KINISOT.py v 2.0.1: 2023-09-13 10:03 Temp = 250.15K / 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 6.299e+01 1.072e+00 2.657e+00 o endo_TS1_dis: iso @ 14 389.4 5.398e+01 1.057e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.041728 1.167059 1.014227 0.963618 1.188194 1.019775 1.211690 -------------------------------------------------------------------------- KIE = 2.503403/ 1.211690 = 2.06604