Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/STO-3G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.510 | 0.160 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F2+ | flourine diatomic cation | 1.312 |
Highest value | F2- | flourine diatomic anion | 1.742 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
F2- | flourine diatomic anion | 1.742 | 1 | 2 |
F2 | Fluorine diatomic | 1.349 | 1 | 2 |
F2+ | flourine diatomic cation | 1.312 | 1 | 2 |
F3- | trifluoride anion | 1.574 | 1 | 2 |
1.574 | 1 | 3 |