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Compare Calculated Bonds for S-H

17 01 10 14 40

CCD/aug-cc-pV(T+d)Z

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


Values greater than 1.36 are in the 1.36 bin. Values less than 1.34 are in the 1.34 bin.

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1.34 1.34 1.34 1.34 1.34 1.35 1.35 1.35 1.35 1.35 1.36 1.36
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.344 0.007

  Species Name Bond Length (Å)
Lowest value CH3SH Methanethiol 1.336
Highest value H2S+ Hydrogen sulfide cation 1.355

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS Mercapto radical 1.338 1 2
H2S Hydrogen sulfide 1.336 1 2
    1.336 1 3
H2S+ Hydrogen sulfide cation 1.355 1 2
    1.355 1 3
H3S+ Sulfonium cation 1.350 1 2
    1.350 1 3
    1.350 1 4
H2S2 Disulfane 1.339 1 3
    1.339 2 4
H2S2+ hydrogen disulfide cation 1.348 1 3
    1.348 2 4
CH3SH Methanethiol 1.336 2 3
CH3SH2+ protonated methylsulfide 1.346 2 6
    1.346 2 7
HSSSH trisulfane 1.339 2 4
    1.339 3 5