KINISOT.py v 2.0.1: 2023-08-24 12:28 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 195.15K / 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 1.527e+02 1.047e+00 2.213e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 13 1297.3 2.172e+01 1.031e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.256736 7.033284 1.015491 0.797716 7.160225 4.649524 33.291635 --------------------------------------------------------------------------