Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pCVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.27 | 1.28 | 1.29 | 1.30 | 1.31 | 1.32 | 1.33 | 1.34 | 1.35 | 1.36 | 1.37 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.320 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CF | Fluoromethylidyne | 1.272 |
Highest value | CH2F2 | Methane, difluoro- | 1.354 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CF | Fluoromethylidyne | 1.272 | 1 | 2 |
CF2 | Difluoromethylene | 1.298 | 1 | 2 |
1.298 | 1 | 3 | ||
HCCF | Fluoroacetylene | 1.279 | 1 | 3 |
CH2F2 | Methane, difluoro- | 1.354 | 1 | 4 |
1.354 | 1 | 5 | ||
CF2O | Carbonic difluoride | 1.314 | 2 | 3 |
1.314 | 2 | 4 | ||
CHF3 | Methane, trifluoro- | 1.333 | 1 | 3 |
1.333 | 1 | 4 | ||
1.333 | 1 | 5 | ||
CF2Cl2 | difluorodichloromethane | 1.330 | 1 | 2 |
1.330 | 1 | 3 | ||
CF3Cl | Methane, chlorotrifluoro- | 1.324 | 1 | 3 |
1.324 | 1 | 4 | ||
1.324 | 1 | 5 |