Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/cc-pVQZ
5 | ||||||||||||||||||||||
4 | ||||||||||||||||||||||
3 | ||||||||||||||||||||||
2 | ||||||||||||||||||||||
1 | ||||||||||||||||||||||
0 | ||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.177 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO+ | nitric oxide cation | 1.053 |
Highest value | N2O- | Nitrous oxide anion | 1.294 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.138 | 1 | 2 |
NO+ | nitric oxide cation | 1.053 | 1 | 2 |
HNO+ | Nitrosyl hydride cation | 1.113 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.294 | 2 | 3 |
NO2- | Nitrogen dioxide anion | 1.249 | 1 | 2 |
1.249 | 1 | 3 | ||
NO2+ | Nitrogen dioxide cation | 1.110 | 1 | 2 |
1.110 | 1 | 3 | ||
NO3+ | nitrogen trioxide cation | 1.210 | 1 | 2 |
1.210 | 1 | 3 | ||
1.210 | 1 | 4 |