Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/3-21G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.660 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlO+ | aluminum monoxide cation | 1.621 |
Highest value | H3AlO3 | Aluminum hydroxide | 1.685 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlO- | Aluminum monoxide anion | 1.643 | 1 | 2 |
AlO | Aluminum monoxide | 1.639 | 1 | 2 |
AlO+ | aluminum monoxide cation | 1.621 | 1 | 2 |
H3AlO3 | Aluminum hydroxide | 1.685 | 1 | 2 |
1.685 | 1 | 3 | ||
1.685 | 1 | 4 |