#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts12.hess" end

* xyz 1 1
  C          -0.28390751734572     -3.44679308292338      0.11614693667323
  C           0.82304473868485     -2.94134788211335     -0.58972351984835
  C           1.02149432136078     -1.57420212852583     -0.71661690493512
  C           0.11497653187095     -0.66242560867308     -0.14521468971070
  C          -0.98824865830087     -1.15945229805379      0.57242098511677
  C          -1.17948291975821     -2.52749730014954      0.69562085003192
  H           1.54354409898079     -3.62486446150014     -1.04509043560676
  H           1.89105556240399     -1.20517490016954     -1.26922368306828
  H          -1.69291247779044     -0.48247699892115      1.06328248629502
  H          -2.03444356670179     -2.90186686647537      1.26423371024630
  C           0.37336267247053      0.77045001707471     -0.31466510344259
  H           1.39365243758452      1.05497245455541     -0.60021899101865
  H          -0.32814876692993      1.26707961385764     -1.26173032406466
  H          -1.55292961610447      1.54044113193864      0.20524753330546
  C          -0.20811367799111      3.24983032178987      0.01617044950827
  C          -1.28448521888818      4.15786727165475      0.03279736556623
  C           1.11528897231549      3.73337780832242      0.06025447299064
  C          -1.04293433139615      5.52735028759732      0.07319033067077
  H          -2.31301554262043      3.78525928482224      0.01094399009406
  C           1.34974263915846      5.10179052626740      0.10108522064465
  H           1.96367019728803      3.04478530821609      0.08849357409243
  C           0.27254749506616      5.99673309848711      0.10376637176138
  H          -1.87903388450050      6.23047439924168      0.08410834480820
  H           2.37448886695975      5.47835379463587      0.14316905392987
  H           0.46384231235947      7.07268105326037      0.14008712861224
  C          -0.51782344340123      1.82564618158795     -0.02109227770888
  C          -0.52448757166809     -4.90256546532468      0.27590476031349
  C          -0.15781627357332     -5.87130571956238     -0.83045038495683
  C           0.63682452691489     -5.86420965996995      0.43014481854803
  H          -1.42638717660889     -5.14079517397790      0.84643535712669
  H           0.29070468788981     -5.45267678281893     -1.73647292180861
  H          -0.84738681845110     -6.69999797227415     -1.01205243457592
  H           0.50748297895187     -6.68783405259949      1.13734617737157
  H           1.64534445177012     -5.44003145927680      0.41300704303814
*

