KINISOT.py v 2.0.1: 2023-10-12 09:24 
                                                      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                                             355.0 
o endo-react: iso @ 13                                        9.071e+01  1.086e+00  2.598e+00 
o endo-TS1: iso @ 13                                   329.1  4.693e+01  1.032e+00  2.786e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.078867   1.932693   1.051939   0.932402   2.045147   1.033148   2.112939 
                                                    --------------------------------------------------------------------------
 KIE = 2.112939 /1.099256 = 1.922153711237419