Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-311G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.00 | 1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | 5.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.054 | 1.312 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Cl+ | dihydrogen monochloride cation | 1.293 |
Highest value | HCl- | hydrogen chloride anion | 4.325 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl- | hydrogen chloride anion | 4.325 | 1 | 2 |
HCl+ | hydrogen chloride cation | 1.302 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.293 | 1 | 2 |
1.293 | 1 | 3 |