. 2018 Jan 16;8(6):3328–3342. doi: 10.1039/c7ra11603a

Harmonic vibrational frequencies (cm⁻¹) computed at B3LYP/6-31+G(d,p) of Co–NO₂ and Co–ONO isomers.

Co–NO₂	Endo-Co	Exo-Co–ONO	Assignment
820(757^a, 825^b)		880 (718^a, 791^b)	NO₂ and ONO deformation
1367(1257^a, 1315^b)	968		Sym. NO₂ stretching + NH₃ defor.
1590(1466^a, 1440^b)	1578	1759(1586^a, 1460^b)	Asym. NO₂ and ONO stretching

Theoretical values taken from ref. 33a.

Experimental data taken from ref. 33b.

Harmonic vibrational frequencies (cm−1) computed at B3LYP/6-31+G(d,p) of Co–NO2 and Co–ONO isomers.