#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm11.hess" end

* xyz 1 1
  C          -0.96459780647993     -3.24734230457093     -1.07918306865183
  C           0.09338033942313     -3.48448883208535     -0.18689451609988
  C           0.44025998079251     -2.50229721043292      0.74844048307841
  C          -0.27922352013768     -1.30486593551919      0.79770306425589
  C          -1.31702443414987     -1.05531830262163     -0.11132627278007
  C          -1.66141630639691     -2.04181746074365     -1.03571294587419
  H           1.25402624751801     -2.71440666805799      1.44683582914983
  H          -1.86375282853751     -0.10871962594172     -0.08986658523264
  H          -2.48227174515235     -1.86996046352567     -1.73652927747888
  C           0.10745554443860     -0.22748089950934      1.82298725800924
  H          -0.77005025696922      0.26220876221335      2.26004683691055
  H           0.72556821457007     -0.67200698287349      2.61535507082033
  H           1.87755267135904      0.20241924053784      0.63782078709681
  C           0.55548558022155      1.85242605807820      0.35652018438990
  C           1.44958166742535      2.43218692749421     -0.59217156551302
  C          -0.64438998909418      2.54594516947349      0.69899144883044
  C           1.15551126834010      3.65200828383740     -1.17538495798679
  H           2.36894444019136      1.90039842514687     -0.85397667354527
  C          -0.92796769303209      3.76319166998367      0.11144573453180
  H          -1.33511226233475      2.12174461478314      1.43052924719312
  C          -0.03049992103526      4.31093975608986     -0.82260311247911
  H           1.83752100878837      4.09896217963539     -1.90200271495827
  H          -1.84138417659803      4.30286262259602      0.37136304482130
  H          -0.26322510359672      5.27638918547120     -1.28222833603151
  C           0.90901415381614      0.62473540302393      0.93643615208735
  H          -1.24007378628260     -4.01348889142548     -1.81071254069485
  O           0.80624979103218     -4.62424202618549     -0.17705775625859
  H           0.47061788188068     -5.24422610487172     -0.83642918759006
*

