Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/LANL2DZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.902 | 0.169 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl+ | nitrogen monochloride cation | 1.500 |
Highest value | ClNO | Nitrosyl chloride | 2.172 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.763 | 1 | 2 |
NCl+ | nitrogen monochloride cation | 1.500 | 1 | 2 |
NH2Cl | chloramine | 1.864 | 1 | 2 |
ClNO | Nitrosyl chloride | 2.172 | 1 | 2 |
NHCl2 | dichloroamine | 1.904 | 1 | 3 |
1.904 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.954 | 1 | 2 |
1.954 | 1 | 3 | ||
1.954 | 1 | 4 | ||
ClNO2 | Nitryl chloride | 2.051 | 1 | 2 |