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 SiF2 (Silicon difluoride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
1.02078 0.29432 0.22783
Rotational Constants from NISTtriatomic
Calculated rotational constants for SiF2 (Silicon difluoride).

Point Group C2v

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
rFSi 1.590 1 2 1976Hellwege(II/7) re
aFSiF 100.77 2 1 3 1976Hellwege(II/7)
picture of Silicon difluoride

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Si 2

Atom x (Å) y (Å) z (Å)
Si1 0.0000 0.0000 0.5703
F2 0.0000 1.2249 -0.4436
F3 0.0000 -1.2249 -0.4436

Atom - Atom Distances (Å)

  Si1 F2 F3

Calculated geometries for SiF2 (Silicon difluoride).
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squib reference DOI
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.  
NISTtriatomic NIST Triatomic Spectral Database (  

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