KINISOT.py v 2.0.1: 2023-08-21 14:10 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 @ 13 7.623e+01 1.058e+00 2.202e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 13 1265.7 1.386e+01 1.041e+00 2.770e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.263345 5.500410 1.016297 0.794946 5.614036 1.049914 5.894256 --------------------------------------------------------------------------