#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm3.hess" end

* xyz 1 1
  C          -1.70830986047073     -2.23323639498730      0.24710249085644
  C          -0.33612909514171     -2.50659826659150      0.25124235072899
  C           0.57426381367675     -1.53639628755596      0.65892936848157
  C           0.11096281713512     -0.28171350622104      1.07773864194314
  C          -1.26000766765319     -0.00029565161013      1.05046710153276
  C          -2.16822823682390     -0.98038970734772      0.64917397215611
  H           1.64201672049576     -1.76982693641820      0.66795131100848
  H          -1.62700042346209      0.98416706288706      1.35703490755848
  H          -3.23931389769489     -0.76466602873024      0.64754001496626
  C           1.10887570954983      0.79912259928433      1.51815179903457
  H           0.71581386697227      1.40669758789139      2.34125889309860
  H           2.05634508696205      0.33139931316969      1.82163448516259
  H           1.82961591766881      0.98787231864352     -0.52749633133406
  C           0.70125116578917      2.74837594607243     -0.12774571006856
  C           0.87521613853545      3.18659295378342     -1.47670095974993
  C          -0.01606049847867      3.57832314402376      0.78903643068049
  C           0.35214896306498      4.39793936130385     -1.89094958204154
  H           1.42516409889695      2.55175441497420     -2.17762454001950
  C          -0.53296516582131      4.78549881164340      0.36472650995451
  H          -0.14758042714180      3.26563753572820      1.82691333011925
  C          -0.34921876593378      5.19024502902543     -0.97060023848357
  H           0.48231780353291      4.73658476503698     -2.92112204559430
  H          -1.07810311696246      5.42884747892021      1.05903321763336
  H          -0.76183394070169      6.14988101433513     -1.29716576503446
  C           1.26342659255047      1.52314662858246      0.24663683527280
  C           0.13964883068789     -3.87771526549034     -0.18748402127236
  F           1.47630158647476     -3.95707274194619     -0.18668195047271
  F          -0.28999260659362     -4.15016986887364     -1.42501680346378
  F          -0.33302785426233     -4.82715123096828      0.62457219664651
  H          -2.41545895485100     -3.00267820856496     -0.07388328930012
*

