Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/6-311+G(3df,2p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.511 | 0.049 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.418 |
Highest value | HOCl+ | hypochlorous acid cation | 1.553 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.550 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.418 | 1 | 2 |
HOCl+ | hypochlorous acid cation | 1.553 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.549 | 1 | 2 |
1.549 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.478 | 1 | 2 |
1.478 | 1 | 3 |