#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm9.hess" end

* xyz 1 1
  C          -0.21333160567242     -3.33069261927322      0.25909241582612
  C           0.92668818166790     -3.21725598269791     -0.55073083243064
  C           1.64179699940560     -2.02363811272655     -0.57418824393304
  C           1.23312786274009     -0.94275582476017      0.21794945249085
  C           0.08455992306047     -1.05546985926860      1.01213934686417
  C          -0.63308732005649     -2.24748257511537      1.04431932811048
  H           1.24989974152901     -4.06792873937929     -1.15470929459970
  H           2.53702368414306     -1.94375482957935     -1.19775460614271
  H          -0.25060254829939     -0.21212245667764      1.62343887624488
  H          -1.52033649305833     -2.34492545293561      1.67360567436532
  C           2.00794035844682      0.38066935316752      0.18799296995409
  H           2.11148279535654      0.81419662508600      1.18965577538714
  H           3.00607496955157      0.21488604070055     -0.24380011712910
  H           1.21024594527623      0.85801484979430     -1.78225130702130
  C           0.30483903467079      2.22354121175989     -0.42573031921677
  C          -0.49367273285536      2.76842070156603     -1.48056399309531
  C           0.18934028128615      2.77119500466789      0.89153204750673
  C          -1.36831256678710      3.80861888630139     -1.22876651135919
  H          -0.40467610741637      2.35010468160256     -2.48746415195491
  C          -0.68667614261422      3.80958173686005      1.13044712647797
  H           0.79861667431886      2.37590327245137      1.70689118615078
  C          -1.46155712168091      4.32311188011777      0.07312854021068
  H          -1.98056641666024      4.22734038281591     -2.03045939874792
  H          -0.77922982220318      4.23719225762867      2.13128723535677
  H          -2.15306279146804      5.14769654870523      0.27282571537334
  C           1.18091821670892      1.18085697062115     -0.73272045545361
  C          -0.96193677069722     -4.56695087394565      0.28096817662747
  N          -1.56582182869274     -5.55315166748698      0.29555239413741
*

