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=FULL/aug-cc-pVQZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.456 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOF | Hypofluorous acid | 1.421 |
Highest value | FO | Oxygen monofluoride | 1.499 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.472 | 1 | 2 |
FO | Oxygen monofluoride | 1.499 | 1 | 2 |
HOF | Hypofluorous acid | 1.421 | 1 | 3 |
ClOF | Chlorine hypofluorite | 1.433 | 2 | 3 |