#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts13.gbw" end

* xyz 1 1
  C          -0.97529505818655     -3.86094105894382      0.27770594315023
  C           0.35339023142105     -3.53456287461435      0.01048124544780
  C           0.73274236445125     -2.20595718837677     -0.07435040149791
  C          -0.21735056113570     -1.19323923424075      0.09765677254903
  C          -1.54687843251374     -1.53081558420377      0.38003079118067
  C          -1.92132498368247     -2.86121066120512      0.46717261834186
  H           1.76985006465204     -1.95376214903485     -0.27925084795553
  H          -2.28756967168425     -0.75999601144548      0.56023971161205
  H          -2.94834243597161     -3.11968202928888      0.69435725433519
  C           0.23081660095051      0.19006305342754     -0.00225954152395
  H           1.30094884435441      0.36788404144572      0.08080334287999
  H          -0.05306807352782      0.72936465723373     -1.19334294873541
  H          -1.64497825286291      1.14614650431722     -0.31667782206781
  C          -0.14982475376609      2.71675348412160     -0.07530143553992
  C          -1.00534244502641      3.69948944102822     -0.58327827872589
  C           1.06643019050981      3.08307115794220      0.51220003560332
  C          -0.63922581253785      5.03370778173289     -0.52536852953615
  H          -1.95453335435422      3.41549888317579     -1.02617619586634
  C           1.42504291374925      4.41722961583621      0.57006739445698
  H           1.72039402903683      2.33817003825057      0.95138844457111
  C           0.57599581138372      5.38992051176702      0.04733089554331
  H          -1.30039749883329      5.79489168591923     -0.92118357725621
  H           2.36079090761385      4.70549736608584      1.03343840653932
  H           0.86102591137748      6.43445659120585      0.09887551447414
  C          -0.58201079190848      1.32292111384934     -0.16731011337286
  H          -1.24568840736976     -4.90899891082855      0.34481351783052
  C           1.36580609874496     -4.62213018606190     -0.17818216348192
  O           1.08625528721553     -5.78820217617869     -0.12290401035756
  H           2.40133945790048     -4.28106312291602     -0.37452604259806
*

