National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.A.3. (XII.A.1.)

Listing of experimental geometry data for Na2Cl2 (Disodium dichloride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
Rotational Constants from
Calculated rotational constants for Na2Cl2 (Disodium dichloride).

Point Group D2h

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNaCl 2.584 1 2 1992Kuchitsu(II/21)
aClNaCl 101.4 2 1 3 1992Kuchitsu(II/21)
picture of Disodium dichloride

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Na-Cl 4

Atom x (Å) y (Å) z (Å)
Na1 0.0000 0.0000 0.0000
Cl2 1.9990 -1.6366 0.0000
Cl3 -1.9990 -1.6366 0.0000
Na4 0.0000 -3.2732 0.0000

Atom - Atom Distances (Å)

  Na1 Cl2 Cl3 Na4

Calculated geometries for Na2Cl2 (Disodium dichloride).
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squib reference DOI
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

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