Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/6-311G*
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0 | ||||||||||||||||||||||||||||
2.48 | 2.50 | 2.52 | 2.54 | 2.56 | 2.58 | 2.60 | 2.62 | 2.64 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.548 | 0.063 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al2 | Aluminum diatomic | 2.485 |
Highest value | Al2H6 | dialane | 2.611 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Al2 | Aluminum diatomic | 2.485 | 1 | 2 |
Al2H6 | dialane | 2.611 | 1 | 2 |