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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 HOF (Hypofluorous acid)
1A' CS
1910171554
InChI=1S/FHO/c1-2/h2H INChIKey=AQYSYJUIMQTRMV-UHFFFAOYSA-N
HSEh1PBE/6-31G(2df,p)
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0531 |
0.6929 |
0.0000 |
|
0.6893 |
0.0877 |
0.0000 |
H2 |
-0.9024 |
0.8435 |
0.0000 |
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0.8876 |
-0.8591 |
0.0000 |
F3 |
0.0531 |
-0.7096 |
0.0000 |
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-0.7114 |
0.0175 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
H2 |
F3 |
O1 |
|
0.9673 |
1.4025 |
H2 |
0.9673 |
| 1.8235 |
F3 |
1.4025 |
1.8235 |
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Maximum atom distance is 1.8235Å
between atoms H2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
H2 |
O1 |
F3 |
98.961 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.