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=FULL/STO-3G
5 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.869 | 0.051 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl | nitrogen monochloride | 1.778 |
Highest value | ClNO | Nitrosyl chloride | 1.984 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.778 | 1 | 2 |
NCl+ | nitrogen monochloride cation | 1.874 | 1 | 2 |
NH2Cl | chloramine | 1.834 | 1 | 2 |
ClNO | Nitrosyl chloride | 1.984 | 1 | 2 |
NHCl2 | dichloroamine | 1.854 | 1 | 3 |
1.854 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.880 | 1 | 2 |
1.880 | 1 | 3 | ||
1.880 | 1 | 4 |