KINISOT.py v 2.0.1: 2023-09-13 09:53 Temp = 195.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react_dis -------------------------------------------------------------------------- o endo_TS1_dis 405.6 o endo-react_dis: iso @ 13 2.147e+02 1.047e+00 2.645e+00 o endo_TS1_dis: iso @ 13 384.7 7.065e+01 1.029e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.054327 3.038478 1.016793 0.953419 3.105615 1.045064 3.245567 -------------------------------------------------------------------------- KIE = 3.245567 /1.279850 = 2.535896