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 |
MP4/daug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.304 | 0.129 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HNO+ | Nitrosyl hydride cation | 1.103 |
Highest value | NH2OH2+ | protonated hydroxylamine | 1.493 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.142 | 1 | 2 |
HNO+ | Nitrosyl hydride cation | 1.103 | 2 | 3 |
NH2OH+ | Hydroxylamine cation | 1.296 | 1 | 2 |
NH3OH+ | N-protonated hydroxylamine | 1.409 | 1 | 2 |
NH2OH2+ | protonated hydroxylamine | 1.493 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.223 | 1 | 3 |
C2H2N2O | Furazan | 1.384 | 1 | 2 |
1.384 | 1 | 3 |