#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts19.gbw" end

* xyz 1 1
  C          -0.03736448567303     -2.81813601315223      0.01300937310840
  C           1.24360698835629     -2.31565949527414     -0.18999388538557
  C           1.42332398135096     -0.93772798711473     -0.20839027329555
  C           0.32991231945846     -0.08013241593558     -0.05453401888003
  C          -0.94896749811865     -0.60724868262072      0.15414782597543
  C          -1.13710320364993     -1.98126718231434      0.19517773931321
  H           2.42260516813334     -0.54215002328591     -0.35146809066358
  H          -1.80767156498905      0.03262681218794      0.31383326141880
  C           0.57770853455838      1.35167161559346     -0.08474249892435
  H           1.61380255170928      1.67184912379936      0.01033602653690
  H           0.17567979875908      1.98669589824302     -1.32792374206152
  H          -1.40927496970527      2.05281812196025     -0.42969609749255
  C          -0.14360597934245      3.80611810739952     -0.09477727730268
  C          -1.08610427379901      4.69078395604179     -0.62526474199141
  C           0.96963520627059      4.29615927437554      0.59405625076096
  C          -0.90632516467258      6.05701141816473     -0.48550455701057
  H          -1.95672910938403      4.30906939954347     -1.14900099701400
  C           1.14127135069519      5.66191915536281      0.73365006637689
  H           1.68659564374308      3.62378797655963      1.05259879718718
  C           0.20800383462534      6.54061921835295      0.18970874685762
  H          -1.63552813988747      6.74359612220822     -0.89794825428416
  H           1.99572635126094      6.04534505125572      1.27803633284988
  H           0.34606709920064      7.60941580363488      0.30526731362751
  C          -0.37678840473735      2.36467726095249     -0.28380666663963
  N          -0.23774316116292     -4.28151522908520      0.04853261101122
  O          -0.01617313425059     -4.86328719234393     -0.98542635386085
  O          -0.60148782385689     -4.73362845666996      1.10666509945157
  C          -2.45932248940229     -2.50719263647012      0.41147377296307
  N          -3.53489483780170     -2.87738496794548      0.56521379893807
  C           2.37950305708703     -3.18359447760194     -0.35532227120090
  N           3.31451835522459     -3.83853155582152     -0.47481429036937
*

