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 |
HF/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.45 | 1.45 | 1.45 | 1.46 | 1.46 | 1.46 | 1.46 | 1.46 | 1.47 | 1.47 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.458 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Se2 | hydrogen diselenide | 1.451 |
Highest value | HSe+ | selenium monohydride cation | 1.466 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe- | selenium monohydride anion | 1.458 | 1 | 2 |
HSe | Selenium monohydride | 1.452 | 1 | 2 |
HSe+ | selenium monohydride cation | 1.466 | 1 | 2 |
H2Se+ | Hydrogen selenide cation | 1.462 | 1 | 2 |
1.462 | 1 | 3 | ||
H3Se+ | Hydrogen Selenide, protonated | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
1.458 | 1 | 4 | ||
H2Se2 | hydrogen diselenide | 1.451 | 1 | 3 |
1.451 | 2 | 4 |