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 |
MP2/cc-pV(D+d)Z
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.28 | 1.28 | 1.29 | 1.29 | 1.30 | 1.30 | 1.31 | 1.31 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.299 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCl | Hydrogen chloride | 1.280 |
Highest value | H2Cl+ | dihydrogen monochloride cation | 1.308 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl | Hydrogen chloride | 1.280 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.308 | 1 | 2 |
1.308 | 1 | 3 |