KINISOT.py v 2.0.1: 2023-08-07 01:13 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_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 7.269e+01 1.077e+00 2.658e+00 o Endo_TS1_G16_PCM_DCM_b2plypd3_def2tzvpp_v_01: iso @ 14 416.0 6.042e+01 1.055e+00 2.767e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.041702 1.203006 1.021317 0.960486 1.229314 1.022931 1.257503 --------------------------------------------------------------------------