KINISOT.py v 2.0.1: 2023-09-13 09:57 Temp = 210.15K / 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 1.463e+02 1.052e+00 2.645e+00 o endo_TS1_dis: iso @ 13 384.7 5.214e+01 1.033e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.054327 2.806760 1.018064 0.953419 2.872363 1.037743 2.980776 -------------------------------------------------------------------------- KIE = 2.980776 / 1.256405 2.3724642