Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
PM3
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.729 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlF+ | Aluminum monofluoride cation | 1.635 |
Highest value | AlF- | Aluminum monofluoride anion | 1.804 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlF- | Aluminum monofluoride anion | 1.804 | 1 | 2 |
AlF | Aluminum monofluoride | 1.748 | 1 | 2 |
AlF+ | Aluminum monofluoride cation | 1.635 | 1 | 2 |