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

* xyz 1 1
  C          -0.81339660420464     -3.19993722691515     -0.49645535623125
  C           0.13823070401681     -2.88606208006860      0.48045406164067
  C           0.81869409387435     -1.69235028862636      0.40205327556149
  C           0.55484897155924     -0.78763414498325     -0.65635690438735
  C          -0.41133354493478     -1.13178408066251     -1.63528727411619
  C          -1.08579481751247     -2.32920486508175     -1.55146854232073
  H           1.55983217998072     -1.43418575144070      1.15327670687165
  H          -0.61267083537189     -0.45815058097719     -2.45866146677115
  H          -1.81997876239713     -2.59825710901612     -2.30065541199302
  C           1.28770722436037      0.40527744049323     -0.70715520434286
  H           2.05571666796192      0.53523165096064      0.05274056504136
  H           2.02744807898248      2.02237375378962     -1.87449317477200
  H           0.47281031810849      1.36183645823586     -2.46463673802472
  C           0.35677866089576      2.42164070730348     -0.54905419220156
  C          -1.01827612971991      2.27908424048732     -0.36692378122860
  C           1.07808971932619      3.32242435507632      0.23591107792711
  C          -1.67871316067921      3.07602198922133      0.55481583896376
  H          -1.57629378159151      1.55934152485449     -0.95692379301191
  C           0.41495865112051      4.11241974089107      1.16129480625252
  H           2.14975831940698      3.42710314090297      0.09976582556790
  C          -0.96196086092740      3.99032237804233      1.31924496760491
  H          -2.75090834852859      2.98322634882651      0.67993681430128
  H           0.96987802267177      4.82874632760676      1.75533106311479
  H          -1.47839019025775      4.61002962410515      2.04307356748748
  C           1.08710257382652      1.55259157432765     -1.58941890304089
  H          -1.33383752644372     -4.14882327635567     -0.41148384872159
  C           0.40099053499503     -3.85474236034682      1.59598642419290
  O          -0.18543504030828     -4.89685686308754      1.69134434350402
  H           1.17187951179013     -3.54585853756309      2.32746045313202
*

