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 @ 13 1.706e+02 1.069e+00 2.681e+00 o endo-TS: iso @ 13 302.1 8.380e+01 1.030e+00 2.777e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.038730 2.035375 1.037682 0.965480 2.118140 1.018080 2.156437 -------------------------------------------------------------------------- KIE = 2.156437 / 1.278943 = 1.686108763252154