KINISOT.py v 2.0.1: 2023-09-17 14:15 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 226.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo-react                                        -------------------------------------------------------------------------- 
o endo-TS1                                             351.1 
o endo-react: iso @ 13                                        1.003e+02  1.072e+00  2.677e+00 
o endo-TS1: iso @ 13                                   334.9  4.458e+01  1.044e+00  2.793e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.048233   2.249315   1.027238   0.958549   2.321631   1.020573   2.369394 
                                                    --------------------------------------------------------------------------
  KIE = 2.369394 /1.272500  =1.861999214145383