Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-311+G(3df,2p)
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 |
---|---|
1.255 | 0.100 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HNO+ | Nitrosyl hydride cation | 1.133 |
Highest value | NH2OH2+ | protonated hydroxylamine | 1.459 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.157 | 1 | 2 |
HNO | Nitrosyl hydride | 1.217 | 2 | 3 |
HNO+ | Nitrosyl hydride cation | 1.133 | 2 | 3 |
NH2OH+ | Hydroxylamine cation | 1.276 | 1 | 2 |
NH3OH+ | N-protonated hydroxylamine | 1.392 | 1 | 2 |
NH2OH2+ | protonated hydroxylamine | 1.459 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.210 | 1 | 3 |
CH3NO2 | Methane, nitro- | 1.226 | 2 | 6 |
1.226 | 2 | 7 |