KINISOT.py v 2.0.1: 2023-07-10 16:19 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_G16_PCM_DCM_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_DCM_v_01 287.0 o Endo_TS1_G16_PCM_DCM_v_01_reactant: iso @ 14 2.314e+02 1.064e+00 2.674e+00 o Endo_TS1_G16_PCM_DCM_v_01: iso @ 14 277.8 1.880e+02 1.039e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.033118 1.230982 1.024239 0.961351 1.252232 1.012803 1.268263 --------------------------------------------------------------------------