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 @ 13 1.028e+02 1.059e+00 2.646e+00 o endo_TS1_dis: iso @ 13 378.9 3.977e+01 1.038e+00 2.775e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.053324 2.584989 1.019949 0.953542 2.648125 1.030137 2.727930 -------------------------------------------------------------------------- KIE = 2.727930 / 1.233369 = 2.21177