KINISOT.py v 2.0.1: 2023-09-10 09:44 Temp = 250.15K / Vib. scale factor = 0.9806 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o exo-react -------------------------------------------------------------------------- o exo-TS1 271.9 o exo-react: iso @ 13 5.996e+01 1.087e+00 2.717e+00 o exo-TS1: iso @ 13 265.3 5.554e+01 1.065e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.024855 1.079443 1.020030 0.976611 1.102037 1.005103 1.107661 -------------------------------------------------------------------------- KIE = 1.860044/1.107661 = 1.679