KINISOT.py v 2.0.1: 2023-09-11 11:22 Temp = 195.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o exo-react-OBS-gas-phase -------------------------------------------------------------------------- o exo-TS-OBS-gas-phase 366.6 o exo-react-OBS-gas-phase: iso @ 13 1.954e+02 1.057e+00 2.688e+00 o exo-TS-OBS-gas-phase: iso @ 13 355.6 1.718e+02 1.042e+00 2.765e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.031014 1.137226 1.013969 0.972093 1.155697 1.020819 1.179758 -------------------------------------------------------------------------- KIE = 2.661511 / 1.179758 = 2.255980