Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)=FULL/TZVP
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.440 | 0.040 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeO | beryllium oxide | 1.362 |
Highest value | BeCO3 | Beryllium Carbonate | 1.488 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO | beryllium oxide | 1.362 | 1 | 2 |
BeO+ | Beryllium monoxide cation | 1.449 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.423 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.435 | 1 | 2 |
1.435 | 1 | 3 | ||
BeCO3 | Beryllium Carbonate | 1.488 | 3 | 4 |
1.488 | 3 | 5 |