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Compare Calculated Bonds for S-Al

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B3LYP/CEP-121G

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


Values greater than 2.21 are in the 2.21 bin. Values less than 2.12 are in the 2.12 bin.

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2.12 2.13 2.14 2.15 2.16 2.17 2.18 2.19 2.20 2.21
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.155 0.033

  Species Name Bond Length (Å)
Lowest value AlS+ aluminum monosulfide cation 2.122
Highest value AlS- aluminum monosulfide anion 2.200

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
AlS- aluminum monosulfide anion 2.200 1 2
AlS Aluminum sulfide 2.144 1 2
AlS+ aluminum monosulfide cation 2.122 1 2