KINISOT.py v 2.0.1: 2023-08-24 18:44 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_chlorobenzene_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy 1605.0 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_reactant_copy: iso @ 14 1.048e+02 1.056e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 14 1588.2 9.186e+01 1.043e+00 2.771e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.010593 1.141359 1.012912 0.986096 1.152097 1.066687 1.228927 --------------------------------------------------------------------------