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 |
CCSD(T)/cc-pVQZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.592 | 0.168 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO2F | Chloryl fluoride | 1.431 |
Highest value | HClO3 | Chloric Acid | 2.133 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.582 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.485 | 1 | 2 |
HOCl | hypochlorous acid | 1.699 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.582 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.483 | 1 | 2 |
1.483 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.495 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.680 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.701 | 1 | 3 |
ClO2F | Chloryl fluoride | 1.431 | 1 | 3 |
1.431 | 1 | 4 | ||
HClO3 | Chloric Acid | 1.691 | 1 | 2 |
2.133 | 1 | 3 | ||
1.448 | 1 | 4 |