KINISOT.py v 2.0.1: 2023-09-21 13:29 Temp = 210.15K / 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 1.182e+02 1.074e+00 2.681e+00 o endo-TS: iso @ 13 302.1 6.109e+01 1.034e+00 2.777e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.038730 1.934702 1.038679 0.965480 2.015307 1.015356 2.046255 -------------------------------------------------------------------------- KIE = 2.046255 / 1.257405 = 1.627363498634092