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 @ 13 1.622e+02 1.067e+00 2.622e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01: iso @ 13 441.0 5.294e+01 1.030e+00 2.793e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.063705 3.063764 1.036368 0.938627 3.170176 1.062363 3.367877 --------------------------------------------------------------------------