Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/SDD
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.667 | 0.219 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH3+ | aluminum trihydride cation | 1.536 |
Highest value | AlH3+ | aluminum trihydride cation | 2.747 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH | aluminum monohydride | 1.656 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.709 | 1 | 2 |
1.709 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.593 | 1 | 2 |
1.593 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.536 | 1 | 2 |
1.536 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.644 | 1 | 2 |
1.644 | 1 | 3 | ||
1.644 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.580 | 1 | 2 |
1.580 | 1 | 3 | ||
1.580 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 2.747 | 1 | 2 |
1.536 | 1 | 3 | ||
1.536 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.648 | 1 | 2 |
1.648 | 1 | 3 | ||
1.648 | 1 | 4 | ||
1.648 | 1 | 5 | ||
Al2H6 | dialane | 1.750 | 1 | 3 |
1.750 | 1 | 4 | ||
1.569 | 1 | 5 | ||
1.569 | 1 | 6 | ||
1.750 | 2 | 3 | ||
1.750 | 2 | 4 | ||
1.569 | 2 | 7 | ||
1.569 | 2 | 8 |