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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 (Dioxygen monofluoride radical)
2A" CS
1910171554
InChI=1S/FO2/c1-3-2 INChIKey=GQRAHKRZRKCZPQ-UHFFFAOYSA-N
B97D3/6-311G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
1.1520 |
0.2666 |
0.0000 |
|
1.1353 |
-0.3306 |
0.0000 |
O2 |
0.0000 |
0.5791 |
0.0000 |
|
0.2831 |
0.5052 |
0.0000 |
F3 |
-1.0240 |
-0.7517 |
0.0000 |
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-1.2608 |
-0.1553 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
O2 |
F3 |
O1 |
|
1.1937 |
2.4025 |
O2 |
1.1937 |
| 1.6792 |
F3 |
2.4025 |
1.6792 |
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Maximum atom distance is 2.4025Å
between atoms O1 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O1 |
O2 |
F3 |
112.396 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.