#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod6.hess" end

* xyz 1 1
  C          -0.01008873089834     -3.32619642289518      0.26929300305551
  C           0.84460709125874     -2.74638037776138      1.25479852484852
  C           1.29610618208832     -1.47067985389741      1.08896132984241
  C           0.92869063970381     -0.69004558080392     -0.06861965154863
  C           0.06518023010122     -1.30209758676529     -1.04407622761128
  C          -0.39486293233260     -2.58131308160566     -0.88692843129720
  H           1.11102260381499     -3.35404274814706      2.12172214090957
  H           1.94971936375917     -1.02023486384477      1.84148138868765
  H          -0.23127810719151     -0.73930059620250     -1.93163546426635
  H          -1.04656427155406     -3.02381980426734     -1.64036566216652
  C           1.41338980993877      0.59447107757178     -0.19769941947926
  H           2.06478838974963      0.95861383319342      0.60771298570260
  H           2.04765662505917      2.04695142603429     -1.59711845223899
  H           0.58146765468849      1.17262406007176     -2.11160258217371
  C           0.26222031998925      2.66103734183447     -0.54575722542628
  C          -1.07429713312456      2.38634044221824     -0.22948854218999
  C           0.81920510320210      3.89278391165825     -0.18372773715371
  C          -1.85386171545871      3.34334229336208      0.41968465130837
  H          -1.51582432971925      1.42139620722625     -0.50017758825067
  C           0.03923001171139      4.84803094188736      0.46884351982968
  H           1.86246772540306      4.11568192889214     -0.42770141371642
  C          -1.29660426808091      4.57486362520449      0.77042052868868
  H          -2.89987433155949      3.12783258346349      0.65262844612672
  H           0.47599563858947      5.81332287420208      0.73772233942653
  H          -1.90646735021949      5.32576120503510      1.27951915377890
  C           1.10643263619763      1.59607151989478     -1.24573428063009
  O          -0.39564608329414     -4.54937484573622      0.50526268426663
  C          -1.25389027648931     -5.26001450267033     -0.39905627402917
  H          -2.22027216588391     -4.74269000754573     -0.49315475062244
  H          -0.76900571774789     -5.36572495317642     -1.38092958429330
  H          -1.40237252170104     -6.24747216643079      0.05132589062223
*

