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

* xyz 1 1
  C          -0.23858122405734     -2.87116582946821     -0.11813417534507
  C           0.95793870141982     -2.67496671854451     -0.83401525371165
  C           1.70693860800089     -1.54325236260270     -0.64685582857099
  C           1.28504704770262     -0.54703252387829      0.26583221029251
  C           0.06955117252222     -0.74001518409335      0.96940245081371
  C          -0.66608799160174     -1.87679265816988      0.78722629872808
  H           1.28659695617679     -3.43411897582512     -1.53381777528207
  H           2.63425509097344     -1.40548085751211     -1.19389837844093
  H          -0.28314049255764      0.03493750334039      1.64002220977782
  H          -1.59099905215769     -2.00139271959567      1.33388055542953
  C           2.31000752232718      0.52155613853401      0.75547562966024
  H           2.10936350068144      0.86154235301632      1.76304634020575
  H           3.33673757547277      0.23150734351304      0.57109301648705
  H           1.94908841717243      0.94840202066258     -1.32572032235705
  C           0.43391216315749      2.02545742614982     -0.20758631466628
  C          -0.37344509149891      2.25206533405804     -1.32448062804908
  C           0.19073627059070      2.72903884624453      0.97367535103759
  C          -1.42164976690236      3.15480783971791     -1.25646844245238
  H          -0.17834212736531      1.71511312071411     -2.24728590754943
  C          -0.85587658469507      3.63549480259012      1.03760182785794
  H           0.83028959900415      2.59615569483731      1.83872237426528
  C          -1.66526531919648      3.84421824657324     -0.07363508949729
  H          -2.04528492738402      3.32685057594785     -2.12561592226876
  H          -1.03393757917014      4.18970494018898      1.95153958423825
  H          -2.48113167873424      4.55583398124813     -0.02092025505857
  C           1.54221836985164      1.06820490493377     -0.32870402662481
  C          -0.99537919424114     -4.10204146540052     -0.35563304064170
  C          -2.09743714825883     -4.46417012001202      0.29918802240923
  H          -0.59496823330451     -4.75689008055967     -1.12328024164371
  H          -2.59241240346276     -5.39949861090867      0.06674102944778
  H          -2.54364779046541     -3.86356345569940      1.08325379150900
*

