KINISOT.py v 2.0.1: 2023-08-10 22:59 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 @ 13 1.345e+02 1.076e+00 2.683e+00 o Endo_TS1_G16_PCM_DCM_def2svp_v_01: iso @ 13 301.1 6.836e+01 1.033e+00 2.782e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.038125 1.967551 1.041374 0.964321 2.051181 1.015002 2.081952 --------------------------------------------------------------------------