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  REF: I. M. Alecu, unpublished (2011).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 @ 14                                        1.052e+02  1.078e+00  2.694e+00 
o endo-TS1: iso @ 14                                   337.0  8.584e+01  1.060e+00  2.795e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.041747   1.225027   1.016369   0.963758   1.250050   1.017959   1.272500 
                                                    --------------------------------------------------------------------------
 KIE = 2.369394 /1.272500  =1.861999214145383