KINISOT.py v 2.0.1: 2023-08-21 14:09 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy 1599.0 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_reactant_copy: iso @ 13 1.060e+02 1.052e+00 2.202e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 13 1265.7 1.693e+01 1.036e+00 2.770e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.263345 6.262761 1.015687 0.794946 6.388294 1.620693 10.353464 --------------------------------------------------------------------------