KINISOT.py v 2.0.1: 2023-08-24 18:37 Unable to find vibrational scaling factor for RPM7/ZDO; using value of 1.0 Temp = 226.15K / 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 7.108e+01 1.060e+00 2.731e+00 o Endo_TS1_G16_PCM_PM7_carbon_tetrachloride_v_01_copy: iso @ 14 1613.0 6.682e+01 1.049e+00 2.764e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.010765 1.063732 1.011149 0.988410 1.074570 1.037844 1.115236 --------------------------------------------------------------------------