KINISOT.py v 2.0.1: 2023-08-07 01:12 Unable to find vibrational scaling factor for RB2PLYPD3-FC/def2TZVPP; using value of 1.0 Temp = 226.15K / 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 @ 14 1.146e+02 1.069e+00 2.658e+00 o Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01: iso @ 14 416.0 9.337e+01 1.046e+00 2.767e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.041702 1.226835 1.021278 0.960486 1.253615 1.028934 1.289887 --------------------------------------------------------------------------