Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/Def2TZVPP
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | 1.83 | 1.84 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.784 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeS | beryllium sulfide | 1.731 |
Highest value | BeS+ | Beryllium monosulfide cation | 1.821 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeS- | Beryllium monosulfide anion | 1.799 | 1 | 2 |
BeS | beryllium sulfide | 1.731 | 1 | 2 |
BeS+ | Beryllium monosulfide cation | 1.821 | 1 | 2 |