Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/cc-pVTZ
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.624 | 0.039 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.548 |
Highest value | AlH3+ | aluminum trihydride cation | 1.698 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH- | aluminum monohydride anion | 1.694 | 1 | 2 |
AlH | aluminum monohydride | 1.660 | 1 | 2 |
AlH+ | aluminum monohydride cation | 1.623 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.653 | 1 | 2 |
1.653 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.602 | 1 | 2 |
1.602 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.548 | 1 | 2 |
1.548 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.642 | 1 | 2 |
1.642 | 1 | 3 | ||
1.642 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.585 | 1 | 2 |
1.585 | 1 | 3 | ||
1.585 | 1 | 4 | ||
AlH3+ | aluminum trihydride cation | 1.698 | 1 | 2 |
1.604 | 1 | 3 | ||
1.604 | 1 | 4 | ||
AlH4- | Aluminum tetrahydride anion | 1.642 | 1 | 2 |
1.642 | 1 | 3 | ||
1.642 | 1 | 4 | ||
1.642 | 1 | 5 |