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(T)/6-31G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.598 | 0.025 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH3 | aluminum trihydride | 1.581 |
Highest value | AlH | aluminum monohydride | 1.652 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH | aluminum monohydride | 1.652 | 1 | 2 |
AlH2 | aluminum dihydride | 1.596 | 1 | 2 |
1.596 | 1 | 3 | ||
AlH3 | aluminum trihydride | 1.581 | 1 | 2 |
1.581 | 1 | 3 | ||
1.581 | 1 | 4 |