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Compare Calculated Bonds for H-S

17 01 10 14 40

B1B95/CEP-31G

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


Values greater than 1.40 are in the 1.40 bin. Values less than 1.39 are in the 1.39 bin.

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1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.39 1.40 1.40 1.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.389 0.002

  Species Name Bond Length (Å)
Lowest value CH3SH Methanethiol 1.387
Highest value HS Mercapto radical 1.398

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS Mercapto radical 1.398 1 2
H2S Hydrogen sulfide 1.388 1 2
    1.388 1 3
D2S Hydrogen sulfide-d2 1.388 1 2
    1.388 1 3
H2S2 Disulfane 1.391 1 3
    1.391 2 4
CH3SH Methanethiol 1.387 2 3
CH3CH2SH ethanethiol 1.388 3 9
CH2SHCH2SH 1,2-Ethanedithiol 1.389 3 5
    1.389 4 6
CH3CHSHCH3 2-Propanethiol 1.390 2 4
C3H7SH 1-Propanethiol 1.389 11 12
C3H8S2 1,3-Propanedithiol 1.389 6 8
    1.389 7 9
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.389 5 6
CH3CH(SH)CH2CH3 2-Butanethiol 1.390 1 2
C4H10S2 1,4-Butanedithiol 1.389 1 7
    1.389 2 8
C5H10S Cyclopentanethiol 1.389 15 16
C5H12S 1-Pentanethiol 1.389 1 2
C5H12S 1-Butanethiol, 3-methyl- 1.390 3 4
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.388 4 5
C5H12S 1-Butanethiol, 2-methyl- 1.388 5 6
C5H12S 2-Butanethiol, 3-methyl- 1.388 9 10