KINISOT.py v 2.0.1: 2023-08-24 18:45 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 226.15K / 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 7.544e+01 1.062e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 14 1588.2 6.672e+01 1.050e+00 2.771e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.010593 1.130732 1.012064 0.986096 1.140416 1.031571 1.176420 --------------------------------------------------------------------------