KINISOT.py v 2.0.1: 2023-08-10 23:12 Unable to find vibrational scaling factor for RB3LYP/def2SVPP; 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_G16_PCM_DCM_def2svpp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_DCM_def2svpp_v_01 313.8 o Endo_TS1_G16_PCM_DCM_def2svpp_v_01_reactant: iso @ 14 6.668e+01 1.086e+00 2.671e+00 o Endo_TS1_G16_PCM_DCM_def2svpp_v_01: iso @ 14 303.7 5.670e+01 1.056e+00 2.761e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.033290 1.175954 1.028753 0.967284 1.209143 1.009135 1.220188 --------------------------------------------------------------------------