Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.67 | 1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.696 | 0.021 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF5 | Arsenic pentafluoride | 1.672 |
Highest value | AsF | Arsenic monofluoride | 1.740 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.740 | 1 | 2 |
AsF3 | Arsenic trifluoride | 1.707 | 1 | 2 |
1.707 | 1 | 3 | ||
1.707 | 1 | 4 | ||
AsF5 | Arsenic pentafluoride | 1.672 | 1 | 2 |
1.672 | 1 | 3 | ||
1.672 | 1 | 4 | ||
1.696 | 1 | 5 | ||
1.696 | 1 | 6 |