KINISOT.py v 2.0.1: 2023-09-13 12:29 Temp = 226.15K / 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 @ 14 9.770e+01 1.062e+00 2.656e+00 o endo_TS1_dis: iso @ 14 383.3 8.245e+01 1.048e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.041456 1.185025 1.013718 0.962937 1.204713 1.023786 1.233369 -------------------------------------------------------------------------- KIE = 2.727930 / 1.233369 = 2.21177