KINISOT.py v 2.0.1: 2023-09-13 12:34 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 399.1 o endo-react_dis: iso @ 13 2.146e+02 1.047e+00 2.646e+00 o endo_TS1_dis: iso @ 13 378.9 7.139e+01 1.029e+00 2.775e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.053324 3.005928 1.017551 0.953542 3.072107 1.042583 3.202927 --------------------------------------------------------------------------