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 @ 14 1.806e+02 1.074e+00 2.669e+00 o endo-TS: iso @ 14 302.3 1.498e+02 1.040e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.034112 1.205521 1.033315 0.964327 1.242223 1.015885 1.261956 -------------------------------------------------------------------------- KIE = 2.150048 ./ 1.261956 = 1.703742444269055