KINISOT.py v 2.0.1: 2023-10-13 06:19 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2QZVPP; using value of 1.0 Temp = 250.15K / 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 7.110e+01 1.066e+00 2.656e+00 o endo-TS1: iso @ 14 416.5 6.067e+01 1.053e+00 2.748e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.041183 1.171930 1.012295 0.966447 1.193751 1.022689 1.220836 --------------------------------------------------------------------------