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=FULL/aug-cc-pVDZ
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.641 | 0.165 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF3 | Chlorine trifluoride oxide | 1.442 |
Highest value | HClO3 | Chloric Acid | 2.245 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.612 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.477 | 1 | 2 |
HOCl | hypochlorous acid | 1.730 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.590 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.730 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.743 | 1 | 2 |
1.743 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.607 | 1 | 2 |
1.607 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.533 | 1 | 2 |
1.533 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.726 | 1 | 2 |
FClO | chlorosyl fluoride | 1.517 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.714 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.744 | 1 | 3 |
HOClO | Chlorous acid | 1.778 | 1 | 2 |
1.528 | 1 | 3 | ||
ClOOCl | Dichlorine dioxide | 1.760 | 1 | 3 |
1.760 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.475 | 1 | 3 |
1.475 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.713 | 1 | 2 |
HClO3 | Chloric Acid | 1.832 | 1 | 2 |
2.245 | 1 | 3 | ||
1.485 | 1 | 4 | ||
ClOF3 | Chlorine trifluoride oxide | 1.442 | 1 | 2 |
HClO4 | perchloric acid | 1.458 | 1 | 2 |
1.732 | 1 | 3 | ||
1.467 | 1 | 4 | ||
1.467 | 1 | 5 |