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 = 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 @ 13 6.990e+01 1.063e+00 2.204e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 13 1271.9 1.394e+01 1.041e+00 2.760e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.261864 5.016151 1.021379 0.798702 5.163630 1.073949 5.545477 --------------------------------------------------------------------------