Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/aug-cc-pVQZ
6 | ||||||||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||||||||
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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 |
---|---|
1.224 | 0.134 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.059 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.589 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.150 | 1 | 2 |
N2 | Nitrogen diatomic | 1.066 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.083 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.059 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.209 | 1 | 2 |
N2H2 | (E)-diazene | 1.207 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.131 | 1 | 2 |
H2NN | Isodiazene | 1.206 | 1 | 2 |
N2H4 | Hydrazine | 1.408 | 1 | 2 |
N2H4+ | hydrazine cation | 1.287 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.422 | 1 | 2 |
CNN | Diazocarbene | 1.227 | 2 | 3 |
N3 | azide radical | 1.149 | 1 | 2 |
1.149 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.242 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.191 | 1 | 2 |
N2O | Nitrous oxide | 1.081 | 1 | 2 |
NNS | Nitrogen sulfide | 1.074 | 1 | 2 |
HN3 | hydrogen azide | 1.233 | 1 | 2 |
1.086 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.304 | 1 | 2 |
1.081 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.146 | 1 | 2 |
1.146 | 1 | 3 | ||
NH2NO | Nitrosamide | 1.305 | 2 | 3 |
ONNO | NO dimer | 1.514 | 1 | 2 |
CH3NHNHCH3 | dimethyl hydrazine | 1.399 | 1 | 2 |
N2O4 | Dinitrogen tetroxide | 1.589 | 1 | 2 |
C2H2N4 | sym-tetrazine | 1.285 | 4 | 5 |
1.285 | 3 | 6 |