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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)=FULL/cc-pVDZ
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| 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.499 | 0.095 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | FO | Oxygen monofluoride | 1.374 |
| Highest value | FOOF | Perfluoroperoxide | 1.643 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| FO | Oxygen monofluoride | 1.374 | 1 | 2 |
| HOF | Hypofluorous acid | 1.461 | 1 | 3 |
| ClOF | Chlorine hypofluorite | 1.465 | 2 | 3 |
| FOOF | Perfluoroperoxide | 1.643 | 3 | 4 |
| 1.643 | 1 | 2 | ||
| FONO | Nitrosyl hypofluorite | 1.456 | 1 | 2 |
| CF3OF | Trifluoromethylhypofluorite | 1.454 | 2 | 3 |