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

* xyz 1 1
  C          -0.21124779793256     -2.82022452962128     -0.12674879764167
  C           1.02687695595955     -2.64452353996482     -0.80236754383862
  C           1.71723099230386     -1.49034419629188     -0.63930912914305
  C           1.21902750383907     -0.43737286867732      0.19682481429829
  C          -0.03300049333873     -0.64250218601057      0.85337989734676
  C          -0.73473025855160     -1.79890397556290      0.70720463684318
  H           1.38572466089456     -3.44952327075015     -1.43095775009870
  H           2.66740834897262     -1.35021296628072     -1.14488922088744
  H          -0.43490045963282      0.15808330835316      1.46450379889611
  H          -1.68139261896202     -1.92859325355445      1.21169277695775
  C           2.25410554752614      0.53131968667691      0.85881694513339
  H           1.97289241328178      0.84570556513061      1.85489161012157
  H           3.28113165089106      0.20835367596993      0.75101435715789
  H           2.07076711130347      1.03718830513272     -1.23382959052586
  C           0.47724907844314      2.10004721636908     -0.18852722471981
  C          -0.39290846594963      2.25832221997857     -1.26721039844531
  C           0.33103835079016      2.90722112182659      0.93589386867356
  C          -1.40752261587436      3.20010632267121     -1.21384761839443
  H          -0.27314580307253      1.63964942094382     -2.15127162702256
  C          -0.68558679824845      3.85335888963260      0.98727530114124
  H           1.02250211482255      2.82466581497112      1.76688033301508
  C          -1.55733113615005      3.99698857617393     -0.08305413395537
  H          -2.07913183763616      3.31922411989747     -2.05603128811484
  H          -0.78757366498314      4.48616706645387      1.86115252342021
  H          -2.34732702308801      4.73789936635585     -0.04310671894291
  C           1.55535870274278      1.07999267708155     -0.28099370562191
  O          -0.80726808493552     -3.96478994125840     -0.34218876858851
  C          -2.06890733051597     -4.25960437518864      0.29595431527232
  H          -1.95110209256205     -4.24897636551902      1.38027573773991
  H          -2.82661200406611     -3.54372241687509     -0.02533732854641
  H          -2.32987201627107     -5.25810244806373     -0.04252042152984
*

