Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/STO-3G
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1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.901 | 0.210 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.707 |
Highest value | HClO3 | Chloric Acid | 2.509 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.776 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.707 | 1 | 2 |
HOCl | hypochlorous acid | 1.826 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.762 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.936 | 1 | 2 |
1.936 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.817 | 1 | 2 |
1.817 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.760 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.890 | 1 | 2 |
HClO3 | Chloric Acid | 2.175 | 1 | 2 |
2.509 | 1 | 3 | ||
1.795 | 1 | 4 |