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 |
AM1
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
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 |
---|---|
1.194 | 0.049 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.127 |
Highest value | HN3+ | Hydrazoic acid cation | 1.303 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2NN | Isodiazene | 1.195 | 1 | 2 |
CNN | Diazocarbene | 1.218 | 2 | 3 |
N3 | azide radical | 1.180 | 1 | 2 |
1.180 | 1 | 3 | ||
N2O | Nitrous oxide | 1.128 | 1 | 2 |
HN3 | hydrogen azide | 1.244 | 1 | 2 |
1.137 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.303 | 1 | 2 |
1.127 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.195 | 1 | 2 |
1.195 | 1 | 3 | ||
C12H10N2 | azobenzene | 1.231 | 1 | 2 |