KINISOT.py v 2.0.1: 2023-08-10 22:58 Unable to find vibrational scaling factor for RB3LYP/def2SVP; 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_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 2.121e+02 1.072e+00 2.669e+00 o Endo_TS1_G16_PCM_DCM_def2svp_v_01: iso @ 14 302.3 1.749e+02 1.038e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.034112 1.212510 1.033357 0.964327 1.249476 1.015885 1.269324 --------------------------------------------------------------------------