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 @ 14 1.277e+02 1.075e+00 2.671e+00 o endo-TS: iso @ 14 303.7 1.059e+02 1.044e+00 2.761e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.033290 1.205798 1.029647 0.967284 1.240907 1.013295 1.257405 -------------------------------------------------------------------------- KIE = 2.046255 / 1.257405 = 1.627363498634092