Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/cc-pCVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.560 | 0.202 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClO2F | Chloryl fluoride | 1.403 |
Highest value | HClO3 | Chloric Acid | 2.100 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.576 | 1 | 2 |
OClO | Chlorine dioxide | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.467 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.669 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.403 | 1 | 3 |
1.403 | 1 | 4 | ||
HClO3 | Chloric Acid | 1.648 | 1 | 2 |
2.100 | 1 | 3 | ||
1.426 | 1 | 4 |