KINISOT.py v 2.0.1: 2023-09-28 11:11 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 250.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             559.8 
o endo_react: iso @ 13                                        7.036e+01  1.085e+00  2.595e+00 
o endo_TS1: iso @ 13                                   517.1  2.237e+01  1.038e+00  2.805e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 250.15 K                                    1.082547   3.145797   1.045024   0.925315   3.293013   1.079581   3.555073 
                                                    --------------------------------------------------------------------------
 KIE = 3.555073  / 1.304949 = 2.724300336641509