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v 2.0.1: 2025-05-17 07:28 Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory REF: I. M. Alecu, unpublished (2011).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 @ 75 1.316e+00 1.021e+00 1.115e+00 o Cyclic-26: iso @ 75 571.6 1.268e+00 1.018e+00 1.126e+00 -------------------------------------------------------------------------- KIE @ 298.15 K 1.009533 1.037848 1.002940 0.990755 1.041108 1.007052 1.048449 --------------------------------------------------------------------------