Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/6-311G*
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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 |
---|---|
1.990 | 0.024 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al(CH3)3 | trimethyl aluminum | 1.978 |
Highest value | AlCN | Aluminum monocyanide | 2.038 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 1.981 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.038 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 1.978 | 1 | 2 |
1.978 | 1 | 3 | ||
1.978 | 1 | 4 |