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-pCVDZ
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4 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.780 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF | Chlorine monofluoride | 1.689 |
Highest value | ClO2F | Chloryl fluoride | 1.826 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.689 | 1 | 2 |
FClO | chlorosyl fluoride | 1.825 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.826 | 1 | 2 |