KINISOT.py v 2.0.1: 2023-09-26 09:08 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 @ 14 2.339e+02 1.048e+00 2.656e+00 o endo-TS: iso @ 14 416.5 1.930e+02 1.036e+00 2.758e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.041183 1.212166 1.012065 0.963020 1.230079 1.040923 1.280417 -------------------------------------------------------------------------- KIE 3.554546 /1.280417 =2.77608466616735