Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/6-311G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.39 | 1.39 | 1.39 | 1.40 | 1.40 | 1.40 | 1.40 | 1.40 | 1.41 | 1.41 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.397 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 1.390 |
Highest value | BeO+ | Beryllium monoxide cation | 1.404 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeO+ | Beryllium monoxide cation | 1.404 | 1 | 2 |
BeOH | beryllium monohydroxide | 1.390 | 1 | 2 |