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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
CCSD/6-311+G(3df,2p)
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0530 |
0.6991 |
0.0000 |
|
0.6957 |
0.0873 |
0.0000 |
H2 |
-0.9003 |
0.8460 |
0.0000 |
|
0.8893 |
-0.8576 |
0.0000 |
F3 |
0.0530 |
-0.7154 |
0.0000 |
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-0.7172 |
0.0177 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
H2 |
F3 |
O1 |
|
0.9645 |
1.4146 |
H2 |
0.9645 |
| 1.8294 |
F3 |
1.4146 |
1.8294 |
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Maximum atom distance is 1.8294Å
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 |
98.760 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.