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 = 250.15K / 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 4.983e+01 1.072e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 14 1588.2 4.459e+01 1.061e+00 2.771e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.010593 1.117481 1.010468 0.986096 1.125273 1.004674 1.130533 --------------------------------------------------------------------------