return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for HFCO (formyl fluoride) 1A' CS

1910171554
InChI=1S/CHFO/c2-1-3/h1H INChIKey=NHGVZTMBVDFPHJ-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3976 0.0000   -0.1293 -0.3759 0.0000
O2 1.1549 0.1213 0.0000   -1.1316 0.2611 0.0000
F3 -0.9764 -0.5292 0.0000   1.0954 0.1828 0.0000
H4 -0.4521 1.4076 0.0000   -0.0304 -1.4781 0.0000
Atom - Atom Distances (Å)
  C1 O2 F3 H4
C1 1.1875 1.3462 1.1066
O2 1.1875 2.2284 2.0585
F3 1.3462 2.2284 2.0065
H4 1.1066 2.0585 2.0065
Maximum atom distance is 2.2284Å between atoms O2 and F3.
picture of formyl fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 F3 123.039
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H4 127.568 F3 C1 H4 109.392

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.