KINISOT.py v 2.0.1: 2023-09-21 13:25 Temp = 195.15K / 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 1.853e+02 1.070e+00 2.671e+00 o endo-TS: iso @ 14 303.7 1.515e+02 1.039e+00 2.761e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.033290 1.223269 1.029931 0.967284 1.259233 1.015652 1.278943 -------------------------------------------------------------------------- KIE = 2.156437 / 1.278943 = 1.686108763252154