KINISOT.py v 2.0.1: 2023-08-24 18:35 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 210.15K / 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 1.067e+02 1.052e+00 2.213e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 13 1297.3 1.743e+01 1.035e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.256736 6.119135 1.016123 0.797716 6.233456 1.874947 11.687400 --------------------------------------------------------------------------