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

* xyz 1 1
  C          -0.23810448918925     -3.16439018486134      0.17132769998659
  C           0.37755392615908     -2.63029245414671      1.30936828788911
  C           0.93572234698144     -1.38125638107719      1.22831971464081
  C           0.89226527515022     -0.63868401437239      0.01549919550578
  C           0.26001493769916     -1.21638580613618     -1.12120988425299
  C          -0.29754343652180     -2.46299793488455     -1.04449303421193
  H           0.40318512984613     -3.20503521711679      2.22583973136278
  H           1.41669314208774     -0.94490079695830      2.09708441944826
  H           0.22349872037086     -0.67454117556545     -2.05754525014020
  H          -0.77842872584409     -2.92067843276069     -1.89916861613346
  C           1.48675981566169      0.61659247347461     -0.01109175199153
  H           1.97529322271068      0.94310813615007      0.90509453676360
  H           2.41971694228656      2.11275154296032     -1.18640714073916
  H           1.13488781346390      1.22901354288785     -2.05012744774222
  C           0.42725817164689      2.58994804914265     -0.49279960093138
  C          -0.93386793364139      2.32860913205962     -0.63359834302893
  C           0.85270365505001      3.70744095784806      0.22306409491352
  C          -1.86654290661869      3.20652750707964     -0.10158255507635
  H          -1.26823821146874      1.44835269127280     -1.17368439012578
  C          -0.08224962930850      4.58015768987655      0.75905527111479
  H           1.91279840081306      3.91010358170619      0.33747466492163
  C          -1.44064941732839      4.33077153984784      0.59604998680429
  H          -2.92509054868896      3.01358935813758     -0.22975886209773
  H           0.24877413165377      5.45979961239599      1.29835227245823
  H          -2.16940336296269      5.01553070212566      1.01389883703189
  C           1.45423696792440      1.61564493427853     -1.08574337162462
  Cl         -0.93479837793304     -4.71497566336439      0.25875111525500
*

