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 |
CID/aug-cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.40 | 1.40 | 1.40 | 1.41 | 1.41 | 1.41 | 1.41 | 1.41 | 1.42 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.406 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H3PO | Phosphine oxide | 1.399 |
Highest value | CH2PH | Phosphaethene | 1.414 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PH3 | Phosphine | 1.410 | 1 | 2 |
1.410 | 1 | 3 | ||
1.410 | 1 | 4 | ||
CH2PH | Phosphaethene | 1.414 | 2 | 5 |
H3PO | Phosphine oxide | 1.399 | 1 | 3 |
1.399 | 1 | 4 | ||
1.399 | 1 | 5 |