KINISOT.py v 2.0.1: 2023-09-13 12:33 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 399.1 o endo-react_dis: iso @ 13 1.463e+02 1.053e+00 2.646e+00 o endo_TS1_dis: iso @ 13 378.9 5.264e+01 1.033e+00 2.775e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.053324 2.778828 1.018800 0.953542 2.843492 1.035710 2.945032 -------------------------------------------------------------------------- KIE 2.945032/1.253366 =2.3496983323307