#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm4.hess" end

* xyz 1 1
  C           0.20882791954422     -2.59537189294799      0.21953574198077
  C           1.34295146574494     -2.38173968734866     -0.56863457065944
  C           1.95998985843532     -1.13371851010550     -0.57065635873834
  C           1.45390490049531     -0.10070728315368      0.22941256294734
  C           0.30937566659508     -0.31847678931747      1.00646463873481
  C          -0.30593375678048     -1.56865179723410      1.01251694387438
  H           1.74852055098738     -3.19691723442643     -1.17224646940413
  H           2.85532554741122     -0.97346945907129     -1.17854517128783
  H          -0.10057198414859      0.48532245935412      1.62557347191100
  H          -1.18486782747370     -1.74871042733379      1.63519115759882
  C           2.11999731598466      1.28196218154393      0.22609181682221
  H           2.16379031421088      1.71733034740159      1.23117881514211
  H           3.13654865998783      1.20224080757160     -0.18595911932562
  H           1.32107729287475      1.69012709001409     -1.75784868915810
  C           0.25823520834581      2.95368313187436     -0.41484414189964
  C          -0.57101168751619      3.42029428891993     -1.48202652571932
  C           0.06937846580006      3.48496754736700      0.89966292467250
  C          -1.54570556351354      4.37166875478107     -1.24468750021264
  H          -0.42614397779088      3.01383921351095     -2.48727486185172
  C          -0.90588478623574      4.43482951091515      1.12434513497422
  H           0.70040824565780      3.14834075755994      1.72471838110886
  C          -1.70911195664576      4.87336092229000      0.05499621109265
  H          -2.18207499445190      4.73059238441486     -2.05652005985908
  H          -1.05460584046920      4.85002983415148      2.12363624211635
  H          -2.47948636385648      5.62768706781169      0.24317797784739
  C           1.23952503587966      2.00264256679763     -0.70803839741064
  C          -0.48998385527334     -3.94073796834387      0.17361019920289
  F          -1.16456514194274     -4.17669649371609      1.30314776289505
  F           0.38724158799992     -4.93245623130786     -0.00715300301472
  F          -1.36395877985633     -3.97924495197273     -0.84053395438016
*

