KINISOT.py v 2.0.1: 2023-07-20 04:00 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_G03_PCM_DCM_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_DCM_v_01 364.2 o Endo_TS1_G03_PCM_DCM_v_01_reactant: iso @ 13 2.305e+02 1.062e+00 2.659e+00 o Endo_TS1_G03_PCM_DCM_v_01: iso @ 13 347.2 8.725e+01 1.028e+00 2.794e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.048957 2.641621 1.033725 0.951632 2.725853 1.031638 2.812093 --------------------------------------------------------------------------