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

* xyz 1 1
  C          -0.60580713369412     -3.11729635241691      0.12996652397878
  C           0.77264774456384     -3.11583563304468     -0.05388291706564
  C           1.53414727138989     -2.00011078213404      0.24097679151725
  C           0.90478556194655     -0.86613462010505      0.74515304477422
  C          -0.47631323978772     -0.84014823038072      0.91743542666112
  C          -1.21576175502355     -1.96957626104181      0.61982337558843
  H           2.60708402813737     -2.04908258748691      0.09749418384726
  H          -0.99529336620757      0.03339122078266      1.29433137089216
  C           1.72020983899452      0.38932777821755      1.06523061363683
  H           1.40161070466265      0.84730237522171      1.99827565797175
  H           2.77889210954893      0.13140287731088      1.12914566006567
  H           1.93059647727012      0.85042509683848     -1.04306271557679
  C           0.65965497898874      2.33661132894047     -0.24228724281366
  C           0.47913626352257      2.89978048738050     -1.53755942069239
  C           0.01932801591357      2.94171241830749      0.87671074295739
  C          -0.30800834043076      4.01362361965887     -1.70651694877559
  H           0.96936821391480      2.43541490191999     -2.38652349761512
  C          -0.76364208543775      4.05276766241565      0.69600905738963
  H           0.15434799627889      2.53087293140266      1.86913945844276
  C          -0.92561582334556      4.58304355659172     -0.59135477858117
  H          -0.45038904126825      4.44638401242689     -2.68871508044785
  H          -1.25378923703157      4.52371999612204      1.53894281192434
  H          -1.54739521981102      5.46251676494165     -0.72329326359233
  C           1.47036720294102      1.21652040727840     -0.12663460352480
  F          -2.53513243180795     -1.96970407064505      0.79298062808541
  F          -1.32243563175355     -4.19147181116015     -0.15737651661593
  F           1.35239002752590     -4.21717796734236     -0.51990170243169
*

