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 AsH3 (Arsine)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
Rotational Constants from 1955Ble/Jac:684
Calculated rotational constants for AsH3 (Arsine).

Point Group C3v

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
rHAs 1.511 1 2 1976Hellwege(II/7) re
aHAsH 92.083 2 1 3 1976Hellwege(II/7)
picture of Arsine

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-As 3

Atom x (Å) y (Å) z (Å)
As1 0.0000 0.0000 0.0700
H2 0.0000 1.2558 -0.7700
H3 1.0875 -0.6279 -0.7700
H4 -1.0875 -0.6279 -0.7700

Atom - Atom Distances (Å)

  As1 H2 H3 H4

Calculated geometries for AsH3 (Arsine).
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squib reference DOI
1955Ble/Jac:684 GS Blevins, AW Jache, W Gordy "Millimeter Wave Spectra of AsH3 and AsD3" Phys. Rev. 97(3), 684, 1955 10.1103/PhysRev.97.684
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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