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Compare Calculated Bonds for H-S

17 01 10 14 40

B2PLYP=FULLultrafine/6-311G*

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


Values greater than 1.52 are in the 1.52 bin. Values less than 1.34 are in the 1.34 bin.

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1.34 1.36 1.38 1.40 1.42 1.44 1.46 1.48 1.50 1.52
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.384 0.055

  Species Name Bond Length (Å)
Lowest value HSCH2SH Methanedithiol 1.347
Highest value Si3H8 trisilane 1.487

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS- mercapto anion 1.358 1 2
HS+ sulfur monohydride cation 1.367 1 2
H2S+ Hydrogen sulfide cation 1.360 1 2
    1.360 1 3
H3S+ Sulfonium cation 1.354 1 2
    1.354 1 3
    1.354 1 4
HSO+ Sulfur Monoxide, S-protonated 1.386 1 3
H2S2 Disulfane 1.349 1 3
    1.349 2 4
H2S2+ hydrogen disulfide cation 1.355 1 3
    1.355 2 4
HOSH hydrogen thioperoxide 1.354 1 3
NH2SH Thiohydroxylamine 1.349 2 3
H2CSH+ Thioformaldehyde, protonated 1.356 1 5
CH3SH+ Methanethiol cation 1.357 2 3
CH3SH2+ protonated methylsulfide 1.352 2 6
    1.352 2 7
HSCN thiocyanic acid 1.349 1 4
NHCHSH Methanimidothioic acid 1.348 3 6
CH2CHSH Ethenethiol 1.348 3 7
CH3SSH Hydrogen methyl disulfide 1.351 3 4
HSCH2SH Methanedithiol 1.347 2 6
    1.347 3 7
CH3CH2SH ethanethiol 1.348 3 9
Si3H8 trisilane 1.487 1 4
    1.487 1 5
    1.483 2 6
    1.483 2 8
    1.483 2 9
    1.483 3 7
    1.483 3 10
    1.483 3 11
C(CH3)3SH 2-Propanethiol, 2-methyl- 1.348 2 6
C4H9SH 1-Butanethiol 1.347 1 6