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 SiH3F (monofluorosilane)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
Rotational Constants from 1950Sha/Tho:64
Calculated rotational constants for SiH3F (monofluorosilane).

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
rSiH 1.476 1 3 1998Kuc r0 value
rSiF 1.595 1 2 1998Kuc r0 value
aHSiF 108.269 2 1 3 1998Kuc a0 value
aHSiH 110.64 3 1 4 1998Kuc from symmetry
picture of monofluorosilane

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-Si 3
F-Si 1

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.4986
F2 0.0000 0.0000 -1.0959
H3 0.0000 1.4017 0.9613
H4 -1.2139 -0.7008 0.9613
H5 1.2139 -0.7008 0.9613

Atom - Atom Distances (Å)

  Si1 F2 H3 H4 H5

Calculated geometries for SiH3F (monofluorosilane).
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squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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