Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP3/6-311+G(3df,2p)
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 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 |
---|---|
1.217 | 0.167 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.081 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.667 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.090 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.084 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.157 | 1 | 2 |
N2H4 | Hydrazine | 1.429 | 1 | 2 |
N3 | azide radical | 1.165 | 1 | 2 |
1.165 | 1 | 3 | ||
N2O | Nitrous oxide | 1.111 | 1 | 2 |
HN3+ | Hydrazoic acid cation | 1.317 | 1 | 2 |
1.081 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.166 | 1 | 2 |
1.166 | 1 | 3 | ||
N2O4 | Dinitrogen tetroxide | 1.667 | 1 | 2 |