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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
mPW1PW91/6-31+G**
Point group is Cs
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
O1 |
1.1324 |
0.2013 |
0.0000 |
O2 |
0.0000 |
0.5671 |
0.0000 |
F3 |
-1.0066 |
-0.6830 |
0.0000 |
Atom - Atom Distances (Å)
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O1 |
O2 |
F3 |
O1 |
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1.1900 |
2.3146 |
O2 |
1.1900 |
| 1.6050 |
F3 |
2.3146 |
1.6050 |
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Maximum atom distance is 2.3146Å
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 |
110.940 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.