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Geometry for CH3COF (Acetyl fluoride) 1A' NULL

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

wB97X-D/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1841 0.0000   -0.1117 0.1463 0.0000
C2 1.0490 -0.8811 0.0000   1.3685 -0.0639 0.0000
O3 0.1275 1.3642 0.0000   -0.7263 1.1618 0.0000
F4 -1.2445 -0.3645 0.0000   -0.7681 -1.0449 0.0000
H5 2.0360 -0.4220 0.0000   1.8745 0.8998 0.0000
H6 0.9251 -1.5144 0.8819   1.6542 -0.6425 0.8819
H7 0.9251 -1.5144 -0.8819   1.6542 -0.6425 -0.8819
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4950 1.1870 1.3601 2.1243 2.1257 2.1257
C2 1.4950 2.4270 2.3510 1.0885 1.0928 1.0928
O3 1.1870 2.4270 2.2071 2.6140 3.1146 3.1146
F4 1.3601 2.3510 2.2071 3.2810 2.6091 2.6091
H5 2.1243 1.0885 2.6140 3.2810 1.7903 1.7903
H6 2.1257 1.0928 3.1146 2.6091 1.7903 1.7639
H7 2.1257 1.0928 3.1146 2.6091 1.7903 1.7639
Maximum atom distance is 3.2810Å 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 129.270 C2 C1 F4 110.772
O3 C1 F4 119.958
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.618 C1 C2 H6 109.473
C1 C2 H7 109.473 H5 C2 H6 110.318
H5 C2 H7 110.318 H6 C2 H7 107.610

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