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/cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.778 | 0.033 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeCl+ | beryllium monochloride cation | 1.720 |
Highest value | BeCl | beryllium monochloride | 1.800 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeCl | beryllium monochloride | 1.800 | 1 | 2 |
BeCl+ | beryllium monochloride cation | 1.720 | 1 | 2 |
BeCl2 | Beryllium chloride | 1.795 | 1 | 2 |
1.795 | 1 | 3 |