KINISOT.py v 2.0.1: 2023-08-06 16:20 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_chlorobenzene_b2plypd3_def2tzvpp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01 442.1 o Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01_reactant: iso @ 14 1.145e+02 1.077e+00 2.659e+00 o Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01: iso @ 14 424.2 9.327e+01 1.047e+00 2.786e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.042098 1.227921 1.028041 0.954350 1.255443 1.030595 1.293854 --------------------------------------------------------------------------