Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.260 | 0.050 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO | Nitric oxide | 1.162 |
Highest value | N2O3 | Dinitrogen trioxide | 1.298 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.162 | 1 | 2 |
HCNO | fulminic acid | 1.275 | 1 | 2 |
N2O3 | Dinitrogen trioxide | 1.270 | 1 | 3 |
1.298 | 2 | 4 | ||
1.296 | 2 | 5 |