Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3/6-311+G(3df,2p)
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3 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.721 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl | nitrogen monochloride | 1.617 |
Highest value | NCl3 | nitrogen trichloride | 1.740 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.617 | 1 | 2 |
NH2Cl | chloramine | 1.739 | 1 | 2 |
NHCl2 | dichloroamine | 1.737 | 1 | 3 |
1.737 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.740 | 1 | 2 |
1.740 | 1 | 3 | ||
1.740 | 1 | 4 |