Supplementary material to the paper by  A. Campargue ,O. Leshchishina, and O. Naumenko

"D2O: ICLAS between 13600 and 14020 cm-1 and normal mode labelling of the vibrational states"




Part I. D2O lines assigned in the ICLAS spectrum between 13600 and 14020 cm-1 

Columns are as follows:

1. Observed wavenumber in cm-1.
2. Observed intensity in cm/molecule
3. Calculated intensity in cm/molecule (pure D216O)
   is based on potential energy surface 
   S.V. Shirin, N.F. Zobov, O.L. Polyansky, J. Quant. Spectr. Radiat. Transfer.
   109, 549-558 (2008)  and dipole moment surface from  D. Schwenke, H.Partridge
   J. Chem. Phys. 113, 6592-6597 (2000).
4. Upper vibrational state.
5. Upper J Ka Kc.    
6. Lower J Ka Kc.
7. Lower vibrational state.

Tentative assignments are marked by "T"


Part II. The vibrational energy levels of D2O up to 18000 cm-1 and their assignments


The columns are as follows:

1. 		EH - calculated band origin based on the Effective Hamiltonian (EH) model presented in the paper

2 and 4: 	W1 and W2 are the vibrational quantum numbers corresponding to the first
		and second contributions in the expansion of the eigenfunction in the normal mode basis 

3 and 5: 	mixing coefficients (or fraction) corresponding to W1 and W2 respectively

6.	  	OBS: Observed band origin in cm-1 (see text for references).

7.		OBS-EH - difference between the observed and EH calculated band origin in cm-1.

8. 		VAR - band origin in cm-1 as calculated by variational calculations from S. V. Shirin et al.
   		J. Quant. Spectrosc. Radiat. Transfer, 109, 549-558 (2008), (Ref. [4] of the paper).
   		
9. 		VAR_ASSIGN - vibrational labelling of the state as proposed in Ref.[4]. The assignments are provided
		only if they differ from W1.