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/6-31G*
14 | |||||||||||||||||||||||||||||||
12 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.650 | 0.121 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.544 |
Highest value | AlH3+ | aluminum trihydride cation | 2.204 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH- | aluminum monohydride anion | 1.701 | 1 | 2 |
AlH | aluminum monohydride | 1.652 | 1 | 2 |
AlH+ | aluminum monohydride cation | 1.595 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.695 | 1 | 2 |
1.695 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.596 | 1 | 2 |
1.596 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.544 | 1 | 2 |
1.544 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.643 | 1 | 2 |
1.643 | 1 | 3 | ||
1.643 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.584 | 1 | 2 |
1.584 | 1 | 3 | ||
1.584 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 2.204 | 1 | 2 |
1.545 | 1 | 3 | ||
1.545 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.651 | 1 | 2 |
1.651 | 1 | 3 | ||
1.651 | 1 | 4 | ||
1.651 | 1 | 5 | ||
Al2H6 | dialane | 1.748 | 1 | 3 |
1.748 | 1 | 4 | ||
1.575 | 1 | 5 | ||
1.575 | 1 | 6 | ||
1.748 | 2 | 3 | ||
1.748 | 2 | 4 | ||
1.575 | 2 | 7 | ||
1.575 | 2 | 8 |