Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/LANL2DZ
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1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.785 | 0.114 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.569 |
Highest value | HOClO | Chlorous acid | 2.056 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO- | chlorine monoxide anion | 1.882 | 1 | 2 |
ClO | Monochlorine monoxide | 1.688 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.569 | 1 | 2 |
HOCl | hypochlorous acid | 1.848 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.652 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.849 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.889 | 1 | 2 |
1.889 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.820 | 1 | 2 |
1.820 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.717 | 1 | 2 |
1.717 | 1 | 3 | ||
OClO+ | Chlorine dioxide cation | 1.673 | 1 | 2 |
1.673 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.733 | 1 | 2 |
ClOO+ | chloroperoxy cation | 1.906 | 1 | 2 |
ClOF | Chlorine hypofluorite | 1.869 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.890 | 1 | 3 |
HOClO | Chlorous acid | 2.056 | 1 | 2 |
1.614 | 1 | 3 | ||
CH3OCl | methyl hypochlorite | 1.855 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.911 | 1 | 3 |
1.911 | 2 | 4 | ||
ClO3- | chlorate anion | 1.763 | 1 | 2 |
1.763 | 1 | 3 | ||
1.763 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.864 | 1 | 2 |
ClONO2 | Chlorine nitrate | 1.853 | 1 | 2 |
ClO4- | perchlorate anion | 1.722 | 1 | 2 |
1.722 | 1 | 3 | ||
1.722 | 1 | 4 | ||
1.722 | 1 | 5 | ||
HClO4 | perchloric acid | 1.627 | 1 | 2 |
2.013 | 1 | 3 | ||
1.649 | 1 | 4 | ||
1.649 | 1 | 5 |