#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts22.hess" end

* xyz 1 1
  C           0.09156705711596     -2.67552856858773     -0.01800800572060
  C           1.37469200351455     -2.07901986626781     -0.17796987647243
  C           1.51151504059498     -0.70631055677390     -0.22377509252049
  C           0.39827157868543      0.15220885911675     -0.11583004502480
  C          -0.87288814321801     -0.43414903335097      0.05453754740640
  C          -1.03084247473764     -1.80404000180837      0.10351718273268
  H           2.26383579711386     -2.70521569887129     -0.25025402370715
  H           2.51325671220529     -0.28096930846992     -0.34347679214200
  H          -1.76430457102668      0.18900310835689      0.17361283988708
  H          -2.02959379505320     -2.21791156749793      0.24217707227567
  C           0.61586161974041      1.59938051387618     -0.19223452291337
  H           1.63181022624851      1.94808758327255      0.03249469229234
  H           0.43983359202450      2.00842100539840     -1.33749960529961
  H          -1.39690660827016      2.25521397938982     -0.53123681374034
  C          -0.22097004513388      4.02463896176042     -0.07862098616328
  C          -1.26899138401506      4.87518473481053     -0.49119224507434
  C           0.93362021010139      4.58034387467234      0.51576082393540
  C          -1.15820586145630      6.25163043413627     -0.33175914231139
  H          -2.16968174464119      4.44722251736135     -0.94141545634512
  C           1.03803610605177      5.95558287392712      0.67145130562152
  H           1.73933631297681      3.93709059914988      0.87772347749937
  C          -0.00436076585465      6.78920392438004      0.24546039557914
  H          -1.96975341707406      6.90818359760743     -0.65384763520317
  H           1.92760992791639      6.38645341471766      1.13694142377023
  H           0.08258297449618      7.87153875673423      0.37512862211970
  C          -0.39081797572668      2.59913433919847     -0.25936715555727
  N          -0.05721409387998     -4.01595692872913      0.02882061973553
  C          -1.33136725087345     -4.68915548361387      0.29389024470973
  C           1.04050452458405     -4.96496925527242     -0.17436062507118
  H          -1.83662098953118     -4.24175835289848      1.16457254614841
  H          -2.00726360347140     -4.59622276029510     -0.57617490485879
  C          -0.92334253388897     -6.14320331229779      0.54229033607682
  H           1.62726959738318     -4.69818449381348     -1.06762327732164
  H           1.72366413574717     -4.95871494901842      0.69499314719681
  C           0.32701277845800     -6.31029466572847     -0.32542103384379
  H          -0.66979873460041     -6.28354893610014      1.60552395312263
  H          -1.72601823481966     -6.85121388026095      0.29272393516085
  H           0.04163526858478     -6.46588217211145     -1.37841469715566
  H           0.95981476372938     -7.15568028609870     -0.02101822882387
*

