KINISOT.py v 2.0.1: 2025-05-14 17:21 
  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  REF: I. M. Alecu, unpublished (2011).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-22                                        -------------------------------------------------------------------------- 
o Acyclic-22                                           152.4 
o Acyclic-22: iso @ 1                                         1.317e+00  1.019e+00  1.111e+00 
o Acyclic-22: iso @ 1                                  150.4  1.262e+00  1.016e+00  1.126e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 298.15 K                                    1.013266   1.043420   1.002904   0.987101   1.046654   1.000592   1.047273 
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