Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
CID/3-21G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.857 | 0.125 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeCl+ | beryllium monochloride cation | 1.744 |
Highest value | BeCl- | beryllium monochloride anion | 2.068 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeCl- | beryllium monochloride anion | 2.068 | 1 | 2 |
BeCl+ | beryllium monochloride cation | 1.744 | 1 | 2 |
BeCl2 | Beryllium chloride | 1.808 | 1 | 2 |
1.808 | 1 | 3 |