KINISOT.py v 2.0.1: 2023-08-07 01:10 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; 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_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01 433.4 o Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01_reactant: iso @ 13 1.628e+02 1.062e+00 2.636e+00 o Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01: iso @ 13 409.7 5.519e+01 1.031e+00 2.778e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.057817 2.950637 1.030430 0.948855 3.051721 1.046847 3.194686 --------------------------------------------------------------------------