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

* xyz 1 1
  C          -0.81394453521227     -3.55803421564227     -0.35693896263398
  C          -0.06316472830634     -3.23285779791767      0.78167207598904
  C           0.62864925501538     -2.04032843696836      0.75967525249854
  C           0.58184161572076     -1.17742688125380     -0.36853221252767
  C          -0.18818812455273     -1.54724292846146     -1.50075641942357
  C          -0.87874228187859     -2.73429428706711     -1.48418250219537
  H           1.22312384523247     -1.74235871749974      1.61761062542053
  H          -0.22545676712953     -0.90717948043734     -2.37262647073960
  H          -1.46942363102485     -3.03894664651639     -2.33928419196372
  C           1.32337943754575      0.00123637350834     -0.32134841238871
  H           1.91617659803484      0.16750645477904      0.57636245125682
  H           2.33737568521093      1.51081922737846     -1.41087224108581
  H           0.89923915550377      0.86955708842805     -2.25025956983460
  C           0.46845142815884      2.10773689720210     -0.49939394196773
  C          -0.92023913760520      2.00732026365460     -0.54759341244196
  C           1.07079120449933      3.08553002247793      0.29064606795534
  C          -1.70447053897130      2.91262636655477      0.15170687857822
  H          -1.39127183299852      1.23222379800101     -1.14366470038206
  C           0.28392057727616      3.98512016104726      0.99352626144519
  H           2.15261595722940      3.16123822830140      0.33325888853796
  C          -1.10250153691258      3.89981444812955      0.92306727591573
  H          -2.78467272262090      2.84722059292603      0.09668441452702
  H           0.75204505577243      4.75829743528539      1.59121974683354
  H          -1.71540831089403      4.60555094703259      1.47161870971117
  C           1.33227293288142      1.10806270961341     -1.28256826175394
  H          -1.36639520059048     -4.49330751597447     -0.36345910202172
  C          -0.02738987931205     -4.16096286881956      1.96555288482561
  H           0.59560684272031     -3.75918912646330      2.76463474946029
  H          -1.03341168706753     -4.31747986674072      2.36079920799688
  H           0.37219286427510     -5.13548422455773      1.67653688040853
*

