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 |
QCISD/3-21G*
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.513 | 0.023 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.468 |
Highest value | FO- | flourine oxide anion | 1.556 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.556 | 1 | 2 |
FO | Oxygen monofluoride | 1.468 | 1 | 2 |
HOF | Hypofluorous acid | 1.513 | 1 | 3 |
ClOF | Chlorine hypofluorite | 1.516 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.520 | 3 | 4 |
1.520 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.498 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.511 | 2 | 3 |