KINISOT.py v 2.0.1: 2023-07-23 22:22 Unable to find vibrational scaling factor for RB3LYP/def2SVPP; using value of 1.0 Temp = 195.0K / 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 2.187e+02 1.068e+00 2.671e+00 o Endo_TS1_G16_PCM_DCM_def2svpp_v_01: iso @ 14 303.7 1.777e+02 1.037e+00 2.761e+00 -------------------------------------------------------------------------- KIE @ 195.0 K 1.033290 1.231113 1.030011 0.967284 1.267407 1.015679 1.287279 --------------------------------------------------------------------------