KINISOT.py v 2.0.1: 2025-05-14 15:11 Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory REF: I. M. Alecu, unpublished (2011).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-25 569.1 o Cyclic-25: iso @ 29 30 33 34 87 89 90 105 6.755e+12 2.429e+00 3.448e+03 o Cyclic-25: iso @ 29 30 33 34 87 89 90 105 491.7 2.494e+12 2.076e+00 3.976e+03 -------------------------------------------------------------------------- KIE @ 298.15 K 1.157406 2.708533 1.170041 0.867204 3.180841 1.094233 3.480582 --------------------------------------------------------------------------