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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 HF (Hydrogen fluoride)
1Σ C*V
1910171554
InChI=1S/FH/h1H INChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-N
G2
This model chemistry uses a geometry from
MP2=FULL/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
F1 |
0.0000 |
0.0000 |
0.0934 |
H2 |
0.0000 |
0.0000 |
-0.8405 |
Atom - Atom Distances (Å)
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F1 |
H2 |
F1 |
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0.9339 |
H2 |
0.9339 |
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Maximum atom distance is 0.9339Å
between atoms F1 and H2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.