KINISOT.py v 2.0.1: 2023-07-20 04:02 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_G03_PCM_DCM_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_DCM_v_01 364.2 o Endo_TS1_G03_PCM_DCM_v_01_reactant: iso @ 14 1.554e+02 1.070e+00 2.663e+00 o Endo_TS1_G03_PCM_DCM_v_01: iso @ 14 350.1 1.245e+02 1.044e+00 2.790e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.040212 1.248202 1.024346 0.954376 1.269324 1.022168 1.297462 --------------------------------------------------------------------------