National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
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 SiH4 (Silane)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
2.86509 2.86509 2.86509
Rotational Constants from 1955Boyd:922
Calculated rotational constants for SiH4 (Silane).

Point Group Td

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
rSiH 1.480 1 2 1955Boyd:922 +- 0.0004
aHSiH 109.47122 2 1 3 by symmetry
picture of Silane

Bond descriptions

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

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.0000
H2 0.8544 0.8544 0.8544
H3 -0.8544 -0.8544 0.8544
H4 -0.8544 0.8544 -0.8544
H5 0.8544 -0.8544 -0.8544

Atom - Atom Distances (Å)

  Si1 H2 H3 H4 H5

Calculated geometries for SiH4 (Silane).
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squib reference DOI
1955Boyd:922 DRJ Boyd, "Infrared Spectrum of Trideuterosilane and the structure of the silane molecule" J. Chem. Phys. 23(5), 922, 1955 10.1063/1.1742148

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