KINISOT.py v 2.0.1: 2025-03-24 14:08 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 298.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o acyclic-reactant                                  -------------------------------------------------------------------------- 
o acyclic-ts                                           130.0 
o acyclic-reactant: iso @ 56 58 57 74 89 92  105 106             8.428e+12  2.386e+00  3.960e+03 
o acyclic-ts: iso @ 56 58 57 74 89 92  105 106         129.1  7.124e+12  1.970e+00  3.983e+03 
                                                    -------------------------------------------------------------------------- 
  KIE @ 298.15 K                                    1.006945   1.183173   1.210814   0.994247   1.434253   1.000227   1.434578 
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