KINISOT.py v 2.0.1: 2023-09-21 13:19 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 @ 14 1.246e+02 1.079e+00 2.669e+00 o endo-TS: iso @ 14 302.3 1.048e+02 1.045e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.034112 1.189545 1.033115 0.964327 1.225523 1.013495 1.242061 -------------------------------------------------------------------------- KIE = 2.040902 / 1.242061 = 1.643157622693249