KINISOT.py v 2.0.1: 2023-09-13 12:32 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 @ 14 1.385e+02 1.056e+00 2.656e+00 o endo_TS1_dis: iso @ 14 383.3 1.154e+02 1.043e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.041456 1.200441 1.012583 0.962937 1.219019 1.028176 1.253366 -------------------------------------------------------------------------- KIE 2.945032/1.253366 =2.3496983323307