KINISOT.py v 2.0.1: 2023-09-13 12:26 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 399.1 o endo-react_dis: iso @ 14 6.295e+01 1.073e+00 2.656e+00 o endo_TS1_dis: iso @ 14 383.3 5.399e+01 1.057e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.041456 1.165880 1.015213 0.962937 1.186998 1.018958 1.209501 KIE = 2.478885/1.209501 2.049510500611409 --------------------------------------------------------------------------