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/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.333 | 0.089 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3 | hydrogen azide | 1.218 |
Highest value | HN3+ | Hydrazoic acid cation | 1.562 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.286 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.290 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.299 | 1 | 2 |
N2H4+ | hydrazine cation | 1.393 | 1 | 2 |
CNN | Diazocarbene | 1.426 | 2 | 3 |
N3 | azide radical | 1.286 | 1 | 2 |
1.286 | 1 | 3 | ||
N2O- | Nitrous oxide anion | 1.332 | 1 | 2 |
HN3 | hydrogen azide | 1.369 | 1 | 2 |
1.218 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.562 | 1 | 2 |
1.250 | 2 | 3 |