Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP2/cc-pVDZ
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.608 | 0.152 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF3 | Chlorine trifluoride oxide | 1.440 |
Highest value | HClO3 | Chloric Acid | 2.198 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO- | chlorine monoxide anion | 1.745 | 1 | 2 |
ClO | Monochlorine monoxide | 1.622 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.474 | 1 | 2 |
HOCl | hypochlorous acid | 1.730 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.578 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.729 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.746 | 1 | 2 |
1.746 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.608 | 1 | 2 |
1.608 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.528 | 1 | 2 |
1.528 | 1 | 3 | ||
OClO+ | Chlorine dioxide cation | 1.502 | 1 | 2 |
1.502 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.725 | 1 | 2 |
ClOO+ | chloroperoxy cation | 1.721 | 1 | 2 |
FClO | chlorosyl fluoride | 1.513 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.726 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.745 | 1 | 3 |
HOClO | Chlorous acid | 1.790 | 1 | 2 |
1.521 | 1 | 3 | ||
CH3OCl | methyl hypochlorite | 1.734 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.781 | 1 | 3 |
1.781 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.466 | 1 | 3 |
1.466 | 1 | 4 | ||
ClO3- | chlorate anion | 1.526 | 1 | 2 |
1.526 | 1 | 3 | ||
1.526 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.741 | 1 | 2 |
HClO3 | Chloric Acid | 1.799 | 1 | 2 |
2.198 | 1 | 3 | ||
1.473 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.449 | 2 | 3 |
1.449 | 2 | 4 | ||
1.449 | 2 | 5 | ||
ClONO2 | Chlorine nitrate | 1.717 | 1 | 2 |
ClO4- | perchlorate anion | 1.492 | 1 | 2 |
1.492 | 1 | 3 | ||
1.492 | 1 | 4 | ||
1.492 | 1 | 5 | ||
ClOF3 | Chlorine trifluoride oxide | 1.440 | 1 | 2 |
HClO4 | perchloric acid | 1.448 | 1 | 2 |
1.716 | 1 | 3 | ||
1.458 | 1 | 4 | ||
1.458 | 1 | 5 |