Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
0.96 | 0.96 | 0.97 | 0.97 | 0.98 | 0.98 | 0.99 | 0.99 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
0.962 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H3AlO3 | Aluminum hydroxide | 0.956 |
Highest value | SOH+ | Sulfur Monoxide, protonated | 0.983 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SOH+ | Sulfur Monoxide, protonated | 0.983 | 2 | 3 |
H2POH | Phosphinous acid | 0.959 | 2 | 3 |
H3AlO3 | Aluminum hydroxide | 0.956 | 2 | 5 |
0.956 | 3 | 6 | ||
0.956 | 4 | 7 |