Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP4/TZVP
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.77 | 1.78 | 1.78 | 1.79 | 1.79 | 1.80 | 1.80 | 1.81 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.793 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NH2Cl | chloramine | 1.776 |
Highest value | NCl3 | nitrogen trichloride | 1.803 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2Cl | chloramine | 1.776 | 1 | 2 |
NHCl2 | dichloroamine | 1.785 | 1 | 3 |
1.785 | 1 | 4 | ||
NCl3 | nitrogen trichloride | 1.803 | 1 | 2 |
1.803 | 1 | 3 | ||
1.803 | 1 | 4 |