#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts19.hess" end

* xyz 1 1
  C          -0.04003309534055     -2.84857775333624      0.01953236224369
  C           1.25108041550512     -2.34236730370205     -0.17458918453457
  C           1.42973492919986     -0.95595066386124     -0.20401089865459
  C           0.33009934186572     -0.09116322688936     -0.07089594058679
  C          -0.95726243789654     -0.62177702567789      0.12641777825738
  C          -1.14876619275845     -2.00330413594286      0.18014641863211
  H           2.43972337671888     -0.56042984722041     -0.33962129015556
  H          -1.82741806133781      0.02279408052929      0.26580393626408
  C           0.58036928373206      1.34474544023555     -0.10835820053803
  H           1.62879142631201      1.66197165762873     -0.03058277872378
  H           0.14774136393954      1.99644690748569     -1.35159810055153
  H          -1.42134320952326      2.05762435638934     -0.41425565565258
  C          -0.13922032780177      3.81389738201964     -0.09916761675921
  C          -1.11849500627738      4.70385924866800     -0.57105978944423
  C           1.01066757304941      4.30955801478031      0.53974287274957
  C          -0.94236186012352      6.07677163067421     -0.42017133279694
  H          -2.02004690574708      4.32145901631581     -1.05948194154892
  C           1.17959676162153      5.68197661339833      0.68897097850240
  H           1.76584463110937      3.63469073310296      0.95243066340334
  C           0.20690313641664      6.56434914152540      0.20584133270994
  H          -1.70432959001420      6.76786212858593     -0.78817814953412
  H           2.06713781721839      6.06841327722328      1.19570780899528
  H           0.34342292826113      7.64198176100013      0.32937161144889
  C          -0.37512588331970      2.36741108372453     -0.29384732161535
  N          -0.24076174840703     -4.31549366846054      0.06629435214844
  O           0.26427322246293     -4.94243534016911     -0.83034433563488
  O          -0.88825532172462     -4.72758661027482      0.99529883512588
  C          -2.48622207883642     -2.50953894529553      0.38187086432892
  N          -3.58718785131638     -2.83094900251402      0.52154419822930
  C           2.40592067116537     -3.19708000314766     -0.31866480088988
  N           3.37839869184674     -3.81245094679540     -0.42105367541828
*

