KINISOT.py v 2.0.1: 2023-09-10 09:45 Temp = 250.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o exo-react -------------------------------------------------------------------------- o exo-TS1 271.9 o exo-react: iso @ 14 6.274e+01 1.077e+00 2.710e+00 o exo-TS1: iso @ 14 264.4 3.497e+01 1.048e+00 2.778e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.028608 1.793929 1.027342 0.975489 1.849238 1.005843 1.860044 -------------------------------------------------------------------------- KIE = 1.860044/1.107661 = 1.679