KINISOT.py v 2.0.1: 2023-07-10 17:28 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 250.15K / 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 @ 13 6.578e+01 1.074e+00 2.688e+00 o Exo_TS1_G16_PCM_carbon_tetrachloride_v_01: iso @ 13 320.1 5.999e+01 1.060e+00 2.750e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.030459 1.096549 1.013176 0.977519 1.119100 1.009332 1.129543 --------------------------------------------------------------------------