Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/3-21G
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1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.670 | 0.087 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.578 |
Highest value | AlH3+ | aluminum trihydride cation | 2.030 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH- | aluminum monohydride anion | 1.736 | 1 | 2 |
AlH | aluminum monohydride | 1.704 | 1 | 2 |
AlH+ | aluminum monohydride cation | 1.665 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.667 | 1 | 2 |
1.667 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.638 | 1 | 2 |
1.638 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.578 | 1 | 2 |
1.578 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.676 | 1 | 2 |
1.676 | 1 | 3 | ||
1.676 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.617 | 1 | 2 |
1.617 | 1 | 3 | ||
1.617 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 2.030 | 1 | 2 |
1.592 | 1 | 3 | ||
1.592 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.666 | 1 | 2 |
1.666 | 1 | 3 | ||
1.666 | 1 | 4 | ||
1.666 | 1 | 5 | ||
Al2H6 | dialane | 1.765 | 1 | 3 |
1.765 | 1 | 4 | ||
1.605 | 1 | 5 | ||
1.605 | 1 | 6 | ||
1.765 | 2 | 3 | ||
1.765 | 2 | 4 | ||
1.605 | 2 | 7 | ||
1.605 | 2 | 8 |