Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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G4
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.512 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PN | Phosphorus mononitride | 1.482 |
Highest value | PN- | phosphorus nitride anion | 1.565 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PN- | phosphorus nitride anion | 1.565 | 1 | 2 |
PN | Phosphorus mononitride | 1.482 | 1 | 2 |
PN+ | phosphorus nitride cation | 1.489 | 1 | 2 |