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 |
MP3/6-31+G**
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.037 | 0.061 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PCl+ | phosphorus monochloride cation | 1.946 |
Highest value | PCl5 | Phosphorus pentachloride | 2.150 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PCl- | phosphorus monochloride anion | 2.122 | 1 | 2 |
PCl | phosphorus chloride | 2.044 | 1 | 2 |
PCl+ | phosphorus monochloride cation | 1.946 | 1 | 2 |
OPCl | Phosphorus oxychloride | 2.069 | 1 | 3 |
PCl3 | Phosphorus trichloride | 1.977 | 1 | 2 |
1.977 | 1 | 3 | ||
1.977 | 1 | 4 | ||
Cl3PO | Phosphoryl chloride | 2.010 | 1 | 3 |
2.010 | 1 | 4 | ||
2.010 | 1 | 5 | ||
PCl5 | Phosphorus pentachloride | 2.037 | 1 | 2 |
2.037 | 1 | 3 | ||
2.037 | 1 | 4 | ||
2.150 | 1 | 5 | ||
2.150 | 1 | 6 |