Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.408 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeF2 | Beryllium fluoride | 1.387 |
Highest value | BeF- | Beryllium monofluoride anion | 1.448 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeF- | Beryllium monofluoride anion | 1.448 | 1 | 2 |
BeF2 | Beryllium fluoride | 1.387 | 1 | 2 |
1.387 | 1 | 3 |