Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/cc-pVTZ
6 | |||||||||||||||||||||||||||||||
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.599 | 0.173 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HClO4 | perchloric acid | 1.426 |
Highest value | HClO3 | Chloric Acid | 2.137 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.567 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.486 | 1 | 2 |
HOCl | hypochlorous acid | 1.687 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.581 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.579 | 1 | 2 |
1.579 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.494 | 1 | 2 |
1.494 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.497 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.661 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.824 | 1 | 3 |
1.824 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.446 | 1 | 3 |
1.446 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.854 | 1 | 2 |
HClO3 | Chloric Acid | 1.719 | 1 | 2 |
2.137 | 1 | 3 | ||
1.466 | 1 | 4 | ||
ClONO2 | Chlorine nitrate | 1.662 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.426 | 1 | 2 |
HClO4 | perchloric acid | 1.426 | 1 | 2 |
1.662 | 1 | 3 | ||
1.436 | 1 | 4 | ||
1.436 | 1 | 5 |