KINISOT.py v 2.0.1: 2023-07-20 03:58 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_G03_PCM_chloroform_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_chloroform_v_01 367.2 o Endo_TS1_G03_PCM_chloroform_v_01_reactant: iso @ 13 6.984e+01 1.065e+00 2.650e+00 o Endo_TS1_G03_PCM_chloroform_v_01: iso @ 13 349.9 3.250e+01 1.041e+00 2.754e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.049364 2.149389 1.023151 0.962289 2.220683 1.018591 2.261967 --------------------------------------------------------------------------