KINISOT.py v 2.0.1: 2023-09-21 13:31 Temp = 226.15K / Vib. scale factor = 0.97 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS 313.8 o endo-react: iso @ 14 9.058e+01 1.080e+00 2.671e+00 o endo-TS: iso @ 14 303.7 7.612e+01 1.050e+00 2.761e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.033290 1.189939 1.029243 0.967284 1.224104 1.011337 1.237982 -------------------------------------------------------------------------- KIE = 1.950219 / 1.237982 = 1.575320965894496