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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for FOO+ (Fluorine dioxide cation)
1A' CS
1910171554
InChI=1S/FO2/c1-3-2/q+1 INChIKey=
CCD/6-31G(2df,p)
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| O1 |
1.0652 |
0.1107 |
0.0000 |
|
1.0331 |
-0.2823 |
0.0000 |
| O2 |
0.0000 |
0.4987 |
0.0000 |
|
0.1804 |
0.4649 |
0.0000 |
| F3 |
-0.9468 |
-0.5416 |
0.0000 |
|
-1.0787 |
-0.1623 |
0.0000 |
Atom - Atom Distances (Å)
| |
O1 |
O2 |
F3 |
| O1 |
|
1.1337 |
2.1151 |
| O2 |
1.1337 |
|
1.4067 |
| F3 |
2.1151 |
1.4067 |
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Maximum atom distance is 2.1151Å
between atoms O1 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O1 |
O2 |
F3 |
112.295 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.