#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod9.hess" end

* xyz 1 1
  C          -0.35834436930279     -3.04804117429583      0.22157273697149
  C           0.08248035757882     -2.32732159034851      1.34176311970123
  C           0.69421217860765     -1.09188173165768      1.16490237359593
  C           0.86404514627410     -0.56005468098182     -0.12331523963505
  C           0.43289885411156     -1.29389919259645     -1.24010757378771
  C          -0.17521205237467     -2.53303229516378     -1.07084752442229
  H          -0.05406847703521     -2.74226075899821      2.34262844125029
  H           1.04030572481797     -0.53105835534194      2.03785631293601
  H           0.59099324883157     -0.91772713038008     -2.25375101464433
  H          -0.50280890232056     -3.11244160694595     -1.93666068419071
  C           1.53045352337332      0.74965210544418     -0.26063333741587
  H           2.22833295724777      1.00223474584153      0.54283418269916
  H           2.42547145390496      2.23019388940714     -1.59288280093524
  H           1.12010139399276      1.19019312270907     -2.36453830667392
  C           0.51369251741454      2.16269240766567     -0.45473626085829
  C          -0.86810938592644      1.88321408179403     -0.64696293200247
  C           0.89575115992567      3.23487016867297      0.39958686964126
  C          -1.82533787436710      2.66204892452460     -0.02541660755524
  H          -1.16569492924695      1.04010746415940     -1.27592141582355
  C          -0.06820888756406      4.00288279858939      1.02794901999961
  H           1.95831186562800      3.45086618467785      0.54982554291487
  C          -1.42393850049905      3.71566332770440      0.81190697150578
  H          -2.88701561243350      2.45428537163621     -0.17597613945626
  H           0.22301041402559      4.82668140184069      1.68335424216480
  H          -2.18574883193966      4.32152195598629      1.31188466369993
  C           1.57204637484785      1.56418844266052     -1.44298207490875
  C          -0.99865690821161     -4.33158824862213      0.39854327148046
  N          -1.51598947936052     -5.35614714798155      0.53985694374886
*

