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 @ 13                                        1.114e+02  1.057e+00  2.645e+00 
o endo-TS1: iso @ 13                                   384.7  4.239e+01  1.037e+00  2.762e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.054327   2.627549   1.019747   0.957588   2.705186   1.031822   2.791270 
                                                    --------------------------------------------------------------------------
  KIE =  2.791270/ 1.224867 = 2.278835171492089