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/cc-pV(T+d)Z
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | 1.64 | 1.64 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.615 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlF3 | Aluminum trifluoride | 1.610 |
Highest value | AlF | Aluminum monofluoride | 1.642 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlF | Aluminum monofluoride | 1.642 | 1 | 2 |
AlF3 | Aluminum trifluoride | 1.610 | 1 | 2 |
1.610 | 1 | 3 | ||
1.610 | 1 | 4 | ||
AlFCl2 | Aluminum dichloride fluoride | 1.612 | 1 | 2 |
AlF2Cl | Aluminum chloride difluoride | 1.611 | 1 | 3 |
1.611 | 1 | 4 |