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Compare Calculated Bonds for H-S

17 01 10 14 40

HF/cc-pV(T+d)Z

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


Values greater than 1.52 are in the 1.52 bin. Values less than 1.32 are in the 1.32 bin.

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1.32 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
1.370 0.063

  Species Name Bond Length (Å)
Lowest value CH3CH2SH ethanethiol 1.327
Highest value Si3H8 trisilane 1.481

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS- mercapto anion 1.336 1 2
HS Mercapto radical 1.330 1 2
H2S Hydrogen sulfide 1.327 1 2
    1.327 1 3
H2S+ Hydrogen sulfide cation 1.343 1 2
    1.343 1 3
D2S Hydrogen sulfide-d2 1.327 1 2
    1.327 1 3
H3S+ Sulfonium cation 1.338 1 2
    1.338 1 3
    1.338 1 4
HSO+ Sulfur Monoxide, S-protonated 1.360 1 3
H2S2 Disulfane 1.328 1 3
    1.328 2 4
H2S2+ hydrogen disulfide cation 1.336 1 3
    1.336 2 4
H2CSH+ Thioformaldehyde, protonated 1.335 1 5
CH3SH Methanethiol 1.327 2 3
CH3SH2+ protonated methylsulfide 1.334 2 6
    1.334 2 7
HSSSH trisulfane 1.329 2 4
    1.329 3 5
CH3SSH Hydrogen methyl disulfide 1.329 3 4
CH3CH2SH ethanethiol 1.327 3 9
Si3H8 trisilane 1.481 1 4
    1.481 1 5
    1.478 2 6
    1.478 2 8
    1.478 2 9
    1.478 3 7
    1.478 3 10
    1.478 3 11