KINISOT.py v 2.0.1: 2023-08-24 18:48 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 195.15K / 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 1.394e+02 1.051e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 14 1591.6 1.301e+02 1.037e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 195.15 K 1.010625 1.071442 1.013314 0.987299 1.083306 1.179167 1.277399 --------------------------------------------------------------------------