KINISOT.py v 2.0.1: 2023-08-19 19:47 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_DCM_v_01_reactant_copy -------------------------------------------------------------------------- o Endo_TS1_G16_PCM_PM7_DCM_v_01_copy 1599.0 o Endo_TS1_G16_PCM_PM7_DCM_v_01_reactant_copy: iso @ 14 7.540e+01 1.063e+00 2.733e+00 o Endo_TS1_G16_PCM_PM7_DCM_v_01_copy: iso @ 14 1582.3 6.668e+01 1.050e+00 2.774e+00 -------------------------------------------------------------------------- KIE @ 226.15 K 1.010534 1.130841 1.012494 0.985292 1.140013 1.030131 1.174363 --------------------------------------------------------------------------