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Compare Calculated Bonds for H-S

17 01 10 14 40

MP3/cc-pCVTZ

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.

histogram chart 18 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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histogram chart 12 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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histogram chart 8 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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histogram chart 4 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 2 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line histogram chart line line line line line line line
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
1.382 0.062

  Species Name Bond Length (Å)
Lowest value CH3SH Methanethiol 1.334
Highest value Si3H8 trisilane 1.483

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HS Mercapto radical 1.335 1 2
H2S Hydrogen sulfide 1.335 1 2
    1.335 1 3
H2S+ Hydrogen sulfide cation 1.354 1 2
    1.354 1 3
H3S+ Sulfonium cation 1.348 1 2
    1.348 1 3
    1.348 1 4
HS2 Thiosulfeno radical 1.343 2 3
H2S2 Disulfane 1.337 1 3
    1.337 2 4
H2S2+ hydrogen disulfide cation 1.347 1 3
    1.347 2 4
H2CSH+ Thioformaldehyde, protonated 1.347 1 5
CH3SH Methanethiol 1.334 2 3
CH3SH+ Methanethiol cation 1.349 2 3
CH3SH2+ protonated methylsulfide 1.344 2 6
    1.344 2 7
CH3SSH Hydrogen methyl disulfide 1.339 3 4
CH3CH2SH ethanethiol 1.336 3 9
Si3H8 trisilane 1.483 1 4
    1.483 1 5
    1.480 2 6
    1.480 2 8
    1.480 2 9
    1.480 3 7
    1.480 3 10
    1.480 3 11