KINISOT.py v 2.0.1: 2023-08-21 14:08 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_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 1.390e+02 1.048e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 14 1582.3 1.299e+02 1.037e+00 2.759e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.010535 1.069958 1.010145 0.990543 1.081870 1.160102 1.255080 --------------------------------------------------------------------------