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

* xyz 1 1
  C          -0.06736139490295     -3.33882215506229      0.29102271458137
  C           0.76286033469383     -2.74493907364107      1.26389219426226
  C           1.24738873973887     -1.47915283242411      1.08466455382912
  C           0.92264106140128     -0.73509896710230     -0.08718387914202
  C           0.08027245249031     -1.34606109116124     -1.06503883578380
  C          -0.39748665955072     -2.60875462667703     -0.87643870936761
  H           1.01324324356397     -3.30527497003475      2.15673853421199
  H           1.88496571391273     -1.02413091878633      1.83513059587617
  H          -0.17967053132575     -0.80529186169719     -1.96609923421224
  H          -1.03426175141554     -3.05360599947808     -1.62897003751683
  C           1.44257974146622      0.53645391951552     -0.22694349331371
  H           2.08549510599759      0.89195386771635      0.57642261445002
  H           2.09272948709904      2.01010942583563     -1.59391679885275
  H           0.66629569376114      1.10986125166350     -2.15432643932715
  C           0.27774777480697      2.53990499330345     -0.55528692896384
  C          -1.07185410286150      2.25740541937166     -0.36007335766995
  C           0.82031783092874      3.71872748226133     -0.05087390679731
  C          -1.88331988048767      3.16601233508489      0.30400726696600
  H          -1.49557624962773      1.33229027812502     -0.73887976771982
  C           0.00811087730321      4.62390967853867      0.61722196409073
  H           1.87205415566685      3.94120064061850     -0.20000926898107
  C          -1.34291976032312      4.34868536984923      0.79424277798283
  H          -2.93689998982950      2.95139666584084      0.43949577425790
  H           0.42886949903357      5.54881745240603      0.99396813597767
  H          -1.97597189648084      5.05843527762191      1.31392317778411
  C           1.16500994479153      1.52626294284408     -1.28210510457071
  C          -0.55332671103622     -4.69456092390717      0.53445784195870
  C          -1.30911155956673     -5.40175674359337     -0.30650414137489
  H          -0.25471640651149     -5.13732469671540      1.47935504035077
  H          -1.62427338196128     -6.40592451839344     -0.04877197600589
  H          -1.63795441077477     -5.02508858192286     -1.26790526698008
*

