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 @ 14 2.365e+02 1.045e+00 2.656e+00 o endo-TS1: iso @ 14 416.5 1.930e+02 1.036e+00 2.748e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.041183 1.225520 1.008583 0.966447 1.243761 1.040923 1.294659 -------------------------------------------------------------------------- KIE = 3.585813 /1.294659 2.769696885434697