Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-311+G(3df,2p)
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.533 | 0.163 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClFO3 | Perchloryl fluoride | 1.364 |
Highest value | HClO3 | Chloric Acid | 2.090 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.581 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.447 | 1 | 2 |
HOCl | hypochlorous acid | 1.644 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.519 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.644 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.646 | 1 | 2 |
1.646 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.530 | 1 | 2 |
1.530 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.423 | 1 | 2 |
1.423 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.676 | 1 | 2 |
FClO | chlorosyl fluoride | 1.448 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.637 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.382 | 1 | 3 |
1.382 | 1 | 4 | ||
HClO3 | Chloric Acid | 1.585 | 1 | 2 |
2.090 | 1 | 3 | ||
1.403 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.364 | 2 | 3 |
1.364 | 2 | 4 | ||
1.364 | 2 | 5 |