KINISOT.py v 2.0.1: 2025-04-15 08:51 
  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  REF: I. M. Alecu, unpublished (2011).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 @ 75                                                1.315e+00  1.021e+00  1.118e+00 
o TS-cyclic: iso @ 75                                  757.9  1.272e+00  1.019e+00  1.125e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 298.15 K                                    1.006451   1.033823   1.002135   0.993868   1.036319   1.009664   1.046334 
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