KINISOT.py v 2.0.1: 2023-09-26 09:07 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 endo-react -------------------------------------------------------------------------- o endo-TS 433.6 o endo-react: iso @ 13 2.437e+02 1.045e+00 2.634e+00 o endo-TS: iso @ 13 409.8 7.408e+01 1.027e+00 2.775e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.058021 3.290015 1.018194 0.949256 3.364386 1.056521 3.554546 -------------------------------------------------------------------------- KIE 3.554546 /1.280417 =2.77608466616735