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 |
CCSD(T)/6-31G**
8 | |||||||||||||||||||||||||||||||
7 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.655 | 0.158 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF3 | Chlorine trifluoride oxide | 1.456 |
Highest value | HClO3 | Chloric Acid | 2.174 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.632 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.523 | 1 | 2 |
HOCl | hypochlorous acid | 1.734 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.603 | 1 | 3 |
DOCl | Hypochlorous acid-d | 1.733 | 1 | 3 |
Cl2O | Dichlorine monoxide | 1.743 | 1 | 2 |
1.743 | 1 | 3 | ||
OClO- | Chlorine dioxide anion | 1.630 | 1 | 2 |
1.630 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.531 | 1 | 2 |
1.531 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.538 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.719 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.772 | 1 | 3 |
1.772 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.472 | 1 | 3 |
1.472 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.745 | 1 | 2 |
HClO3 | Chloric Acid | 1.757 | 1 | 2 |
2.174 | 1 | 3 | ||
1.495 | 1 | 4 | ||
ClOF3 | Chlorine trifluoride oxide | 1.456 | 1 | 2 |