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Geometry for CH3COF (Acetyl fluoride) 1A' NULL

1910171554
InChI=1S/C2H3FO/c1-2(3)4/h1H3 INChIKey=JUCMRTZQCZRJDC-UHFFFAOYSA-N

B3LYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1873 0.0000   0.1144 -0.1483 0.0000
C2 1.1325 -0.7855 0.0000   -1.3765 -0.0701 0.0000
O3 0.0136 1.3963 0.0000   0.8424 -1.1137 0.0000
F4 -1.2358 -0.4965 0.0000   0.6749 1.1481 0.0000
H5 2.0815 -0.2501 0.0000   -1.8006 -1.0737 0.0000
H6 1.0684 -1.4314 0.8817   -1.7203 0.4804 0.8817
H7 1.0684 -1.4314 -0.8817   -1.7203 0.4804 -0.8817
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4929 1.2091 1.4123 2.1269 2.1305 2.1305
C2 1.4929 2.4520 2.3858 1.0896 1.0948 1.0948
O3 1.2091 2.4520 2.2680 2.6433 3.1442 3.1442
F4 1.4123 2.3858 2.2680 3.3264 2.6383 2.6383
H5 2.1269 1.0896 2.6433 3.3264 1.7886 1.7886
H6 2.1305 1.0948 3.1442 2.6383 1.7886 1.7634
H7 2.1305 1.0948 3.1442 2.6383 1.7886 1.7634
Maximum atom distance is 3.3264Å between atoms F4 and H5.
picture of Acetyl fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 130.018 C2 C1 F4 110.381
O3 C1 F4 119.601
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.908 C1 C2 H6 109.877
C1 C2 H7 109.877 H5 C2 H6 109.930
H5 C2 H7 109.930 H6 C2 H7 107.281

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