#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts14.hess" end

* xyz 1 1
  C          -0.00074479887458     -3.46765037516755      0.02378208398372
  C           1.25874124529382     -2.96163285966095     -0.27677413193095
  C           1.41512232117902     -1.58000594690426     -0.32621614174838
  C           0.31737844448595     -0.73242132722788     -0.08357471909964
  C          -0.94250928124328     -1.28053357673742      0.23081549368946
  C          -1.10549095357812     -2.65863931804789      0.28311543800590
  H           2.08562513732701     -3.64887167832939     -0.46205629784452
  H           2.39651803831526     -1.15635321432759     -0.55784671757809
  H          -1.79630511789389     -0.63897948424330      0.46123383265234
  H          -2.06213939350997     -3.12180698408487      0.52934740953119
  C           0.54637091520105      0.70949138107462     -0.14079098187410
  H           1.59238548484741      1.04174782656230     -0.13669358277177
  H           0.05511171921929      1.29188927106936     -1.30517491867448
  H          -1.47951791145562      1.39160425179541     -0.27367725759346
  C          -0.20632035418939      3.16710807458554     -0.06766143277173
  C          -1.25005552970938      4.03410939116358     -0.43394344621955
  C           0.99829111150736      3.69283973648158      0.43327227718438
  C          -1.08570941577790      5.41171660068595     -0.31783469764836
  H          -2.19277502986765      3.62812935486942     -0.81330175868212
  C           1.15579884352878      5.06950525179822      0.54833524899124
  H           1.80797455347899      3.03595137149455      0.76257635336188
  C           0.11711843824901      5.92757601637321      0.16946149973173
  H          -1.89755841469892      6.08433332963196     -0.60437243997686
  H           2.08719150060344      5.47900667187694      0.94664105475942
  H           0.24549880551187      7.00903665331966      0.26566690276187
  C          -0.43416585586013      1.71964234172939     -0.21483210097164
  N          -0.17703255648756     -4.94768677155042      0.08274718599494
  O          -1.28471652157486     -5.35108940655966      0.34475615628927
  O           0.80191635597298     -5.61900159167056     -0.13775869155164
*

