KINISOT.py v 2.0.1: 2023-08-21 14:12 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_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 @ 14 4.698e+01 1.070e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 14 1582.3 4.456e+01 1.061e+00 2.759e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.010535 1.054168 1.008697 0.990543 1.064377 1.003829 1.068453 --------------------------------------------------------------------------