Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/CEP-31G
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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 |
---|---|
1.793 | 0.154 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.632 |
Highest value | HClO3 | Chloric Acid | 2.354 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.746 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.632 | 1 | 2 |
HOCl | hypochlorous acid | 1.817 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.703 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.823 | 1 | 2 |
1.823 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.721 | 1 | 2 |
1.721 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.689 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.814 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.865 | 1 | 3 |
1.865 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.683 | 1 | 3 |
1.683 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.854 | 1 | 2 |
HClO3 | Chloric Acid | 1.905 | 1 | 2 |
2.354 | 1 | 3 | ||
1.717 | 1 | 4 | ||
ClOF3 | Chlorine trifluoride oxide | 1.653 | 1 | 2 |