. 2016 Sep 22;11(9):e0162031. doi: 10.1371/journal.pone.0162031

Table 3. Observed and calculated frequencies of normal modes for the 4-Cys-[2Fe-2S] complex.

State	Oxidized				State	Reduced
	Observed			Calculated		Observed		Calculated
	Adr	Pdx	SMet	Scaled		Adr	Pdx	Scaled
Normal	ref (a)	ref (a)	ref (b)		Normal	ref (a)	ref (a)
Mode	[cm⁻¹]	[cm⁻¹]	[cm⁻¹]	[cm⁻¹]	Mode	[cm⁻¹]	[cm⁻¹]	[cm⁻¹]
B_2u^b	421	426	409	427.6	B₁^b	398.0	406.0	406.3
A_g^b	393	400	385	390.3	A₁^b	377.0	381.0	383.2
B_3u^b	349	350	345	342.5	A₁^b	307.0	307.0	311.1
B_1u^t	341	344	329	329.2	B₂^t		319.0	268.1
B_2g^t	341	344		308.1	B₂^t			251.7
A_g^t	329	338	322	304.6	A₁^t	307.0	307.0	262.0
B_1g^b	317	320	313	298.8	B₁^b	276.0	273.0	284.9
B_3u^t	291	291	279	261.0	A₁^t	258.0	273.0	237.1
A_g^Fe-Fe			210	208.7	A₁			109.6

More complete data are provided in the Tables in S2 File. Scaling factors are 1.06 and 1.1 for the oxidized and reduced states, respectively. (a) Ref [59]: (Adr) bovine adrenodoxin and (Pdx) putidaredoxin (b) Ref [60]: (SMet) the structure (MeS)₂[2Fe-2S](SMe)₂