KINISOT.py v 2.0.1: 2023-08-07 00:26 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; 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_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 7.194e+01 1.082e+00 2.632e+00 o Endo_TS1_G16_PCM_chloroform_b2plypd3_def2tzvpp_v_01: iso @ 13 421.2 2.868e+01 1.043e+00 2.793e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.059922 2.508475 1.037916 0.942503 2.600931 1.034458 2.690554 --------------------------------------------------------------------------