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 |
PBEPBE/TZVP
16 | ||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.00 | 1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.243 | 0.138 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.100 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.873 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.199 | 1 | 2 |
N2 | Nitrogen diatomic | 1.104 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.115 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.100 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.243 | 1 | 2 |
N2H2 | (E)-diazene | 1.248 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.168 | 1 | 2 |
H2NN | Isodiazene | 1.211 | 1 | 2 |
N2H4 | Hydrazine | 1.435 | 1 | 2 |
N2H4+ | hydrazine cation | 1.318 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.448 | 1 | 2 |
CNN | Diazocarbene | 1.199 | 2 | 3 |
N3 | azide radical | 1.187 | 1 | 2 |
1.187 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.292 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.206 | 1 | 2 |
N2O | Nitrous oxide | 1.139 | 1 | 2 |
NNS | Nitrogen sulfide | 1.140 | 1 | 2 |
HN3 | hydrogen azide | 1.239 | 1 | 2 |
1.143 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.257 | 1 | 2 |
1.140 | 2 | 3 | ||
NNOH+ | Nitrous Oxide, O-protonated | 1.118 | 1 | 2 |
HNNO+ | Nitrous oxide, N-protonated | 1.151 | 1 | 2 |
HNNNH+ | 1,2-Triazadienium | 1.176 | 1 | 2 |
1.176 | 1 | 3 | ||
NH2NO | Nitrosamide | 1.342 | 2 | 3 |
NH2NO2 | nitramide | 1.408 | 1 | 2 |
CH3N3 | methyl azide | 1.231 | 2 | 3 |
1.148 | 3 | 4 | ||
CH3NHN2+ | methyl azide, protonated | 1.276 | 2 | 3 |
1.122 | 3 | 4 | ||
CH3NNCH3 | (Z)-1,2-Dimethyldiazene | 1.246 | 1 | 2 |
CH3NNCH3 | (E)-1,2-Dimethyldiazene | 1.246 | 1 | 2 |
CH2N4 | 1H-Tetrazole | 1.353 | 2 | 3 |
1.286 | 3 | 4 | ||
1.368 | 4 | 5 | ||
N2O4 | Dinitrogen tetroxide | 1.873 | 1 | 2 |