KINISOT.py v 2.0.1: 2023-09-13 09:52 Temp = 195.15K / 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 2.025e+02 1.049e+00 2.657e+00 o endo_TS1_dis: iso @ 14 389.4 1.661e+02 1.039e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.041728 1.218995 1.010406 0.963618 1.236395 1.035146 1.279850 -------------------------------------------------------------------------- KIE = 3.245567 /1.279850 = 2.535896