KINISOT.py v 2.0.1: 2023-07-10 17:15 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 195.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Exo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant -------------------------------------------------------------------------- o Exo_TS1_G16_PCM_carbon_tetrachloride_v_01 329.8 o Exo_TS1_G16_PCM_carbon_tetrachloride_v_01_reactant: iso @ 14 2.234e+02 1.051e+00 2.692e+00 o Exo_TS1_G16_PCM_carbon_tetrachloride_v_01: iso @ 14 318.4 9.058e+01 1.030e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.035873 2.466309 1.020371 0.972690 2.535635 1.018794 2.583288 --------------------------------------------------------------------------