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

* xyz 1 1
  C          -0.78208208924322     -3.07685302271378      0.01606370784682
  C           0.35942934861980     -3.08104597670011     -0.81686145649749
  C           1.21814795399424     -2.02891787867605     -0.75913855532852
  C           0.98236937683730     -0.92352626228750      0.11616710801847
  C          -0.18521932153838     -0.95035044044694      0.93644352023631
  C          -1.04729426552096     -2.00167407396740      0.89582096575379
  H           0.52018625094054     -3.92431990629563     -1.47628573938705
  H           2.10395887213072     -2.01932044381324     -1.38632384288360
  H          -0.39071007441953     -0.10402120409451      1.58208534767261
  H          -1.93598625228706     -2.01880565045170      1.51728002943340
  C           2.20957560698633     -0.07239244209503      0.58600401090445
  H           2.11290411061466      0.28873588160153      1.60117606533038
  H           3.16354019705489     -0.52446906968336      0.34828629778858
  H           1.79581980630295      0.41543499886661     -1.47583132292272
  C           0.50768479721556      1.68845774418731     -0.26170317006208
  C          -0.45449582576613      1.94733980559327     -1.23811911952834
  C           0.58719010879622      2.50893464665517      0.86067907834339
  C          -1.33894788840974      3.00234830043752     -1.08412159109263
  H          -0.50990148233558      1.31785787274518     -2.12087198799870
  C          -0.29818479200397      3.56880059357130      1.01182972851080
  H           1.35434654804003      2.34706526596045      1.60955535779374
  C          -1.26374264292195      3.81246764965010      0.04456439091778
  H          -2.08371138281391      3.19924487219773     -1.84630733723145
  H          -0.22444213622099      4.21119252852807      1.88148987239059
  H          -1.95138033496613      4.64180364658489      0.16285819486528
  C           1.43680108689623      0.54824901501802     -0.46167579296166
  O          -1.58344640828983     -4.12054698517569     -0.08107114965920
  H          -2.34034897769212     -4.05376099519621      0.51774890974704
*

