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
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.572 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CP | Carbon monophosphide | 1.506 |
Highest value | CH2PH | Phosphaethene | 1.662 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CP | Carbon monophosphide | 1.506 | 1 | 2 |
HCP | Phosphaethyne | 1.549 | 1 | 3 |
CH2PH | Phosphaethene | 1.662 | 1 | 2 |