Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.738 | 0.118 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl+ | nitrogen monochloride cation | 1.449 |
Highest value | NCl3 | nitrogen trichloride | 1.795 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl+ | nitrogen monochloride cation | 1.449 | 1 | 2 |
NH2Cl | chloramine | 1.773 | 1 | 2 |
NHCl2 | dichloroamine | 1.779 | 1 | 3 |
1.779 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.795 | 1 | 2 |
1.795 | 1 | 3 | ||
1.795 | 1 | 4 |