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 @ 13 4.651e+01 1.074e+00 2.204e+00 o Endo_TS1_G16_PCM_PM7_chlorobenzene_v_01_copy: iso @ 13 1271.9 1.082e+01 1.050e+00 2.760e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.261864 4.297099 1.023011 0.798702 4.430507 0.625873 2.772936 --------------------------------------------------------------------------