KINISOT.py v 2.0.1: 2023-08-03 14:01 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; using value of 1.0 Temp = 195.15K / 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 @ 13 2.402e+02 1.062e+00 2.634e+00 o Endo_TS1_G16_PCM_chlorobenzene_b2plypd3_def2tzvpp_v_01: iso @ 13 417.4 7.425e+01 1.027e+00 2.791e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.059194 3.234879 1.034263 0.943617 3.343951 1.060486 3.546214 --------------------------------------------------------------------------