Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/6-311+G(3df,2p)
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1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.189 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.079 |
Highest value | N2H4 | Hydrazine | 1.424 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.111 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.105 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.170 | 1 | 2 |
H2NN | Isodiazene | 1.210 | 1 | 2 |
N2H4 | Hydrazine | 1.424 | 1 | 2 |
CNN | Diazocarbene | 1.222 | 2 | 3 |
N3 | azide radical | 1.169 | 1 | 2 |
1.169 | 1 | 3 | ||
N2O | Nitrous oxide | 1.152 | 1 | 2 |
HN3 | hydrogen azide | 1.237 | 1 | 2 |
1.143 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.323 | 1 | 2 |
1.079 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.164 | 1 | 2 |
1.164 | 1 | 3 |