Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.840 | 0.091 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeCl+ | beryllium monochloride cation | 1.743 |
Highest value | BeCl- | beryllium monochloride anion | 1.990 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeCl- | beryllium monochloride anion | 1.990 | 1 | 2 |
BeCl+ | beryllium monochloride cation | 1.743 | 1 | 2 |
BeCl2 | Beryllium chloride | 1.814 | 1 | 2 |
1.814 | 1 | 3 |