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**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.44 | 1.44 | 1.45 | 1.45 | 1.45 | 1.45 | 1.45 | 1.46 | 1.46 | 1.46 | 1.46 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.450 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Se | Hydrogen selenide | 1.444 |
Highest value | HSe+ | selenium monohydride cation | 1.460 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe- | selenium monohydride anion | 1.455 | 1 | 2 |
HSe | Selenium monohydride | 1.447 | 1 | 2 |
HSe+ | selenium monohydride cation | 1.460 | 1 | 2 |
H2Se | Hydrogen selenide | 1.444 | 1 | 2 |
1.444 | 1 | 3 | ||
H2Se+ | Hydrogen selenide cation | 1.456 | 1 | 2 |
1.456 | 1 | 3 | ||
H3Se+ | Hydrogen Selenide, protonated | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
1.452 | 1 | 4 | ||
H2Se2 | hydrogen diselenide | 1.446 | 1 | 3 |
1.446 | 2 | 4 | ||
CH3SeH | Methane selenol | 1.444 | 1 | 3 |