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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 FHF (Hydrogen difluoride)
2Π D*H
1910171554
InChI=1S/2FH/h2*1H INChIKey=CUPFNGOKRMWUOO-UHFFFAOYSA-N
BLYP/6-31G*
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
H1 |
0.0000 |
0.0000 |
0.0000 |
F2 |
0.0000 |
0.0000 |
1.1411 |
F3 |
0.0000 |
0.0000 |
-1.1411 |
Atom - Atom Distances (Å)
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H1 |
F2 |
F3 |
H1 |
|
1.1411 |
1.1411 |
F2 |
1.1411 |
| 2.2823 |
F3 |
1.1411 |
2.2823 |
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Maximum atom distance is 2.2823Å
between atoms F2 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 |
F2 |
H1 |
F3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.