Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/daug-cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.174 | 0.079 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.100 |
Highest value | HN3+ | Hydrazoic acid cation | 1.350 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.129 | 1 | 2 |
N2 | Nitrogen diatomic | 1.129 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.124 | 1 | 2 |
HN3+ | Hydrazoic acid cation | 1.350 | 1 | 2 |
1.100 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.195 | 1 | 2 |
1.195 | 1 | 3 |