KINISOT.py v 2.0.1: 2023-10-11 09:28 
                                                      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 exo-react2                                        -------------------------------------------------------------------------- 
o endo-TS1                                             405.6 
o exo-react2: iso @ 14                                        1.054e+02  1.058e+00  2.657e+00 
o endo-TS1: iso @ 14                                   389.4  8.994e+01  1.047e+00  2.742e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.041728   1.171949   1.010126   0.969161   1.195184   1.024836   1.224867 
                                                    --------------------------------------------------------------------------
 KIE =  2.791270/ 1.224867 = 2.278835171492089