Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/STO-3G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.31 | 1.31 | 1.32 | 1.32 | 1.33 | 1.33 | 1.34 | 1.34 | 1.35 | 1.35 | 1.36 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.336 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeF+ | Beryllium monofluoride cation | 1.313 |
Highest value | BeF2 | Beryllium fluoride | 1.350 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeF- | Beryllium monofluoride anion | 1.347 | 1 | 2 |
BeF | Beryllium monofluoride | 1.320 | 1 | 2 |
BeF+ | Beryllium monofluoride cation | 1.313 | 1 | 2 |
BeF2 | Beryllium fluoride | 1.350 | 1 | 2 |
1.350 | 1 | 3 |