#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm14.hess" end

* xyz 1 1
  C           0.04226760364218     -2.98139879626255      0.25817513478635
  C           1.23354659233668     -2.84102760754625     -0.44644526272109
  C           1.87055992057068     -1.60209908166507     -0.43591001983992
  C           1.31858487968971     -0.53403802984228      0.28344746230848
  C           0.10997726916749     -0.70158830248373      0.97288626087954
  C          -0.53428562261151     -1.93675310311165      0.97209586585745
  H           1.64280061472907     -3.69782223451532     -0.98397014022014
  H           2.81383688618672     -1.47687747359300     -0.97518640052890
  H          -0.33174022665485      0.13176696653005      1.52758578979374
  H          -1.46929814406146     -2.10536477837990      1.50818682322171
  C           2.00564922742128      0.83632406703772      0.29012232640426
  H           2.02836203169598      1.27294045505531      1.29575662921563
  H           3.03620919268578      0.73176570221025     -0.08209869010887
  H           1.29796775160475      1.27925845443908     -1.72292028946577
  C           0.28692343450712      2.62665556112482     -0.42600602279314
  C          -0.46086957606798      3.15295284508852     -1.52786450432987
  C           0.07814231239927      3.16988719260952      0.88266755004023
  C          -1.37397636816041      4.17079423421258     -1.32948447346831
  H          -0.30115262927022      2.73780513314515     -2.52733180760903
  C          -0.83583063288450      4.18581977643586      1.06774480440506
  H           0.64530928773865      2.78720780456466      1.73362623666385
  C          -1.55746293324456      4.68136356727656     -0.03523760933291
  H          -1.94741849519458      4.57544912789127     -2.16632062579410
  H          -1.00007178536777      4.60949092447862      2.06102882870514
  H          -2.27986772731024      5.48851975574932      0.12213699920237
  C           1.20304874498329      1.60666692575846     -0.67856326310507
  N          -0.64451037599407     -4.30010962024662      0.24533765930836
  O          -0.11164707523704     -5.18834804113954     -0.37724774314969
  O          -1.68471769729947     -4.38041988482187      0.85642500167461
*

