KINISOT.py v 2.0.1: 2023-09-21 13:11 Temp = 195.15K / Vib. scale factor = 0.97 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS 312.6 o endo-react: iso @ 13 1.673e+02 1.073e+00 2.683e+00 o endo-TS: iso @ 13 301.1 8.252e+01 1.031e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.038125 2.027789 1.040761 0.964321 2.112735 1.017661 2.150048 -------------------------------------------------------------------------- KIE = 2.150048 ./ 1.261956 = 1.703742444269055