Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/3-21G
6 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.974 | 0.263 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl3 | nitrogen trichloride | 1.824 |
Highest value | NCl | nitrogen monochloride | 2.654 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 2.654 | 1 | 2 |
NCl+ | nitrogen monochloride cation | 2.265 | 1 | 2 |
NH2Cl | chloramine | 1.834 | 1 | 2 |
ClNO | Nitrosyl chloride | 2.012 | 1 | 2 |
NHCl2 | dichloroamine | 1.825 | 1 | 3 |
1.825 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.824 | 1 | 2 |
1.824 | 1 | 3 | ||
1.824 | 1 | 4 | ||
ClNO2 | Nitryl chloride | 1.855 | 1 | 2 |