KINISOT.py v 2.0.1: 2023-08-01 13:09 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; using value of 1.0 Temp = 250.15K / 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 7.264e+01 1.086e+00 2.655e+00 o Endo_TS1_G16_PCM_carbon_tetrachloride_b2plypd3_def2tzvpp_v_01: iso @ 14 449.6 6.026e+01 1.054e+00 2.791e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.043303 1.205437 1.030184 0.951345 1.232558 1.028502 1.267688 --------------------------------------------------------------------------