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 H2S (Hydrogen sulfide)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
10.34657 9.03572 4.72680
Rotational Constants from 1975Coo/DeL:237
Calculated rotational constants for H2S (Hydrogen sulfide).

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
rSH 1.336 1 2 1975Coo/DeL:237
aHSH 92.11 2 1 3 1975Coo/DeL:237
picture of Hydrogen sulfide

Bond descriptions

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

Atom x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.1030
H2 0.0000 0.9616 -0.8239
H3 0.0000 -0.9616 -0.8239

Atom - Atom Distances (Å)

  S1 H2 H3

Calculated geometries for H2S (Hydrogen sulfide).
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squib reference DOI
1975Coo/DeL:237 RL Cook, FC De Lucia, P Helminger "Molecular Force Field and Structure of Hydrogen Sulfide: Recent Microwave Results" Journal of Molecular Structure 28 (1975) 237-246 10.1016/0022-2860(75)80094-9

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