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/daug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.08 | 1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.159 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | N2- | nitrogen diatomic anion | 1.100 |
Highest value | HN3 | hydrogen azide | 1.237 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.100 | 1 | 2 |
N2 | Nitrogen diatomic | 1.100 | 1 | 2 |
H2NN | Isodiazene | 1.213 | 1 | 2 |
CNN | Diazocarbene | 1.203 | 2 | 3 |
N2O | Nitrous oxide | 1.127 | 1 | 2 |
HN3 | hydrogen azide | 1.237 | 1 | 2 |
1.131 | 2 | 3 |