Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/3-21G
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0 | ||||||||||||||||||||||||||||||||||
2.20 | 2.21 | 2.22 | 2.23 | 2.24 | 2.25 | 2.26 | 2.27 | 2.28 | 2.29 | 2.30 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.245 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgS | magnesium sulfide | 2.206 |
Highest value | MgS+ | magnesium sulfide cation | 2.280 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgS- | magnesium sulfide anion | 2.249 | 1 | 2 |
MgS | magnesium sulfide | 2.206 | 1 | 2 |
MgS+ | magnesium sulfide cation | 2.280 | 1 | 2 |