KINISOT.py v 2.0.1: 2023-08-01 13:07 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; using value of 1.0 Temp = 226.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01 469.1 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01_reactant: iso @ 13 1.132e+02 1.073e+00 2.622e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01: iso @ 13 441.0 3.998e+01 1.034e+00 2.793e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.063705 2.830434 1.037483 0.938627 2.931892 1.051980 3.084290 --------------------------------------------------------------------------