KINISOT.py v 2.0.1: 2023-08-24 18:36 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 @ 14 9.835e+01 1.054e+00 2.731e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 14 1613.0 9.202e+01 1.042e+00 2.764e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.010765 1.068748 1.011460 0.988410 1.079969 1.079977 1.166342 --------------------------------------------------------------------------