KINISOT.py v 2.0.1: 2023-09-28 11:04 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 195.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             559.8 
o endo_react: iso @ 14                                        2.280e+02  1.066e+00  2.682e+00 
o endo_TS1: iso @ 14                                   536.7  1.770e+02  1.038e+00  2.798e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 195.15 K                                    1.042995   1.288084   1.027325   0.958269   1.322578   1.086806   1.437385 
  
  KIE  = 5.262780 /1.437385 = 3.661357256406599
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