Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.456 | 0.095 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.335 |
Highest value | FONO | Nitrosyl hypofluorite | 1.639 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.335 | 1 | 2 |
HOF | Hypofluorous acid | 1.416 | 1 | 3 |
F2O | Difluorine monoxide | 1.397 | 1 | 2 |
1.397 | 1 | 3 | ||
ClOF | Chlorine hypofluorite | 1.421 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.554 | 3 | 4 |
1.554 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.639 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.392 | 2 | 5 |