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

* xyz 1 1
  C          -0.38166635992549     -3.68816661275453      0.14893844993164
  C           0.28370878073011     -3.18109972902700      1.28690743019347
  C           0.83756514463708     -1.94107998452181      1.22394594798147
  C           0.75908603519256     -1.14738329992126      0.03237938888552
  C           0.07631726891860     -1.69438140226154     -1.10086464428851
  C          -0.48094156993962     -2.93347709181066     -1.04652456622223
  H           0.33311795699826     -3.79502826974294      2.17714346918218
  H           1.35149739702144     -1.53207442504939      2.08716405252655
  H           0.00340887741920     -1.11887188895165     -2.01469868615364
  H          -0.99661669374301     -3.35247495807675     -1.90394354155527
  C           1.34311479364017      0.09616295437788      0.02481775257214
  H           1.84224791745712      0.40711344791074      0.94095373092375
  H           2.31786411698152      1.52311393658394     -1.18275188241268
  H           0.94495105894443      0.74585485505757     -1.99229079067655
  C           0.40184274896766      2.21040893455048     -0.47646896695467
  C          -0.97859141914067      2.02907039928097     -0.49311506707361
  C           0.94208450998441      3.36169137596968      0.08849037526955
  C          -1.81597835324149      3.00674110845602      0.02494104119429
  H          -1.40480449159682      1.12791066514261     -0.92406177719000
  C           0.10349044727824      4.33700584237329      0.61028733478722
  H           2.01744234254416      3.50776741756252      0.10274290875882
  C          -1.27460773307509      4.16061943047228      0.57854520676092
  H          -2.89058109416722      2.86899369568973     -0.00358774880193
  H           0.52676857344295      5.23935805506996      1.03583744670612
  H          -1.92769171743612      4.92482343361910      0.98354310783972
  C           1.31275300931161      1.11985993843853     -1.03891933712174
  O          -0.90100384228068     -4.89487659868424      0.26038331331027
  H          -1.33896535492328     -5.18017672975353     -0.55387624837281
*

