#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts14.gbw" end

* xyz 1 1
  C           0.00127178940186     -3.44361641231723      0.01769596817725
  C           1.24438747156939     -2.93939920804814     -0.31873078501969
  C           1.40063008879484     -1.56440646194732     -0.35813866965189
  C           0.31793316088257     -0.72417830971749     -0.07248565273077
  C          -0.92434191155500     -1.26885747668538      0.27895780557497
  C          -1.08670731886883     -2.64036127178513      0.32326981834381
  H           2.05949031644898     -3.61561980127582     -0.53796196039662
  H           2.36528851350903     -1.14067542576810     -0.61562499604860
  H          -1.75890085726017     -0.63167371857506      0.54547103387481
  H          -2.02844587188007     -3.09590057448332      0.59785874045710
  C           0.54378393339189      0.71294747248138     -0.12768258647962
  H           1.57912727297770      1.04805957532440     -0.12980164093315
  H           0.04899957160893      1.28754943550262     -1.28913769395934
  H          -1.47434452809268      1.38293144981809     -0.25893610144370
  C          -0.21109243301666      3.15595621001004     -0.06013955086889
  C          -1.22987400338620      4.01901731618438     -0.47305031986659
  C           0.97102644745721      3.67428011759597      0.47782276263772
  C          -1.06016914703302      5.38968592145437     -0.36938251236402
  H          -2.15234140448749      3.61539492127045     -0.87804404366761
  C           1.13319831142015      5.04410436843932      0.58232641006069
  H           1.75278037976288      3.01869100745693      0.84507414548346
  C           0.12163362451020      5.90007882401957      0.15428662606625
  H          -1.84861990659441      6.05887863277752     -0.69155761635651
  H           2.04285001170236      5.44888137345056      1.00915047182053
  H           0.25308990744849      6.97241153768503      0.24187469886433
  C          -0.43929771269102      1.71289972285334     -0.20064839219846
  N          -0.17520049527594     -4.92253341956793      0.06733830120176
  O          -1.27524523844518     -5.32976499866283      0.36585721037509
  O           0.79509180770016     -5.59576581749029     -0.19641985095228
*

