KINISOT.py v 2.0.1: 2023-07-20 03:24 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_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 1.090e+02 1.055e+00 2.669e+00 o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01: iso @ 14 362.0 8.974e+01 1.051e+00 2.723e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.039101 1.214391 1.003862 0.980142 1.241594 1.019684 1.266033 --------------------------------------------------------------------------