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 |
ROMP2/6-31+G**
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | 1.36 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.210 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.153 |
Highest value | N2H4+ | hydrazine cation | 1.323 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.216 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.155 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.193 | 1 | 2 |
N2H4+ | hydrazine cation | 1.323 | 1 | 2 |
CNN | Diazocarbene | 1.171 | 2 | 3 |
N3 | azide radical | 1.206 | 1 | 2 |
1.206 | 1 | 3 | ||
N2O- | Nitrous oxide anion | 1.190 | 1 | 2 |
HN3 | hydrogen azide | 1.254 | 1 | 2 |
1.159 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.291 | 1 | 2 |
1.153 | 2 | 3 |