KINISOT.py v 2.0.1: 2023-08-21 14:11 Unable to find vibrational scaling factor for RPM7/ZDO; 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_PM7_dichloroethane_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy 1599.0 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_reactant_copy: iso @ 13 5.030e+01 1.067e+00 2.202e+00 o Endo_TS1_G16_PCM_PM7_dichloroethane_v_01_copy: iso @ 13 1265.7 1.077e+01 1.049e+00 2.770e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.263345 4.670461 1.017115 0.794946 4.770777 0.607684 2.899126 --------------------------------------------------------------------------