KINISOT.py v 2.0.1: 2025-04-14 10:12 
  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  REF: I. M. Alecu, unpublished (2011).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 R1                                                -------------------------------------------------------------------------- 
o TS-cyclic                                            762.8 
o R1: iso @ 29 30 33 34 88 90 91 106                          6.646e+12  2.415e+00  3.213e+03 
o TS-cyclic: iso @ 29 30 33 34 88 90 91 106            614.9  2.176e+12  2.058e+00  3.972e+03 
                                                    -------------------------------------------------------------------------- 
  KIE @ 298.15 K                                    1.240516   3.054139   1.173341   0.808912   3.595978   1.282201   4.610768 
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