KINISOT.py v 2.0.1: 2023-09-28 16:12 
                                                      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                                             764.5 
o endo_react: iso @ 13                                        9.318e+01  1.073e+00  2.474e+00 
o endo_TS1: iso @ 13                                   673.8  2.165e+01  1.032e+00  2.781e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.134624   4.303882   1.040253   0.889677   4.519427   1.463648   6.614851 
                                                    --------------------------------------------------------------------------
 KIE = 6.614851 / 1.108922 = 5.965118376224838