#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm8.hess" end

* xyz 1 1
  C          -0.29676233418597     -3.15797050842459      0.18413634555261
  C           0.81188207627849     -3.03377217320357     -0.67379774738187
  C           1.58901606597658     -1.88254416743477     -0.65117366064721
  C           1.28523788026177     -0.84144050481993      0.24161401727221
  C           0.16311845717637     -0.95214276659354      1.07742672188657
  C          -0.61221023104365     -2.10480376167430      1.06190734519906
  H           1.05874062904835     -3.85285455110562     -1.35257829887379
  H           2.45674190278130     -1.80296660806663     -1.31338624179199
  H          -0.10063417241332     -0.13647552906883      1.75725667114719
  H          -1.47288328025166     -2.20108079153622      1.72706390574159
  C           2.14865027322985      0.42966961271163      0.26989924772389
  H           2.21872979908428      0.86261373075821      1.27376041497656
  H           3.14981338382364      0.22083647175465     -0.12947765915332
  H           1.40635651162228      0.87326181395737     -1.72572760724405
  C           0.35139748174506      2.16526514491197     -0.39239508586966
  C          -0.46734012484910      2.63265369306558     -1.46071050177755
  C           0.18964437863189      2.72813402594613      0.90754591158842
  C          -1.41387405368821      3.61822209488354     -1.23740575613301
  H          -0.34189749766609      2.20223502699582     -2.45850120466156
  C          -0.75620197282972      3.71266909734228      1.11971672681661
  H           0.81924411374211      2.39426298150457      1.73492650905588
  C          -1.55561654960626      4.15261021108488      0.05004848063996
  H          -2.04363560556527      3.97745702136757     -2.05429183424938
  H          -0.88146736417575      4.15348271942833      2.11128367151823
  H          -2.30181626276643      4.93306457328717      0.22724747141517
  C           1.31531534296375      1.17941991359272     -0.67559005645916
  C          -1.10258097083527     -4.34919535329940      0.15992194736116
  C          -1.77779896038930     -5.35259106605050      0.13970751558626
  H          -2.37830330609971     -6.24738819131456      0.12211452076118
*

