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Compare Calculated Bonds for S-H

17 01 10 14 40

HF/SDD

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


Values greater than 3.40 are in the 3.40 bin. Values less than 1.00 are in the 1.00 bin.

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1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20 3.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.395 0.243

  Species Name Bond Length (Å)
Lowest value HNS Sulfur imide 1.014
Highest value H2S- Hydrogen sulfide anion 3.258

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
DS Mercapto-d 1.359 1 2
HS- mercapto anion 1.375 1 2
HS Mercapto radical 1.359 1 2
HS+ sulfur monohydride cation 1.372 1 2
H2S- Hydrogen sulfide anion 1.374 1 2
    3.258 1 3
H2S Hydrogen sulfide 1.351 1 2
    1.351 1 3
H2S+ Hydrogen sulfide cation 1.361 1 2
    1.361 1 3
D2S Hydrogen sulfide-d2 1.351 1 2
    1.351 1 3
H3S+ Sulfonium cation 1.351 1 2
    1.351 1 3
    1.351 1 4
HNS Sulfur imide 1.014 1 3
HS2 Thiosulfeno radical 1.352 2 3
HSO+ Sulfur Monoxide, S-protonated 1.371 1 3
H2S2 Disulfane 1.352 1 3
    1.352 2 4
H2S2+ hydrogen disulfide cation 1.357 1 3
    1.357 2 4
HOSH hydrogen thioperoxide 1.353 1 3
NH2SH Thiohydroxylamine 1.354 2 3
H2CSH+ Thioformaldehyde, protonated 1.354 1 5
CH3SH Methanethiol 1.352 2 3
CH3SH+ Methanethiol cation 1.359 2 3
CH3SH2+ protonated methylsulfide 1.349 2 6
    1.349 2 7
HSCN thiocyanic acid 1.352 1 4
HSSSH trisulfane 1.352 2 4
    1.352 3 5
NHCHSH Methanimidothioic acid 1.349 3 6
CH2CHSH Ethenethiol 1.350 3 7
CH3SSH Hydrogen methyl disulfide 1.352 3 4
HSCH2SH Methanedithiol 1.351 2 6
    1.351 3 7
CH3CH2SH ethanethiol 1.352 3 9
Si3H8 trisilane 1.486 1 4
    1.486 1 5
    1.484 2 6
    1.484 2 8
    1.484 2 9
    1.484 3 7
    1.484 3 10
    1.484 3 11
CH2SHCH2SH 1,2-Ethanedithiol 1.352 3 5
    1.352 4 6
CH3CHSHCH3 2-Propanethiol 1.354 2 4
C3H7SH 1-Propanethiol 1.353 11 12
C3H8S2 1,3-Propanedithiol 1.352 6 8
    1.352 7 9
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.353 2 6
C4H9SH 1-Butanethiol 1.353 1 6
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.352 5 6
CH3CH(SH)CH2CH3 2-Butanethiol 1.353 1 2
C4H10S2 1,4-Butanedithiol 1.352 1 7
    1.352 2 8
C5H10S Cyclopentanethiol 1.353 15 16
C5H12S 1-Pentanethiol 1.353 1 2
C5H12S 1-Butanethiol, 3-methyl- 1.353 3 4
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.352 4 5
C5H12S 1-Butanethiol, 2-methyl- 1.352 5 6
C5H12S 2-Butanethiol, 3-methyl- 1.352 9 10