KINISOT.py v 2.0.1: 2023-09-13 12:27 Temp = 250.15K / 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 6.592e+01 1.068e+00 2.646e+00 o endo_TS1_dis: iso @ 13 378.9 2.793e+01 1.046e+00 2.775e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.053324 2.359861 1.021324 0.953542 2.420759 1.024011 2.478885 -------------------------------------------------------------------------- KIE = 2.478885/1.209501 2.049510500611409