#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm12.hess" end

* xyz 1 1
  C          -0.31124544909213     -2.50301639640213      0.30690264311074
  C           0.92126132515952     -2.39197412599996     -0.39131450422317
  C           1.65226896779650     -1.23286403765141     -0.33094390805067
  C           1.19343143483239     -0.10562378968277      0.42593495233170
  C          -0.05319235986931     -0.22946214070151      1.12032726871913
  C          -0.77484478126216     -1.39450658888645      1.06369118801469
  H           1.29602830170340     -3.23181399948311     -0.97970572023618
  H           2.60424578047572     -1.15866503539015     -0.86636440236764
  H          -0.43534436444807      0.62792661087102      1.68092259443098
  H          -1.72486333733243     -1.47503629565221      1.59656007250679
  C           2.24212489468029      0.94588701166095      0.91987708848389
  H           1.99368515646088      1.37443434888186      1.89313764959562
  H           3.27650390896669      0.60984041761778      0.81682719064443
  H           1.99555360187481      1.20538333154344     -1.21914383895170
  C           0.43048234228675      2.39301538677430     -0.26023623842373
  C          -0.40000697805794      2.47920665294094     -1.38744115794170
  C           0.23114043364922      3.27196539751386      0.81295170937718
  C          -1.42620723581985      3.41940619608964     -1.43365284299563
  H          -0.24110978999143      1.80261951275718     -2.23283688807779
  C          -0.79603039215696      4.21515426167832      0.76331190127213
  H           0.89074990382645      3.24637418042591      1.68441851313011
  C          -1.62726229545737      4.28639140419557     -0.35582186005300
  H          -2.06937675592221      3.48157850471629     -2.31514715544865
  H          -0.94005596187052      4.90496668450429      1.59876133362441
  H          -2.42945539222577      5.02809711677374     -0.39360580065285
  C           1.51630790110621      1.37691428065029     -0.25073497005129
  C          -1.12139333097243     -3.72419100449692      0.26314366699432
  C          -1.16497508434738     -4.57430952126815     -1.00376622897089
  C          -0.44679490870132     -5.09110104176980      0.18239844938231
  H          -2.04552877250537     -3.67489989817659      0.84426077628794
  H          -0.58759261939224     -4.22074509656845     -1.86283445897310
  H          -2.14066083057359     -4.99694045604894     -1.25752014621031
  H          -0.90890148369109     -5.88293939809548      0.77767140277567
  H           0.64678601087075     -5.10928515332139      0.17641316094626
*

