KINISOT.py v 2.0.1: 2023-10-13 06:16 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2QZVPP; using value of 1.0 Temp = 195.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o exo-react -------------------------------------------------------------------------- o endo-TS1 433.6 o exo-react: iso @ 13 2.451e+02 1.045e+00 2.634e+00 o endo-TS1: iso @ 13 409.8 7.408e+01 1.027e+00 2.767e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.058021 3.308707 1.018320 0.952079 3.393981 1.056521 3.585813 -------------------------------------------------------------------------- KIE = 3.585813 /1.294659 2.769696885434697