KINISOT.py v 2.0.1: 2023-09-13 09:57 Temp = 210.15K / 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 @ 14 1.386e+02 1.055e+00 2.657e+00 o endo_TS1_dis: iso @ 14 389.4 1.153e+02 1.043e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.041728 1.201886 1.011586 0.963618 1.220465 1.029448 1.256405 -------------------------------------------------------------------------- KIE = 2.980776 / 1.256405 2.3724642