KINISOT.py v 2.0.1: 2023-07-20 03:22 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01 376.2 o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01_reactant: iso @ 14 1.558e+02 1.050e+00 2.669e+00 o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01: iso @ 14 362.0 1.264e+02 1.045e+00 2.723e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.039101 1.232484 1.003965 0.980142 1.260221 1.023244 1.289514 --------------------------------------------------------------------------