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

* xyz 1 1
  C          -0.33114247540069     -2.95973744265322     -0.37208266210615
  C           0.99985356731445     -2.85263764898525     -0.80822804034796
  C           1.71788086079994     -1.74567790036028     -0.46568507150863
  C           1.14324190614300     -0.70020778244602      0.31502764561279
  C          -0.21969100059351     -0.83122236273672      0.74414465539757
  C          -0.93660265212387     -1.93223103792381      0.41429162554411
  H           1.41691487104640     -3.65413324129313     -1.40439923781825
  H           2.74922816919842     -1.64878816242839     -0.78851663573754
  H          -0.67249561753033     -0.02488209893155      1.31153170971679
  C           2.10980924707260      0.19052510814147      1.16356542327173
  H           1.67972462547513      0.50261201655215      2.10577231052443
  H           3.12048461832132     -0.19071973368384      1.22401925148174
  H           2.31890218639161      0.75291044940567     -0.91340594610729
  C           0.62541653595612      1.87930639457285     -0.12304315180558
  C          -0.04177421092647      2.10086214540597     -1.32790461963891
  C           0.32701974162760      2.66986520550057      0.98350885096956
  C          -1.00885713874834      3.08865926230125     -1.41923918142258
  H           0.19811140161723      1.49479218611744     -2.19605081264171
  C          -0.64086674067499      3.66271780546974      0.88952389754762
  H           0.86518824582352      2.53864579488581      1.91559161470624
  C          -1.31242410701132      3.86887867209729     -0.30768107753711
  H          -1.52256985122773      3.25693215079742     -2.35853004489831
  H          -0.85975211498466      4.28360639585286      1.75042512966831
  H          -2.06403880748988      4.64634782555133     -0.38044824284758
  C           1.65256043408495      0.80760833219177     -0.06047644378730
  O          -1.02815345239115     -4.01985564880016     -0.70575385645555
  H          -1.92667959033963     -3.95963678604037     -0.33837561263452
  O          -2.22868508957018     -2.19846789867308      0.73897003763355
  H          -2.63044485185952     -1.48291580988777      1.24411008522053
*

