KINISOT.py v 2.0.1: 2023-07-20 04:07 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 250.15K / 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 @ 14 6.936e+01 1.084e+00 2.663e+00 o Endo_TS1_G03_PCM_DCM_v_01: iso @ 14 350.1 5.757e+01 1.058e+00 2.790e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.040212 1.204727 1.024808 0.954376 1.225665 1.015058 1.244121 --------------------------------------------------------------------------