Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.539 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PN | Phosphorus mononitride | 1.511 |
Highest value | PN+ | phosphorus nitride cation | 1.575 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PN- | phosphorus nitride anion | 1.531 | 1 | 2 |
PN | Phosphorus mononitride | 1.511 | 1 | 2 |
PN+ | phosphorus nitride cation | 1.575 | 1 | 2 |