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/TZVP
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.196 | 0.786 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F2+ | flourine diatomic cation | 1.355 |
Highest value | F3- | trifluoride anion | 3.127 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
F2- | flourine diatomic anion | 1.939 | 1 | 2 |
F2 | Fluorine diatomic | 1.434 | 1 | 2 |
F2+ | flourine diatomic cation | 1.355 | 1 | 2 |
F3- | trifluoride anion | 3.127 | 1 | 2 |
3.127 | 1 | 3 |