#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts11.hess" end

* xyz 1 1
  C          -0.71324062645059     -4.26780224009478      0.16234288538969
  C           0.59673611973685     -3.88257358957931     -0.15583055270673
  C           0.90608384495696     -2.51932641320100     -0.22821599138399
  C          -0.08816026976327     -1.55912717919555      0.00910027930276
  C          -1.39911688406637     -1.95028575972472      0.33876512669372
  C          -1.69609651004221     -3.30705082326018      0.41018368447513
  H           1.93167213999678     -2.23290149478255     -0.47535048597723
  H          -2.17355204279672     -1.21523483046793      0.56813064665110
  H          -2.70593150898969     -3.63047060213817      0.67401415522520
  C           0.30677848780514     -0.15151277822130     -0.08243845938602
  H           1.38253674731913      0.06202703967576     -0.05670698599723
  H          -0.06969056342508      0.40089217377591     -1.23850135849168
  H          -1.62863455211379      0.74026428211058     -0.24971158450973
  C          -0.17743818489057      2.37220938679911     -0.06261754432834
  C          -1.12912690165065      3.33547663715953     -0.44165091266317
  C           1.08239648686327      2.78210715551513      0.41255179628944
  C          -0.82019216036957      4.69054746324395     -0.36431522200175
  H          -2.11370845876410      3.02032334376287     -0.80033612548547
  C           1.38475620208727      4.13668555372399      0.48835398364106
  H           1.82241555947932      2.05123933972198      0.74921481344519
  C           0.43644584468163      5.08897035242214      0.09689604760771
  H          -1.56039514115268      5.43745625713394     -0.66067747605516
  H           2.35922203070086      4.45661991953267      0.86502772289322
  H           0.67881053208071      6.15310476611165      0.16240430387849
  C          -0.55691452533074      0.95831444029611     -0.16400785069992
  H          -0.96467643662921     -5.33120573289184      0.22720341273141
  O           1.58982805318871     -4.75312687199465     -0.39789432748869
  H           1.28054656753859     -5.66432688543333     -0.31866273104903
*

