Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/STO-3G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.042 | 0.117 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiP- | Silicon monophosphide anion | 1.915 |
Highest value | SiP+ | Silicon monophosphide cation | 2.196 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiP- | Silicon monophosphide anion | 1.915 | 1 | 2 |
SiP | Silicon monophosphide | 2.016 | 1 | 2 |
SiP+ | Silicon monophosphide cation | 2.196 | 1 | 2 |