KINISOT.py v 2.0.1: 2023-10-08 07:47 
                                                      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                                             668.8 
o endo_react: iso @ 14                                        1.188e+02  1.074e+00  2.684e+00 
o endo_TS1: iso @ 14                                   642.3  9.247e+01  1.048e+00  2.796e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.041243   1.284614   1.025162   0.959788   1.316111   1.092079   1.437298 
                                                    --------------------------------------------------------------------------
 KIE = 5.010272/1.437298 = 3.485896452927646