KINISOT.py v 2.0.1: 2023-07-10 16:21 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_DCM_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_DCM_v_01 287.0 o Endo_TS1_G16_PCM_DCM_v_01_reactant: iso @ 14 1.569e+02 1.069e+00 2.674e+00 o Endo_TS1_G16_PCM_DCM_v_01: iso @ 14 277.8 1.294e+02 1.044e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.033118 1.212857 1.024326 0.961351 1.233900 1.010905 1.247356 --------------------------------------------------------------------------