KINISOT.py v 2.0.1: 2023-09-21 13:02 Unable to find vibrational scaling factor for RB3LYP/def2QZVPP; using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o endo-react -------------------------------------------------------------------------- o endo-TS 353.9 o endo-react: iso @ 14 1.616e+02 1.071e+00 2.694e+00 o endo-TS: iso @ 14 339.8 1.295e+02 1.054e+00 2.797e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.041536 1.247484 1.016161 0.963339 1.271895 1.021426 1.299146 --------------------------------------------------------------------------