KINISOT.py v 2.0.1: 2023-08-21 14:11 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_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 7.068e+01 1.060e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 14 1582.3 6.668e+01 1.050e+00 2.759e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.010535 1.060086 1.009539 0.990543 1.071246 1.030134 1.103527 --------------------------------------------------------------------------