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

* xyz 1 1
  C          -0.82367007363520     -3.52483984179098     -0.22123190897479
  C          -0.01116115002023     -3.14299771170814      0.85002097470462
  C           0.69044292308345     -1.95296311664538      0.76426867663872
  C           0.57724437645303     -1.14419977255656     -0.38848575804648
  C          -0.24884840332443     -1.54918869201063     -1.46434129143969
  C          -0.93767457126560     -2.73565436549271     -1.36671919741005
  H           1.32248725484808     -1.64947583747570      1.59119353410012
  H          -0.32925353339233     -0.94521519003685     -2.35790341947612
  H          -1.57044934743043     -3.07043820710631     -2.17938856886071
  C           1.33393819220490      0.03627714316999     -0.42849954564361
  H           1.99531818523999      0.21848881824836      0.41612630616622
  H           2.25322765342571      1.54627173641481     -1.61015427802728
  H           0.77413483943906      0.85722552690665     -2.34512925220358
  C           0.43446877612400      2.07357663849446     -0.55348121502052
  C          -0.95429236578197      1.95399911086520     -0.53170597235445
  C           1.06733815939035      3.03663080253362      0.23345006706852
  C          -1.71078630255866      2.83276083857771      0.22799650035988
  H          -1.44512425904117      1.18507697885995     -1.11918622720451
  C           0.30776897197083      3.90853110458126      0.99695740964564
  H           2.14915654747941      3.12293417070609      0.22369237247451
  C          -1.07991826183433      3.80774598030810      0.99259489632548
  H          -2.79151199011098      2.75560179026677      0.22736408898911
  H           0.79651071264202      4.67137914587331      1.59123107630040
  H          -1.67184667295785      4.49137812079556      1.59005674919448
  C           1.27348307009002      1.11203650822503     -1.41499016511721
  H          -1.37534575648228     -4.45897688239827     -0.16412886984838
  O           0.13251510406272     -3.87296260457827      1.97492567232446
  H          -0.38741214861811     -4.68388088302704      1.93616252533522
*

