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 |
B2PLYP=FULL/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.60 | 2.62 | 2.64 | 2.66 | 2.68 | 2.70 | 2.72 | 2.74 | 2.76 | 2.78 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.680 | 0.061 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al2H6 | dialane | 2.619 |
Highest value | Al2 | Aluminum diatomic | 2.742 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Al2 | Aluminum diatomic | 2.742 | 1 | 2 |
Al2H6 | dialane | 2.619 | 1 | 2 |