KINISOT.py v 2.0.1: 2023-08-24 18:37 Unable to find vibrational scaling factor for RPM7/ZDO; 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_G16_PCM_PM7_carbon_tetrachloride_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy 1630.4 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_reactant_copy: iso @ 13 7.667e+01 1.058e+00 2.213e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 13 1297.3 1.424e+01 1.041e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.256736 5.383096 1.016740 0.797716 5.486995 1.177093 6.458704 --------------------------------------------------------------------------