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Compare Calculated Bonds for H-S

17 01 10 14 40

PBEPBEultrafine/6-31G*

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.40 are in the 2.40 bin. Values less than 1.30 are in the 1.30 bin.

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1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30 2.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.398 0.124

  Species Name Bond Length (Å)
Lowest value H2S Hydrogen sulfide 1.359
Highest value H2S- Hydrogen sulfide anion 2.292

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS- mercapto anion 1.371 1 2
HS Mercapto radical 1.365 1 2
HS+ sulfur monohydride cation 1.381 1 2
H2S- Hydrogen sulfide anion 1.364 1 2
    2.292 1 3
H2S Hydrogen sulfide 1.359 1 2
    1.359 1 3
H2S+ Hydrogen sulfide cation 1.374 1 2
    1.374 1 3
D2S Hydrogen sulfide-d2 1.359 1 2
    1.359 1 3
H3S+ Sulfonium cation 1.368 1 2
    1.368 1 3
    1.368 1 4
HS2 Thiosulfeno radical 1.378 2 3
HSO+ Sulfur Monoxide, S-protonated 1.406 1 3
H2S2 Disulfane 1.366 1 3
    1.366 2 4
H2S2+ hydrogen disulfide cation 1.369 1 3
    1.369 2 4
HOSH hydrogen thioperoxide 1.372 1 3
NH2SH Thiohydroxylamine 1.365 2 3
H2CSH+ Thioformaldehyde, protonated 1.369 1 5
CH3SH Methanethiol 1.360 2 3
CH3SH+ Methanethiol cation 1.371 2 3
CH3SH2+ protonated methylsulfide 1.366 2 6
    1.366 2 7
HSCN thiocyanic acid 1.363 1 4
HSSSH trisulfane 1.367 2 4
    1.367 3 5
NHCHSH Methanimidothioic acid 1.361 3 6
CH2CHSH Ethenethiol 1.361 3 7
CH3SSH Hydrogen methyl disulfide 1.369 3 4
HSCH2SH Methanedithiol 1.360 2 6
    1.360 3 7
CH3CH2SH ethanethiol 1.361 3 9
Si3H8 trisilane 1.505 1 4
    1.505 1 5
    1.502 2 6
    1.502 2 8
    1.502 2 9
    1.502 3 7
    1.502 3 10
    1.502 3 11
CH2SHCH2SH 1,2-Ethanedithiol 1.360 3 5
    1.360 4 6
CH3CHSHCH3 2-Propanethiol 1.362 2 4
C3H7SH 1-Propanethiol 1.360 11 12
C3H8S2 1,3-Propanedithiol 1.360 6 8
    1.360 7 9
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.362 2 6
C4H9SH 1-Butanethiol 1.360 1 6
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.359 5 6
CH3CH(SH)CH2CH3 2-Butanethiol 1.363 1 2
C4H10S2 1,4-Butanedithiol 1.360 1 7
    1.360 2 8
C5H10S Cyclopentanethiol 1.361 15 16
C5H12S 1-Pentanethiol 1.360 1 2
C5H12S 1-Butanethiol, 3-methyl- 1.361 3 4
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.359 4 5
C5H12S 1-Butanethiol, 2-methyl- 1.360 5 6
C5H12S 2-Butanethiol, 3-methyl- 1.360 9 10