KINISOT.py v 2.0.1: 2025-05-17 07:28 Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory REF: I. M. Alecu, unpublished (2011). Temp = 298.15K / Vib. scale factor = 0.985 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Cyclic-25 -------------------------------------------------------------------------- o Cyclic-26 577.1 o Cyclic-25: iso @ 29 30 33 34 87 89 90 105 6.674e+12 2.444e+00 3.439e+03 o Cyclic-26: iso @ 29 30 33 34 87 89 90 105 496.5 2.401e+12 2.078e+00 3.990e+03 -------------------------------------------------------------------------- KIE @ 298.15 K 1.162299 2.779595 1.176064 0.861763 3.274295 1.099897 3.601387 --------------------------------------------------------------------------