KINISOT.py v 2.0.1: 2023-08-25 15:36 
  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  REF: I. M. Alecu, unpublished (2011).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_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant_EDG_stretched   -------------------------------------------------------------------------- 
o Endo_TS1_G16_PCM_DCM_def2tzvpp_v_02_EDG              865.1 
o Endo_TS1_G16_PCM_DCM_def2tzvpp_v_01_reactant_EDG_stretched: iso @ 13             8.060e+01  1.088e+00  2.419e+00 
o Endo_TS1_G16_PCM_DCM_def2tzvpp_v_02_EDG: iso @ 13      745.2  1.875e+01  1.033e+00  2.797e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.160942   4.299145   1.052836   0.864785   4.544242   2.130055   9.679487 
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