KINISOT.py v 2.0.1: 2023-08-10 23:00 Unable to find vibrational scaling factor for RB3LYP/def2SVP; using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G16_PCM_DCM_def2svp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_DCM_def2svp_v_01 312.6 o Endo_TS1_G16_PCM_DCM_def2svp_v_01_reactant: iso @ 14 1.447e+02 1.077e+00 2.669e+00 o Endo_TS1_G16_PCM_DCM_def2svp_v_01: iso @ 14 302.3 1.210e+02 1.043e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.034112 1.195948 1.033213 0.964327 1.232237 1.013495 1.248866 --------------------------------------------------------------------------