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 |
B2PLYP=FULL/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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.688 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsF3H+ | Arsenic trifluoride, protonated | 1.670 |
Highest value | AsF | Arsenic monofluoride | 1.742 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsF | Arsenic monofluoride | 1.742 | 1 | 2 |
AsF3H+ | Arsenic trifluoride, protonated | 1.670 | 1 | 3 |
1.670 | 1 | 4 | ||
1.670 | 1 | 5 |