KINISOT.py v 2.0.1: 2023-09-28 10:54 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 226.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             716.3 
o endo_react: iso @ 13                                        8.747e+01  1.081e+00  2.494e+00 
o endo_TS1: iso @ 13                                   636.3  2.156e+01  1.033e+00  2.798e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.125678   4.057654   1.046869   0.891242   4.261641   1.331834   5.675797 
                                                    --------------------------------------------------------------------------
 KIE = 5.67579 / 1.081965 = 5.245816639170398