Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/cc-pVQZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.195 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO2+ | Nitrogen dioxide cation | 1.118 |
Highest value | N2O- | Nitrous oxide anion | 1.284 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.145 | 1 | 2 |
HNO+ | Nitrosyl hydride cation | 1.121 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.284 | 2 | 3 |
NO2- | Nitrogen dioxide anion | 1.253 | 1 | 2 |
1.253 | 1 | 3 | ||
NO2+ | Nitrogen dioxide cation | 1.118 | 1 | 2 |
1.118 | 1 | 3 | ||
NO3+ | nitrogen trioxide cation | 1.218 | 1 | 2 |
1.218 | 1 | 3 | ||
1.218 | 1 | 4 |