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 |
HF/CEP-31G*
16 | ||||||||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
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 |
---|---|
1.270 | 0.112 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.095 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.586 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.194 | 1 | 2 |
N2 | Nitrogen diatomic | 1.104 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.117 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.095 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.235 | 1 | 2 |
N2H2 | (E)-diazene | 1.234 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.164 | 1 | 2 |
H2NN | Isodiazene | 1.237 | 1 | 2 |
N2H4 | Hydrazine | 1.426 | 1 | 2 |
N2H4+ | hydrazine cation | 1.309 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.438 | 1 | 2 |
CNN | Diazocarbene | 1.267 | 2 | 3 |
N3 | azide radical | 1.182 | 1 | 2 |
1.182 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.263 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.237 | 1 | 2 |
N2O | Nitrous oxide | 1.115 | 1 | 2 |
NNS | Nitrogen sulfide | 1.111 | 1 | 2 |
HN3 | hydrogen azide | 1.262 | 1 | 2 |
1.123 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.322 | 1 | 2 |
1.131 | 2 | 3 | ||
NNOH+ | Nitrous Oxide, O-protonated | 1.098 | 1 | 2 |
HNNO+ | Nitrous oxide, N-protonated | 1.149 | 1 | 2 |
CH2N2 | diazirine | 1.211 | 2 | 3 |
CH2NN | diazomethane | 1.142 | 2 | 3 |
HNNNH+ | 1,2-Triazadienium | 1.180 | 1 | 2 |
1.180 | 1 | 3 | ||
NH2NO | Nitrosamide | 1.333 | 2 | 3 |
ONNO | NO dimer | 1.506 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.212 | 2 | 3 |
N2F2 | (Z)-Difluorodiazene | 1.212 | 2 | 3 |
NH2NO2 | nitramide | 1.371 | 1 | 2 |
CH3N3 | methyl azide | 1.245 | 2 | 3 |
1.126 | 3 | 4 | ||
CH3NHN2+ | methyl azide, protonated | 1.288 | 2 | 3 |
1.109 | 3 | 4 | ||
CH3NNCH3 | (Z)-1,2-Dimethyldiazene | 1.231 | 1 | 2 |
CH3NNCH3 | (E)-1,2-Dimethyldiazene | 1.228 | 1 | 2 |
CH3NHNHCH3 | dimethyl hydrazine | 1.416 | 1 | 2 |
N2O3 | Dinitrogen trioxide | 1.581 | 1 | 2 |
CH2N4 | 1H-Tetrazole | 1.338 | 2 | 3 |
1.268 | 3 | 4 | ||
1.352 | 4 | 5 | ||
C3H4N2 | 1H-Pyrazole | 1.341 | 7 | 9 |
CH5N3S | Hydrazinecarbothioamide | 1.398 | 2 | 10 |
N2O4 | Dinitrogen tetroxide | 1.586 | 1 | 2 |
C2H2N4 | sym-tetrazine | 1.302 | 4 | 5 |
1.302 | 3 | 6 | ||
CH3N5 | 5-Aminotetrazole | 1.352 | 3 | 4 |
1.259 | 4 | 5 | ||
1.354 | 5 | 6 | ||
C4H4N2 | Pyridazine | 1.324 | 9 | 10 |
C2H4N4 | 1H-Tetrazole, 5-methyl- | 1.341 | 7 | 8 |
1.352 | 1 | 9 | ||
1.263 | 8 | 9 | ||
C2H4N4 | 2H-Tetrazole, 2-methyl- | 1.294 | 4 | 5 |
1.320 | 3 | 6 | ||
1.301 | 5 | 6 | ||
C2H6N2O2 | Dimethylnitroamine | 1.360 | 11 | 12 |
C2H6N2O2 | (E)-Azodioxymethane | 1.253 | 1 | 2 |
CH6N4S | Carbonothioic dihydrazide | 1.393 | 3 | 4 |
1.399 | 5 | 6 | ||
C12H10N2 | azobenzene | 1.231 | 1 | 2 |