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/CEP-31G
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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 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.789 | 0.097 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.580 |
Highest value | HClO4 | perchloric acid | 1.988 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO- | chlorine monoxide anion | 1.887 | 1 | 2 |
ClO | Monochlorine monoxide | 1.694 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.580 | 1 | 2 |
HOCl | hypochlorous acid | 1.856 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.668 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.856 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.889 | 1 | 2 |
1.889 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.818 | 1 | 2 |
1.818 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.721 | 1 | 2 |
1.721 | 1 | 3 | ||
OClO+ | Chlorine dioxide cation | 1.679 | 1 | 2 |
1.679 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.736 | 1 | 2 |
ClOO+ | chloroperoxy cation | 1.865 | 1 | 2 |
ClOF | Chlorine hypofluorite | 1.865 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.890 | 1 | 3 |
HOClO | Chlorous acid | 1.941 | 1 | 2 |
1.681 | 1 | 3 | ||
CH3OCl | methyl hypochlorite | 1.863 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.916 | 1 | 3 |
1.916 | 2 | 4 | ||
ClO3- | chlorate anion | 1.764 | 1 | 2 |
1.764 | 1 | 3 | ||
1.764 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.872 | 1 | 2 |
ClONO2 | Chlorine nitrate | 1.853 | 1 | 2 |
ClO4- | perchlorate anion | 1.739 | 1 | 2 |
1.739 | 1 | 3 | ||
1.739 | 1 | 4 | ||
1.739 | 1 | 5 | ||
HClO4 | perchloric acid | 1.663 | 1 | 2 |
1.988 | 1 | 3 | ||
1.683 | 1 | 4 | ||
1.683 | 1 | 5 |