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Compare Calculated Bonds for S-H

17 01 10 14 40

B2PLYP=FULLultrafine/6-31G*

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


Values greater than 2.60 are in the 2.60 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
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.375 0.188

  Species Name Bond Length (Å)
Lowest value C3H7SH 1-Propanethiol 1.125
Highest value H2S- Hydrogen sulfide anion 2.328

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
H2S- Hydrogen sulfide anion 1.352 1 2
    2.328 1 3
H2S Hydrogen sulfide 1.343 1 2
    1.343 1 3
H2S+ Hydrogen sulfide cation 1.356 1 2
    1.356 1 3
HSO+ Sulfur Monoxide, S-protonated 1.378 1 3
CH3SH Methanethiol 1.344 2 3
CH3SH+ Methanethiol cation 1.353 2 3
HSSSH trisulfane 1.348 2 4
    1.348 3 5
NHCHSH Methanimidothioic acid 1.345 3 6
CH3SSH Hydrogen methyl disulfide 1.350 3 4
HSCH2SH Methanedithiol 1.344 2 6
    1.344 3 7
CH3CH2SH ethanethiol 1.345 3 9
CH3CHSHCH3 2-Propanethiol 1.347 2 4
C3H7SH 1-Propanethiol 1.125 11 12
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1.345 5 6
CH3CH(SH)CH2CH3 2-Butanethiol 1.347 1 2
C4H10S2 1,4-Butanedithiol 1.345 1 7
    1.345 2 8
C5H10S Cyclopentanethiol 1.346 15 16
C5H12S 1-Pentanethiol 1.346 1 2
C5H12S 1-Butanethiol, 3-methyl- 1.346 3 4
C5H12S 1-Propanethiol, 2,2-dimethyl- 1.345 4 5
C5H12S 1-Butanethiol, 2-methyl- 1.345 5 6
C5H12S 2-Butanethiol, 3-methyl- 1.344 9 10