Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP2/TZVP
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.080 | 0.071 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeS+ | selenium monosulfide cation | 2.002 |
Highest value | SeS- | selenium monosulfide anion | 2.174 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeS- | selenium monosulfide anion | 2.174 | 1 | 2 |
SeS | Selenium monosulfide | 2.065 | 1 | 2 |
SeS+ | selenium monosulfide cation | 2.002 | 1 | 2 |