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 |
PM6
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.74 | 1.75 | 1.75 | 1.76 | 1.76 | 1.77 | 1.77 | 1.78 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.758 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NH2Cl | chloramine | 1.745 |
Highest value | ClNO | Nitrosyl chloride | 1.771 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2Cl | chloramine | 1.745 | 1 | 2 |
ClNO | Nitrosyl chloride | 1.771 | 1 | 2 |