KINISOT.py v 2.0.1: 2025-05-14 15:14 Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory REF: I. M. Alecu, unpublished (2011).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 @ 75 1.315e+00 1.021e+00 1.115e+00 o Cyclic-25: iso @ 75 563.6 1.267e+00 1.018e+00 1.126e+00 -------------------------------------------------------------------------- KIE @ 298.15 K 1.009731 1.037961 1.003153 0.990540 1.041419 1.006966 1.048674 --------------------------------------------------------------------------