KINISOT.py v 2.0.1: 2023-09-29 07:02 
                                                      Unable to find vibrational scaling factor for RB3LYP/def2QZVPP; using value of 1.0 

                                                     Temp = 226.15K / Vib. scale factor = 1.0 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             569.0 
o endo_react: iso @ 14                                        1.162e+02  1.077e+00  2.683e+00 
o endo_TS1: iso @ 14                                   545.8  9.315e+01  1.047e+00  2.800e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.042596   1.247063   1.028275   0.958050   1.280860   1.058545   1.355848 
                                                    --------------------------------------------------------------------------
 KIE =    4.297362 / 1.355848 = 3.169501301030794