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/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.60 | 1.61 | 1.62 | 1.63 | 1.64 | 1.65 | 1.66 | 1.67 | 1.68 | 1.69 | 1.70 | 1.71 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.644 | 0.028 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.605 |
Highest value | AsF | Arsenic monofluoride | 1.699 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.699 | 1 | 2 |
AsF3 | Arsenic trifluoride | 1.668 | 1 | 2 |
1.668 | 1 | 3 | ||
1.668 | 1 | 4 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.605 | 1 | 3 |
1.605 | 1 | 4 | ||
1.605 | 1 | 5 | ||
AsF5 | Arsenic pentafluoride | 1.636 | 1 | 2 |
1.636 | 1 | 3 | ||
1.636 | 1 | 4 | ||
1.652 | 1 | 5 | ||
1.652 | 1 | 6 |