Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.674 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NCl+ | nitrogen monochloride cation | 1.498 |
Highest value | NCl3 | nitrogen trichloride | 1.757 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NCl | nitrogen monochloride | 1.599 | 1 | 2 |
NCl+ | nitrogen monochloride cation | 1.498 | 1 | 2 |
NCl3 | nitrogen trichloride | 1.757 | 1 | 2 |
1.757 | 1 | 3 | ||
1.757 | 1 | 4 |