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 @ 14 1.399e+02 1.048e+00 2.731e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 14 1613.0 1.303e+02 1.036e+00 2.764e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.010765 1.074224 1.011583 0.988410 1.085634 1.239597 1.345748 --------------------------------------------------------------------------