KINISOT.py v 2.0.1: 2023-08-24 18:38 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_carbon_tetrachloride_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy 1630.4 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_reactant_copy: iso @ 14 4.722e+01 1.071e+00 2.731e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 14 1613.0 4.465e+01 1.060e+00 2.764e+00 -------------------------------------------------------------------------- KIE @ 250.15 K 1.010765 1.057445 1.010424 0.988410 1.067453 1.008311 1.076325 --------------------------------------------------------------------------