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/cc-pV(T+d)Z
14 | |||||||||||||||||||||||||||||||
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.528 | 0.157 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClFO3 | Perchloryl fluoride | 1.404 |
Highest value | HClO3 | Chloric Acid | 2.125 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.558 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.444 | 1 | 2 |
HOCl | hypochlorous acid | 1.689 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.700 | 1 | 2 |
1.700 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.473 | 1 | 2 |
1.473 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.716 | 1 | 2 |
FClO | chlorosyl fluoride | 1.476 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.672 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.422 | 1 | 3 |
1.422 | 1 | 4 | ||
ClO3- | chlorate anion | 1.478 | 1 | 2 |
1.478 | 1 | 3 | ||
1.478 | 1 | 4 | ||
HClO3 | Chloric Acid | 1.702 | 1 | 2 |
2.125 | 1 | 3 | ||
1.438 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.404 | 2 | 3 |
1.404 | 2 | 4 | ||
1.404 | 2 | 5 | ||
ClO4- | perchlorate anion | 1.445 | 1 | 2 |
1.445 | 1 | 3 | ||
1.445 | 1 | 4 | ||
1.445 | 1 | 5 | ||
HClO4 | perchloric acid | 1.404 | 1 | 2 |
1.637 | 1 | 3 | ||
1.412 | 1 | 4 | ||
1.412 | 1 | 5 |