Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/6-31G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | 1.01 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.010 | 0.001 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3CH2NH2 | Ethylamine | 1.008 |
Highest value | NH2OH | hydroxylamine | 1.012 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH3 | Ammonia | 1.010 | 1 | 2 |
1.010 | 1 | 3 | ||
1.010 | 1 | 4 | ||
NH2OH | hydroxylamine | 1.012 | 1 | 4 |
1.012 | 1 | 5 | ||
CH3CH2NH2 | Ethylamine | 1.008 | 1 | 9 |
1.008 | 1 | 10 |