KINISOT.py v 2.0.1: 2023-07-20 03:52 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_G03_PCM_chloroform_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_chloroform_v_01 367.2 o Endo_TS1_G03_PCM_chloroform_v_01_reactant: iso @ 14 1.091e+02 1.057e+00 2.646e+00 o Endo_TS1_G03_PCM_chloroform_v_01: iso @ 14 353.0 8.885e+01 1.044e+00 2.745e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.039998 1.228416 1.013263 0.964001 1.247894 1.019049 1.271664 --------------------------------------------------------------------------