#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts9.gbw" end

* xyz 1 1
  C          -0.03966021559717     -3.93058140308204      0.03217092959880
  C           1.18709673717005     -3.40455842349476     -0.37117150394528
  C           1.34999150357491     -2.03269844293658     -0.42156865692804
  C           0.29039222132376     -1.18399792294085     -0.08080748869332
  C          -0.93328288519395     -1.72331453813795      0.33683821814409
  C          -1.09881904555164     -3.09218024368582      0.39193709076822
  H           1.99907222547958     -4.06965703766775     -0.63666801113880
  H           2.30229755528961     -1.61557334456692     -0.73106283330536
  H          -1.74983781862012     -1.08187327594577      0.64607937290028
  H          -2.03612375462500     -3.52286929035146      0.72100524263747
  C           0.52071875693983      0.25172629867909     -0.15241332319498
  H           1.55636870825367      0.58120632918405     -0.20619929139325
  H          -0.01911146934679      0.81450322470624     -1.27843891303052
  H          -1.49743562611332      0.93304802703727     -0.17478835241951
  C          -0.21711141974670      2.69804357508374     -0.04345195359504
  C          -1.25593345548043      3.56466834305510     -0.39557515639730
  C           0.99771591099532      3.21303508205412      0.42080795051812
  C          -1.07504278560813      4.93475420075786     -0.30552273441145
  H          -2.20273936798666      3.16370448923118     -0.74290365362673
  C           1.17112184493504      4.58221879354122      0.51207966231467
  H           1.79763316600633      2.55478044718684      0.74100544228902
  C           0.13845225025559      5.44125442453615      0.14433297886051
  H          -1.87889665323303      5.60657011646058     -0.58071745064831
  H           2.10650608218021      4.98449471079017      0.88181052515326
  H           0.27912486712500      6.51324393305575      0.22138229563216
  C          -0.45910781076152      1.25755480585756     -0.16541526299794
  C          -0.21643712838216     -5.35944517071056      0.09213983798438
  N          -0.35960126328228     -6.49824364769648      0.13862611892485
*

