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 |
HF/Def2TZVPP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.96 | 1.97 | 1.98 | 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.983 | 0.025 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al(CH3)3 | trimethyl aluminum | 1.969 |
Highest value | AlCN | Aluminum monocyanide | 2.033 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 1.975 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.033 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 1.969 | 1 | 2 |
1.969 | 1 | 3 | ||
1.969 | 1 | 4 |