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

* xyz 1 1
  C          -0.18408574696080     -3.34700614716474      0.12421077496552
  C           0.42471797419990     -2.80088869474111      1.26906150538039
  C           0.96230081408177     -1.54249162199416      1.20960794134182
  C           0.91115134975437     -0.78482053915576      0.00589009723337
  C           0.29318298863814     -1.35765618362072     -1.14162392741561
  C          -0.24285638992158     -2.61372028716196     -1.08110754209235
  H           0.45927984493025     -3.38279057729685      2.18093587331500
  H           1.43261932078648     -1.10796880560867      2.08509410774578
  H           0.25158004959059     -0.80263841643669     -2.06995855789790
  H          -0.71206393691002     -3.06267361419654     -1.94709548324613
  C           1.48287499321558      0.48019277442701     -0.00075651848881
  H           1.95735983927030      0.80500952981722      0.92345742427419
  H           2.40482989463882      1.99748327759431     -1.15518983871497
  H           1.13708500581913      1.10750624494042     -2.03555937940916
  C           0.40282925228476      2.45508168502601     -0.48054888624532
  C          -0.95422122464325      2.17288923431344     -0.61929661192178
  C           0.81113250401010      3.58431908037196      0.22628894679022
  C          -1.90005293272429      3.04029795367978     -0.09292597779698
  H          -1.27534048409227      1.28349458735069     -1.15243250524621
  C          -0.13675746482859      4.44683217089250      0.75639415721646
  H           1.86806382186510      3.80366026723623      0.33901531139884
  C          -1.49128476196509      4.17594183943332      0.59618614406642
  H          -2.95558450568833      2.82999079681628     -0.21888204627599
  H           0.18130165103519      5.33530759502423      1.28904014100912
  H          -2.23012680799297      4.85265315748957      1.00942899489791
  C           1.44283096078884      1.49108833606623     -1.06547173583714
  C          -0.74498819052268     -4.65424425703412      0.17783396981191
  C          -1.21756783891568     -5.75559863641821      0.22204766502840
  H          -1.63797145974373     -6.73712590964970      0.26208427611297
*

