National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
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 SiH3Cl (chlorosilane)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
2.84470 0.22261 0.22261
Rotational Constants from 1984Bur/Sch:349
Calculated rotational constants for SiH3Cl (chlorosilane).

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 1.475 1 3 1998Kuc r0 value
rSiCl 2.051 1 2 1998Kuc r0 value
aHSiCl 108.295 2 1 3 1998Kuc a0 value
aHSiH 110.62 3 1 4 1998Kuc from symmetry
picture of chlorosilane

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
Si-Cl 1

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 -0.9844
Cl2 0.0000 0.0000 1.0661
H3 0.0000 1.4004 -1.4474
H4 1.2128 -0.7002 -1.4474
H5 -1.2128 -0.7002 -1.4474

Atom - Atom Distances (Å)

  Si1 Cl2 H3 H4 H5

Calculated geometries for SiH3Cl (chlorosilane).
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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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