KINISOT.py v 2.0.1: 2023-07-20 03:48 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); 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_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 @ 14 2.300e+02 1.047e+00 2.646e+00 o Endo_TS1_G03_PCM_chloroform_v_01: iso @ 14 353.0 1.812e+02 1.034e+00 2.745e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.039998 1.269224 1.012607 0.964001 1.288514 1.026642 1.322843 --------------------------------------------------------------------------