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 |
CCD/3-21G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.67 | 1.68 | 1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.704 | 0.024 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.672 |
Highest value | AsF | Arsenic monofluoride | 1.751 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.751 | 1 | 2 |
AsF3 | Arsenic trifluoride | 1.722 | 1 | 2 |
1.722 | 1 | 3 | ||
1.722 | 1 | 4 | ||
AsF3H+ | Arsenic trifluoride, protonated | 1.672 | 1 | 3 |
1.672 | 1 | 4 | ||
1.672 | 1 | 5 | ||
AsF5 | Arsenic pentafluoride | 1.694 | 1 | 2 |
1.694 | 1 | 3 | ||
1.694 | 1 | 4 | ||
1.715 | 1 | 5 | ||
1.715 | 1 | 6 |