Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-31G*
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1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.802 | 0.156 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl+ | nitrogen monochloride cation | 1.454 |
Highest value | ClNO | Nitrosyl chloride | 2.056 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl+ | nitrogen monochloride cation | 1.454 | 1 | 2 |
NH2Cl | chloramine | 1.775 | 1 | 2 |
ClNO | Nitrosyl chloride | 2.056 | 1 | 2 |
NHCl2 | dichloroamine | 1.781 | 1 | 3 |
1.781 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.797 | 1 | 2 |
1.797 | 1 | 3 | ||
1.797 | 1 | 4 | ||
ClNO2 | Nitryl chloride | 1.983 | 1 | 2 |