KINISOT.py v 2.0.1: 2023-08-06 16:28 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; 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_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01 446.5 o Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01_reactant: iso @ 13 2.401e+02 1.063e+00 2.632e+00 o Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01: iso @ 13 421.2 7.386e+01 1.027e+00 2.793e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.059922 3.250703 1.034677 0.942503 3.359998 1.062743 3.570816 --------------------------------------------------------------------------