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 |
QCISD(TQ)/6-31+G**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.39 | 1.40 | 1.40 | 1.41 | 1.41 | 1.42 | 1.42 | 1.43 | 1.43 | 1.44 | 1.44 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.424 | 0.020 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BeOH | beryllium monohydroxide | 1.395 |
Highest value | Be(OH)2 | Beryllium hydroxide | 1.439 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BeOH | beryllium monohydroxide | 1.395 | 1 | 2 |
Be(OH)2 | Beryllium hydroxide | 1.439 | 1 | 2 |
1.439 | 1 | 3 |