Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.79 | 1.79 | 1.79 | 1.79 | 1.79 | 1.79 | 1.79 | 1.80 | 1.80 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.791 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeCl2 | Beryllium chloride | 1.789 |
Highest value | BeCl | beryllium monochloride | 1.796 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeCl | beryllium monochloride | 1.796 | 1 | 2 |
BeCl2 | Beryllium chloride | 1.789 | 1 | 2 |
1.789 | 1 | 3 |