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

* xyz 1 1
  C          -0.28755396992306     -3.17026714423115      0.19065385763264
  C           0.80723832722061     -3.03848663107041     -0.67023975499640
  C           1.57100044437874     -1.88594845743041     -0.65221098604306
  C           1.26392811355933     -0.85684208477626      0.23902760244744
  C           0.15587572870353     -0.97369770171418      1.07753409690626
  C          -0.60568650691071     -2.12776649290726      1.06689095009841
  H           1.05382848686978     -3.84907369019104     -1.34466152370124
  H           2.42735977916813     -1.79760972640559     -1.31295333211259
  H          -0.10490303184144     -0.16714404904789      1.75480034053767
  H          -1.45338074726224     -2.23283287549680      1.73245637949356
  C           2.11201441327822      0.42379868302775      0.26183526558949
  H           2.18130815570437      0.84823193908821      1.25943546464235
  H           3.10582038861893      0.22278653838505     -0.13685147202907
  H           1.37512818606749      0.88383916972937     -1.71944611225938
  C           0.34421042267314      2.17769478619652     -0.39408453425192
  C          -0.45412737670100      2.66132172778285     -1.46215791349870
  C           0.17809130606153      2.72719009292529      0.90382495145394
  C          -1.38570303389870      3.65051513435260     -1.24124041948632
  H          -0.32266440061296      2.23930340814422     -2.45274175839049
  C          -0.75277018889019      3.71482511179646      1.11387055585247
  H           0.79017409668184      2.37847904856560      1.72587418217020
  C          -1.53200358990808      4.17118603812394      0.04408682529942
  H          -1.99812821451122      4.02213978172852     -2.05315542987294
  H          -0.88356219548609      4.14489941110102      2.09910025784746
  H          -2.26437730995036      4.95199435682380      0.21989367597504
  C           1.28921858821773      1.18782188870151     -0.67807548576694
  C          -1.08032505473760     -4.36527617353863      0.17176098107421
  C          -1.74110095667134     -5.36469789853095      0.15537299933270
  H          -2.32804424989838     -6.25575203113218      0.14194210605580
*

