Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G*
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 | 2.40 | 2.50 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.656 | 0.230 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClFO3 | Perchloryl fluoride | 1.461 |
Highest value | ClOO | chloroperoxy radical | 2.303 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.610 | 1 | 2 |
HOCl | hypochlorous acid | 1.712 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.712 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.722 | 1 | 2 |
1.722 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.526 | 1 | 2 |
1.526 | 1 | 3 | ||
ClOO | chloroperoxy radical | 2.303 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.461 | 2 | 3 |
1.461 | 2 | 4 | ||
1.461 | 2 | 5 |