Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBEultrafine/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.606 | 0.214 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO2F | Chloryl fluoride | 1.447 |
Highest value | HClO3 | Chloric Acid | 2.175 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.584 | 1 | 2 |
OClO | Chlorine dioxide | 1.498 | 1 | 2 |
1.498 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.505 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.680 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.447 | 1 | 3 |
1.447 | 1 | 4 | ||
HClO3 | Chloric Acid | 1.756 | 1 | 2 |
2.175 | 1 | 3 | ||
1.468 | 1 | 4 |