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 |
MP2=FULL/6-31G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.07 | 2.08 | 2.09 | 2.10 | 2.11 | 2.12 | 2.13 | 2.14 | 2.15 | 2.16 | 2.17 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.105 | 0.039 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | P2 | Phosphorus diatomic | 2.077 |
Highest value | P2- | phosphorus diatomic anion | 2.160 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
P2- | phosphorus diatomic anion | 2.160 | 1 | 2 |
P2 | Phosphorus diatomic | 2.077 | 1 | 2 |
PPO | Phosphorus oxide phosphide | 2.078 | 1 | 2 |