#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm2.hess" end

* xyz 1 1
  C          -0.19641996923970     -3.08596615094390      0.24086703927143
  C           0.90450167923142     -2.97619545980307     -0.61661892570390
  C           1.65904559682971     -1.80845406149317     -0.61260388533037
  C           1.33278986027140     -0.75401718502988      0.25569637366416
  C           0.21053246102270     -0.87012940466960      1.09003628175745
  C          -0.54637437173283     -2.03653431690378      1.09751317301945
  H           1.16270704158106     -3.80893608379254     -1.27386777714980
  H           2.52746233059168     -1.72883041433884     -1.27385027008064
  H          -0.07201596377830     -0.04749423644228      1.75382348563347
  H          -1.40901488036998     -2.14307639464350      1.75815277697783
  C           2.16911392388687      0.53428135657967      0.26000515107697
  H           2.24581342837942      0.97644651467325      1.25952263972043
  H           3.17022270021923      0.33969077074885     -0.14745351326890
  H           1.40470348096234      0.96004045930916     -1.73183076479628
  C           0.36260197622115      2.26096025746029     -0.39943789535574
  C          -0.46336053589989      2.72369070632871     -1.46554506462829
  C           0.20723485509286      2.82896089829438      0.90008883638235
  C          -1.40919178666811      3.70902700552686     -1.24066665931963
  H          -0.34292339062861      2.28963519301514     -2.46239632844778
  C          -0.73828053640285      3.81300887946773      1.11356097694381
  H           0.84148574437329      2.49845177151772      1.72527196104020
  C          -1.54381391396592      4.24797853874044      0.04599839186101
  H          -2.04406011203713      4.06489274682470     -2.05506429615224
  H          -0.85910025190272      4.25755922001354      2.10400340071989
  H          -2.28982505992779      5.02841470451833      0.22439908078924
  C           1.32407248743005      1.27589484397032     -0.68355349535390
  Cl         -1.13421314353938     -4.52675318892855      0.23743921672976
*

