KINISOT.py v 2.0.1: 2023-09-11 11:17 Temp = 195.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-React-OBS-gas-phase -------------------------------------------------------------------------- o endo-TS-OBS-gas-phase 390.0 o endo-React-OBS-gas-phase: iso @ 13 2.080e+02 1.060e+00 2.649e+00 o endo-TS-OBS-gas-phase: iso @ 13 371.5 7.847e+01 1.026e+00 2.779e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.049939 2.650512 1.033161 0.953187 2.740562 1.037886 2.844390 -------------------------------------------------------------------------- KIE = 2.844390/1.301467 = 2.185526025631076