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

* xyz 1 1
  C          -0.55823591855303     -3.33383015336183      0.29422650648807
  C           0.29626541458353     -3.26275953044755     -0.80922753399893
  C           1.13950668938172     -2.18129557331309     -0.98770004850080
  C           1.15920912036242     -1.14890800203691     -0.04697660618880
  C           0.28293270429846     -1.19152842095087      1.03755566893735
  C          -0.55163234685557     -2.28095528331849      1.21184726913690
  H           0.30120141381715     -4.06993702275638     -1.53349981519681
  H           1.80624522820897     -2.15016085153690     -1.84379189520976
  H           0.26233701986516     -0.37763492764834      1.75487135185225
  H          -1.21419979543292     -2.31616579272082      2.06957759669180
  C           2.10720649465399      0.04879534772246     -0.23138242059742
  H           2.43702701386598      0.46066564462433      0.71772332623069
  H           2.95809648180600     -0.23241041589617     -0.84940002207876
  H           0.94913740986708      0.55176177667712     -1.98513958427822
  C           0.31803770733174      1.88852188619217     -0.45878010982858
  C          -0.69508529379033      2.40325044667443     -1.30260244375180
  C           0.50645863959554      2.45297372257753      0.82655815606189
  C          -1.49617536724602      3.43980875179563     -0.87545795757262
  H          -0.83432796418395      1.96991215620264     -2.28723184051368
  C          -0.29579050727738      3.48834606571214      1.24374353479678
  H           1.28797973851407      2.08061397779709      1.47676146103753
  C          -1.29490682146341      3.97644631217186      0.39490632553422
  H          -2.27273104021418      3.83568200008053     -1.51792372839414
  H          -0.15455472268566      3.93055826587744      2.22219878117955
  H          -1.92288155091580      4.79407032077220      0.73227793978194
  C           1.12405907976740      0.85085791028452     -0.95403104232022
  C          -1.44730777692982     -4.52830841743567      0.49864977325106
  H          -0.90621821528833     -5.30475070117498      1.04732306078010
  H          -2.33464795359091     -4.26866904504826      1.07724303918951
  H          -1.76192510149191     -4.95464266751578     -0.45491258251907
*

