KINISOT.py v 2.0.1: 2025-05-17 07:11 
  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  REF: I. M. Alecu, unpublished (2011).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-28                                        -------------------------------------------------------------------------- 
o Acyclic-28                                           112.8 
o Acyclic-28: iso @ 1                                         1.316e+00  1.018e+00  1.114e+00 
o Acyclic-28: iso @ 1                                  111.6  1.261e+00  1.017e+00  1.126e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 298.15 K                                    1.010513   1.042854   1.001729   0.989737   1.044805   1.000257   1.045074 
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