KINISOT.py v 2.0.1: 2023-08-24 18:41 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_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 @ 13 1.372e+02 1.051e+00 2.204e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 13 1271.9 2.118e+01 1.031e+00 2.760e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.261864 6.480761 1.019128 0.798702 6.656600 3.520190 23.432498 --------------------------------------------------------------------------