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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
B3LYP/CEP-121G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| O1 |
0.0538 |
0.7128 |
0.0000 |
|
0.7146 |
0.0180 |
0.0000 |
| H2 |
-0.9154 |
0.8540 |
0.0000 |
|
0.8070 |
-0.9571 |
0.0000 |
| F3 |
0.0538 |
-0.7285 |
0.0000 |
|
-0.7249 |
0.0903 |
0.0000 |
Atom - Atom Distances (Å)
| |
O1 |
H2 |
F3 |
| O1 |
|
0.9795 |
1.4413 |
| H2 |
0.9795 |
| 1.8557 |
| F3 |
1.4413 |
1.8557 |
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Maximum atom distance is 1.8557Å
between atoms H2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
H2 |
O1 |
F3 |
98.287 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.