Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.33 | 1.33 | 1.34 | 1.34 | 1.35 | 1.35 | 1.36 | 1.36 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.344 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CF2Cl2 | difluorodichloromethane | 1.331 |
Highest value | CH2F2 | Methane, difluoro- | 1.357 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH2F2 | Methane, difluoro- | 1.357 | 1 | 4 |
1.357 | 1 | 5 | ||
CF2Cl2 | difluorodichloromethane | 1.331 | 1 | 2 |
1.331 | 1 | 3 |