#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts2.hess" end

* xyz 1 1
  C          -0.04295778808729     -3.79242850143046      0.03364640603062
  C           1.20106839182693     -3.26991971875909     -0.33723848284415
  C           1.36589117144328     -1.89237626748080     -0.39830869396857
  C           0.29650348897717     -1.02826597899784     -0.09797518831499
  C          -0.94469803050827     -1.57236975075630      0.28589925821863
  C          -1.11635537109262     -2.94697277398909      0.35023983854884
  H           2.02511896605679     -3.94672963593816     -0.57065898360965
  H           2.33834003707468     -1.48185978352333     -0.68622361711374
  H          -1.78212751672976     -0.92695568579605      0.56335258467094
  H          -2.07073580653448     -3.37999548997457      0.65584006825725
  C           0.53307728113246      0.41373409870653     -0.17950273761356
  H           1.58024405223554      0.74057029842765     -0.19265924574856
  H           0.06308526643037      0.93148637173997     -1.29112466263222
  H          -1.49109092195885      1.10583390059792     -0.22080291073279
  C          -0.20861917803781      2.86950544449822     -0.04865286515840
  C          -1.27423360450572      3.73733747389422     -0.35103547469792
  C           1.02624583486766      3.39801650052819      0.37513008891881
  C          -1.10300018700752      5.11469178954049     -0.25033266982124
  H          -2.23848631484630      3.32932328011667     -0.66896078224225
  C           1.19045713667458      4.77415382255347      0.47481993494514
  H           1.85383672660647      2.74050534428457      0.65407252437227
  C           0.12890512777072      5.63067317076096      0.15873207141431
  H          -1.93054465851454      5.78735255054557     -0.48747081377941
  H           2.14471860591188      5.18590209733857      0.81186627956722
  H           0.26330051396926      6.71250237258798      0.24282857156176
  C          -0.44427956761901      1.43053277407605     -0.17034463012858
  Cl         -0.25724574553568     -5.49167221355137      0.11672317190024
*

