KINISOT.py v 2.0.1: 2023-09-13 10:03 Temp = 250.15K / 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 6.593e+01 1.068e+00 2.645e+00 o endo_TS1_dis: iso @ 13 384.7 2.771e+01 1.046e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.054327 2.379772 1.020643 0.953419 2.441564 1.025328 2.503403 -------------------------------------------------------------------------- KIE = 2.503403/ 1.211690 = 2.06604