KINISOT.py v 2.0.1: 2023-07-10 13:35 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 1210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_carbon_tetrachloride_v_01 337.5 o Endo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant: iso @ 13 2.405e+00 1.556e+00 2.675e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_v_01: iso @ 13 323.8 2.071e+00 1.568e+00 2.778e+00 -------------------------------------------------------------------------- KIE @ 1210.15 K 1.042212 1.161273 0.992515 0.962619 1.156331 1.000534 1.156948 --------------------------------------------------------------------------