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

* xyz 1 1
  C          -1.28606121400081     -2.95711718557175     -0.57905076500229
  C          -0.05396415950405     -3.15739479786288      0.04204407627837
  C           0.51671319255530     -2.14747639397121      0.80295237871177
  C          -0.14985513537845     -0.93418996486841      0.95793402146584
  C          -1.37000095355288     -0.73050749292879      0.31778852535714
  C          -1.94420608841498     -1.74553722233917     -0.43800706933361
  H           1.47079480282149     -2.31899791424924      1.29448808206613
  H          -1.88567980742760      0.21928064511985      0.42002757283079
  H          -2.90320283333220     -1.58619748345398     -0.91631730494253
  C           0.47153200665304      0.19446529561981      1.79205025049098
  H          -0.27795876165954      0.72787577784837      2.37088110118904
  H           1.23106910679500     -0.21644162926413      2.45853927696886
  H           1.96236010562109      0.53059498182371      0.25810702856346
  C           0.64865420509125      2.18584671517563      0.17098798375375
  C           1.34490474389649      2.69678672802325     -0.95841719647507
  C          -0.44709375882094      2.91872334819761      0.70485738351105
  C           0.96052380417311      3.88643473618912     -1.53135853381251
  H           2.18033989033937      2.13428515302716     -1.36126706971196
  C          -0.82173714486942      4.10483466105434      0.12580103739442
  H          -0.97951124618858      2.54771486993876      1.57131259150868
  C          -0.11972046826762      4.58322845088142     -0.98824484470821
  H           1.48651981271766      4.28055578996277     -2.39176471857629
  H          -1.65141602328877      4.67416191032730      0.52595995353498
  H          -0.42330187715039      5.52270901286850     -1.43824654795901
  C           1.08967371621911      0.98694579267386      0.72238383847414
  H          -1.70856250420065     -3.76439207014183     -1.16622411106138
  C           0.65457750484910     -4.46590045939395     -0.10789359617367
  O           0.23241976086362     -5.36979650795322     -0.77735821840421
  H           1.61157334346125     -4.55339465673289      0.44431206406138
*

