KINISOT.py v 2.0.1: 2023-08-01 13:06 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; 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_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 @ 14 1.642e+02 1.072e+00 2.655e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01: iso @ 14 449.6 1.315e+02 1.041e+00 2.791e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.043303 1.249077 1.029917 0.951345 1.276851 1.043418 1.332289 --------------------------------------------------------------------------