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/6-31G
5 | ||||||||||||||||||||||||||||
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3 | ||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||
1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.905 | 0.088 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl | nitrogen monochloride | 1.781 |
Highest value | ClNO | Nitrosyl chloride | 2.098 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.781 | 1 | 2 |
NCl+ | nitrogen monochloride cation | 1.781 | 1 | 2 |
NH2Cl | chloramine | 1.886 | 1 | 2 |
ClNO | Nitrosyl chloride | 2.098 | 1 | 2 |
NHCl2 | dichloroamine | 1.907 | 1 | 3 |
1.907 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.928 | 1 | 2 |
1.928 | 1 | 3 | ||
1.928 | 1 | 4 |