Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
0.80 | 1.00 | 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.192 | 0.540 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H3AlO3 | Aluminum hydroxide | 0.943 |
Highest value | HClO3 | Chloric Acid | 2.399 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SOH+ | Sulfur Monoxide, protonated | 0.973 | 2 | 3 |
H2POH | Phosphinous acid | 0.951 | 2 | 3 |
HClO3 | Chloric Acid | 2.399 | 2 | 5 |
H3AlO3 | Aluminum hydroxide | 0.943 | 2 | 5 |
0.943 | 3 | 6 | ||
0.943 | 4 | 7 |