KINISOT.py v 2.0.1: 2023-09-21 13:18 Temp = 210.15K / Vib. scale factor = 0.97 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS 312.6 o endo-react: iso @ 13 1.161e+02 1.078e+00 2.683e+00 o endo-TS: iso @ 13 301.1 6.022e+01 1.035e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.038125 1.928005 1.041779 0.964321 2.010737 1.015002 2.040902 -------------------------------------------------------------------------- KIE = 2.040902 / 1.242061 = 1.643157622693249