KINISOT.py v 2.0.1: 2023-08-24 18:52 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_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 5.037e+01 1.070e+00 2.206e+00 o Endo_TS1_G16_PCM_PM7_chloroform_v_01_copy: iso @ 13 1275.5 1.085e+01 1.050e+00 2.776e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.261045 4.640845 1.019087 0.794665 4.739394 0.636190 3.015154 --------------------------------------------------------------------------