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 |
ROHF/aug-cc-pV(T+d)Z
6 | ||||||||||
5 | ||||||||||
4 | ||||||||||
3 | ||||||||||
2 | ||||||||||
1 | ||||||||||
0 | ||||||||||
1.58 | 1.59 | 1.60 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.590 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PF6- | Hexafluorophosphate ion | 1.590 |
Highest value | PF6- | Hexafluorophosphate ion | 1.590 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PF6- | Hexafluorophosphate ion | 1.590 | 1 | 2 |
1.590 | 1 | 3 | ||
1.590 | 1 | 4 | ||
1.590 | 1 | 5 | ||
1.590 | 1 | 6 | ||
1.590 | 1 | 7 |