Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/aug-cc-pVDZ
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 | 1.74 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.622 | 0.047 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.556 |
Highest value | AlH2- | aluminum dihydride anion | 1.703 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH | aluminum monohydride | 1.675 | 1 | 2 |
AlH2- | aluminum dihydride anion | 1.703 | 1 | 2 |
1.703 | 1 | 3 | ||
AlH2 | aluminum dihydride | 1.608 | 1 | 2 |
1.608 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.556 | 1 | 2 |
1.556 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.635 | 1 | 2 |
1.635 | 1 | 3 | ||
1.635 | 1 | 4 | ||
AlH3 | aluminum trihydride | 1.589 | 1 | 2 |
1.589 | 1 | 3 | ||
1.589 | 1 | 4 |