KINISOT.py v 2.0.1: 2023-09-28 16:03 
                                                      Unable to find vibrational scaling factor for RB3LYP/def2QZVPP; using value of 1.0 

                                                     Temp = 250.15K / 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 @ 14                                        5.743e+01  1.081e+00  2.737e+00 
o endo_TS1: iso @ 14                                   748.0  5.721e+01  1.060e+00  2.798e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 250.15 K                                    1.022064   1.003861   1.019663   0.978241   1.023420   1.056110   1.080845 
                                                    --------------------------------------------------------------------------
 KIE = 5.145356/1.080845 =4.760493872849484