KINISOT.py v 2.0.1: 2023-08-24 18:49 Unable to find vibrational scaling factor for RPM7/ZDO; 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_PM7_chloroform_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy 1608.5 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_reactant_copy: iso @ 14 7.084e+01 1.063e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 14 1591.6 6.674e+01 1.050e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.010625 1.061355 1.012740 0.987299 1.072499 1.032412 1.107261 --------------------------------------------------------------------------