Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/cc-pV(T+d)Z
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1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.153 | 0.091 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | P2 | Phosphorus diatomic | 1.912 |
Highest value | P2H4 | Diphosphine | 2.198 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
P2 | Phosphorus diatomic | 1.912 | 1 | 2 |
P2H4 | Diphosphine | 2.198 | 1 | 2 |
P4 | Phosphorus tetramer | 2.185 | 1 | 2 |
2.185 | 1 | 3 | ||
2.185 | 1 | 4 | ||
2.185 | 2 | 3 | ||
2.185 | 2 | 4 | ||
2.185 | 3 | 4 |