KINISOT.py v 2.0.1: 2023-09-10 09:28 Temp = 195.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS1 281.8 o endo-react: iso @ 14 2.012e+02 1.049e+00 2.686e+00 o endo-TS1: iso @ 14 271.3 1.661e+02 1.043e+00 2.745e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.038994 1.211722 1.006191 0.978590 1.239644 1.014372 1.257461 -------------------------------------------------------------------------- KIE = 1.907447 (2.398541/1.257461)