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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=
wB97X-D/6-31G(2df,p)
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| O1 |
1.0713 |
0.1196 |
0.0000 |
|
1.0418 |
-0.2769 |
0.0000 |
| O2 |
0.0000 |
0.4912 |
0.0000 |
|
0.1781 |
0.4578 |
0.0000 |
| F3 |
-0.9523 |
-0.5430 |
0.0000 |
|
-1.0843 |
-0.1608 |
0.0000 |
Atom - Atom Distances (Å)
| |
O1 |
O2 |
F3 |
| O1 |
|
1.1339 |
2.1293 |
| O2 |
1.1339 |
|
1.4059 |
| F3 |
2.1293 |
1.4059 |
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Maximum atom distance is 2.1293Å
between atoms O1 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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O1 |
O2 |
F3 |
113.506 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.