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 = 226.15K / 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 @ 13 9.509e+01 1.082e+00 2.683e+00 o Endo_TS1_G16_PCM_DCM_def2svp_v_01: iso @ 13 301.1 5.070e+01 1.038e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.038125 1.875559 1.042317 0.964321 1.957051 1.012792 1.982086 --------------------------------------------------------------------------