Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/6-31G
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4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
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2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | 2.06 | 2.07 | 2.08 | 2.09 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.024 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al(CH3)3 | trimethyl aluminum | 2.004 |
Highest value | AlCN | Aluminum monocyanide | 2.071 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 2.039 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.071 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 2.004 | 1 | 2 |
2.004 | 1 | 3 | ||
2.004 | 1 | 4 |