#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts18.hess" end

* xyz 1 1
  C           0.00675240887718     -3.40040055903839      0.09532746910487
  C           1.27985395609633     -2.82617699286058     -0.18319305176316
  C           1.43525624283106     -1.45649913304950     -0.26363648425132
  C           0.35090724517053     -0.57643059893805     -0.07626006061058
  C          -0.90893194460285     -1.13782769198332      0.21379234268651
  C          -1.08411812720364     -2.50423337058168      0.29963634810731
  H           2.15138651583220     -3.46163782126311     -0.33355917561430
  H           2.42952782547783     -1.05267802109321     -0.48028653697718
  H          -1.77557171720565     -0.49794050372433      0.40476519926589
  H          -2.07318244512639     -2.88894848383288      0.54448043254698
  C           0.58465579211457      0.86470223310963     -0.19372174342200
  H           1.62246270542756      1.19906065656168     -0.07016662347758
  H           0.30659264722244      1.26763022968221     -1.32813401006983
  H          -1.43835348051841      1.54928268313302     -0.37386002566389
  C          -0.19779514739260      3.30735667145989     -0.06349844943506
  C          -1.26151276946797      4.16876879947815     -0.40591583121913
  C           1.01143963073133      3.85214650550298      0.42124594102112
  C          -1.11397550307330      5.54591237775804     -0.28558348351008
  H          -2.20382783062424      3.74934938748661     -0.77095542438416
  C           1.15230531407920      5.22809437013626      0.53856230710049
  H           1.83323122457052      3.20096807665921      0.72896786059495
  C           0.09285184153302      6.07282603443660      0.18258342549831
  H          -1.93807545083806      6.21116583158038     -0.55341527640166
  H           2.08480077800337      5.65091633622212      0.91981168450917
  H           0.20900943937828      7.15565789375115      0.28147788955211
  C          -0.40665750420361      1.88050746161899     -0.19987131096714
  N          -0.16102538889726     -4.74455401466058      0.17514623976766
  C          -1.47236472403475     -5.30615751565044      0.46351718378424
  C           0.97263289449410     -5.63662071153867     -0.01827852644061
  H          -1.40141785295742     -6.39997636766507      0.46757236563939
  H          -1.84374106411377     -4.98584011281779      1.45174850678081
  H          -2.21304008887923     -5.01700154493029     -0.30076625200431
  H           0.63509255179830     -6.67441728480221      0.08474363073402
  H           1.41244299343900     -5.52019903278949     -1.02305036636774
  H           1.76105271206234     -5.45888525735730      0.73247234588592
*

