Band	Band origin	These rounded band origins are based on Ali01 calc, with the error from experiment fitted to a line and then subtracted from the calculated value. Maximum error ~+/-0.3 cm-1 (for levels below 9500 cm-1)	
000	0.1		
011	2521.5		
100	3178.4		
020	4778.4		
022	4998.2		
111	5554.4		
200	6262.3		
031	7006.4		
033	7285.9		
033	7493.3		
120	7769.3		
122	7870.3		
211	8488.0		
040	9002.0		
042	9113.5		
300	9252.0		
044	9654.1		
133	9968.6		
131	9997.3		
133	10210.1		
220	10592.9		
222	10644.8		
051	10862.9		
053	10923.4		
311	11322.7		
053	11530.3		
055	11658.1		
140	11813.9		
142	12078.6		
144	12146.4		
233	12302.9		
230	12381.1