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 SF2 (sulfur difluoride)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
0.89897 0.30728 0.22835
Rotational Constants from NISTtriatomic
Calculated rotational constants for SF2 (sulfur 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
rSF 1.587 1 2 1998Kuc
aFSF 98.048 2 1 3 1998Kuc
picture of sulfur difluoride

Bond descriptions

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

Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.5511
F2 0.0000 1.1985 -0.4899
F3 0.0000 -1.1985 -0.4899

Atom - Atom Distances (Å)

  S1 F2 F3

Calculated geometries for SF2 (sulfur difluoride).
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squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  
NISTtriatomic NIST Triatomic Spectral Database (  

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