Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/TZVP
7 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.644 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.567 |
Highest value | AlH- | aluminum monohydride anion | 1.731 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH- | aluminum monohydride anion | 1.731 | 1 | 2 |
AlH | aluminum monohydride | 1.684 | 1 | 2 |
AlH+ | aluminum monohydride cation | 1.643 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.718 | 1 | 2 |
1.718 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.616 | 1 | 2 |
1.616 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.567 | 1 | 2 |
1.567 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.646 | 1 | 2 |
1.646 | 1 | 3 | ||
1.646 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.596 | 1 | 2 |
1.596 | 1 | 3 | ||
1.596 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 1.661 | 1 | 2 |
1.661 | 1 | 3 | ||
1.661 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.651 | 1 | 2 |
1.651 | 1 | 3 | ||
1.651 | 1 | 4 | ||
1.651 | 1 | 5 |