KINISOT.py v 2.0.1: 2023-07-10 16:20 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 @ 13 1.567e+02 1.068e+00 2.688e+00 o Endo_TS1_G16_PCM_DCM_v_01: iso @ 13 277.0 7.071e+01 1.034e+00 2.787e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.036088 2.215799 1.032890 0.964320 2.286663 1.011835 2.313727 --------------------------------------------------------------------------