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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 | |
QCISD/6-31G
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| 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.746 | 0.026 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.717 |
| Highest value | AsF | Arsenic monofluoride | 1.807 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AsF | Arsenic monofluoride | 1.807 | 1 | 2 |
| AsF3 | Arsenic trifluoride | 1.765 | 1 | 2 |
| 1.765 | 1 | 3 | ||
| 1.765 | 1 | 4 | ||
| AsF3H+ | Arsenic trifluoride, protonated | 1.717 | 1 | 3 |
| 1.717 | 1 | 4 | ||
| 1.717 | 1 | 5 | ||
| AsF5 | Arsenic pentafluoride | 1.732 | 1 | 2 |
| 1.732 | 1 | 3 | ||
| 1.732 | 1 | 4 | ||
| 1.750 | 1 | 5 | ||
| 1.750 | 1 | 6 |