Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.477 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 1.433 |
Highest value | BeO | beryllium oxide | 1.528 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO | beryllium oxide | 1.528 | 1 | 2 |
BeO+ | Beryllium monoxide cation | 1.465 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.433 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
BeCO3 | Beryllium Carbonate | 1.498 | 3 | 4 |
1.498 | 3 | 5 |