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/aug-cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.597 | 0.077 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO+ | chlorine monoxide cation | 1.451 |
Highest value | ClONO | chlorine nitrite | 1.715 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.621 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.451 | 1 | 2 |
HOCl+ | hypochlorous acid cation | 1.581 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.609 | 1 | 2 |
1.609 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.542 | 1 | 2 |
1.542 | 1 | 3 | ||
ClOO+ | chloroperoxy cation | 1.702 | 1 | 2 |
ClONO | chlorine nitrite | 1.715 | 1 | 2 |