.59653616002130      2.51714935960000     -0.00780179299448
  C           0.15490304014793      2.66659020792140     -1.32250678124699
  C           0.24762442584582      3.46915376639006      0.94503800957588
  C          -0.64036779875320      3.74492659328289     -1.67438174290014
  H           0.43545015031768      1.93224518702263     -2.07132989373179
  C          -0.54820459121541      4.55243226202871      0.59052553841214
  H           0.61310904250670      3.38844195149970      1.96262546476916
  C          -0.99649246106811      4.68854226167894     -0.71552103640105
  H          -0.97927609611342      3.85534083741396     -2.69789624066734
  H          -0.80823282791730      5.29528389281131      1.33561950898453
  H          -1.61443836029213      5.53510036429005     -0.99147632896092
  C           1.45006496246753      1.34758877364955      0.33600554332803
  O          -1.54881518485961     -3.30000549315002     -0.26473214862969
  C          -2.98240399668910     -3.33939588038414     -0.10237598319439
  H          -3.24320925332891     -3.21903273958996      0.94997436135697
  H          -3.44924755642242     -2.56654278969703     -0.71457396564065
  H          -3.27767094159887     -4.32436994057554     -0.45194859361035
  O           0.96425339191909     -3.48696252622403     -0.63723991714239
  C           2.36682381532262     -3.63836100689287     -0.85807009484755
  H           2.72630591708211     -2.89829745846968     -1.57916338888159
  H           2.91739552260206     -3.54989669977742      0.08308872644040
  H           2.49511478629151     -4.63804931677056     -1.26477194083073
*

