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/TZVP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.454 | 0.025 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 1.427 |
Highest value | BeCO3 | Beryllium Carbonate | 1.492 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO | beryllium oxide | 1.440 | 1 | 2 |
BeO+ | Beryllium monoxide cation | 1.451 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.427 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.439 | 1 | 2 |
1.439 | 1 | 3 | ||
BeCO3 | Beryllium Carbonate | 1.492 | 3 | 4 |
1.492 | 3 | 5 |