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/cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.43 | 1.43 | 1.43 | 1.43 | 1.43 | 1.44 | 1.44 | 1.44 | 1.44 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.433 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | OPCl | Phosphorus oxychloride | 1.426 |
Highest value | PO | Phosphorus monoxide | 1.439 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO | Phosphorus monoxide | 1.439 | 1 | 2 |
OPCl | Phosphorus oxychloride | 1.426 | 1 | 2 |