KINISOT.py v 2.0.1: 2023-09-13 10:00 Temp = 226.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react_dis -------------------------------------------------------------------------- o endo_TS1_dis 405.6 o endo-react_dis: iso @ 13 1.028e+02 1.058e+00 2.645e+00 o endo_TS1_dis: iso @ 13 384.7 3.941e+01 1.038e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.054327 2.609126 1.019236 0.953419 2.673182 1.031822 2.758248 -------------------------------------------------------------------------- KIE = 2.758248 / 1.236001 = 2.23159