Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/3-21G*
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1.70 | 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 |
---|---|
1.869 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl | nitrogen monochloride | 1.716 |
Highest value | ClNO | Nitrosyl chloride | 2.056 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.716 | 1 | 2 |
NH2Cl | chloramine | 1.839 | 1 | 2 |
ClNO | Nitrosyl chloride | 2.056 | 1 | 2 |
NHCl2 | dichloroamine | 1.856 | 1 | 3 |
1.856 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.877 | 1 | 2 |
1.877 | 1 | 3 | ||
1.877 | 1 | 4 |