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 = 210.15K / 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 9.798e+01 1.057e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 14 1591.6 9.190e+01 1.043e+00 2.768e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.010625 1.066177 1.013122 0.987299 1.077779 1.068399 1.151498 --------------------------------------------------------------------------