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 |
MP3/aug-cc-pCVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.45 | 1.45 | 1.46 | 1.46 | 1.46 | 1.46 | 1.46 | 1.47 | 1.47 | 1.47 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.460 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | OPCl | Phosphorus oxychloride | 1.453 |
Highest value | PO | Phosphorus monoxide | 1.467 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PO | Phosphorus monoxide | 1.467 | 1 | 2 |
OPCl | Phosphorus oxychloride | 1.453 | 1 | 2 |