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 = 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 @ 13 1.062e+02 1.054e+00 2.206e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 13 1275.5 1.709e+01 1.036e+00 2.776e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.261045 6.215517 1.017683 0.794665 6.338761 1.692058 10.725550 --------------------------------------------------------------------------