KINISOT.py v 2.0.1: 2023-07-10 18:21 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 Exo_TS1_G16_PCM_DCM_v_01_reactant -------------------------------------------------------------------------- o Exo_TS1_G16_PCM_DCM_v_01 281.6 o Exo_TS1_G16_PCM_DCM_v_01_reactant: iso @ 13 1.443e+02 1.058e+00 2.702e+00 o Exo_TS1_G16_PCM_DCM_v_01: iso @ 13 274.0 1.325e+02 1.050e+00 2.747e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.027881 1.089262 1.007625 0.983717 1.109799 1.008874 1.119648 --------------------------------------------------------------------------