Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(TQ)=FULL/cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.200 | 0.058 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.113 |
Highest value | N2H4+ | hydrazine cation | 1.319 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.215 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.113 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.259 | 1 | 2 |
N2H2 | (E)-diazene | 1.264 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.184 | 1 | 2 |
N2H4+ | hydrazine cation | 1.319 | 1 | 2 |
N3 | azide radical | 1.197 | 1 | 2 |
1.197 | 1 | 3 | ||
N2O- | Nitrous oxide anion | 1.216 | 1 | 2 |
N2O | Nitrous oxide | 1.145 | 1 | 2 |
NNOH+ | Nitrous Oxide, O-protonated | 1.124 | 1 | 2 |
HNNO+ | Nitrous oxide, N-protonated | 1.167 | 1 | 2 |