KINISOT.py v 2.0.1: 2023-08-01 13:08 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 @ 14 1.145e+02 1.078e+00 2.655e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01: iso @ 14 449.6 9.310e+01 1.046e+00 2.791e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.043303 1.229577 1.030098 0.951345 1.257137 1.036215 1.302664 --------------------------------------------------------------------------