National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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

Listing of experimental geometry data for Ne2 (Neon diatomic)

No experimental rotational constants available.
Calculated rotational constants for Ne2 (Neon diatomic).

Point Group D∞h

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
rNeNe 3.100 1 2 webbook re
picture of Neon diatomic

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
Ne-Ne 1

Atom x (Å) y (Å) z (Å)
Ne1 0.0000 0.0000 0.0000
Ne2 0.0000 0.0000 3.1000

Atom - Atom Distances (Å)

  Ne1 Ne2
Ne13.1000
Ne23.1000

Calculated geometries for Ne2 (Neon diatomic).
References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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