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 |
CCSD(T)=FULL/cc-pCVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.08 | 1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.161 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.096 |
Highest value | N2H2 | (E)-diazene | 1.250 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.101 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.096 | 1 | 2 |
N2H2 | (E)-diazene | 1.250 | 1 | 2 |
N3 | azide radical | 1.180 | 1 | 2 |
1.180 | 1 | 3 | ||
N2O | Nitrous oxide | 1.130 | 1 | 2 |
HN3 | hydrogen azide | 1.244 | 1 | 2 |
1.133 | 2 | 3 | ||
CH2NN | diazomethane | 1.139 | 2 | 3 |