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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/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1878 0.0000   0.1029 -0.1571 0.0000
C2 1.0646 -0.8593 0.0000   -1.3614 0.1359 0.0000
O3 0.1026 1.3649 0.0000   0.6618 -1.1981 0.0000
F4 -1.2390 -0.3900 0.0000   0.8230 1.0049 0.0000
H5 2.0432 -0.3907 0.0000   -1.9235 -0.7922 0.0000
H6 0.9499 -1.4947 0.8781   -1.6134 0.7303 0.8781
H7 0.9499 -1.4947 -0.8781   -1.6134 0.7303 -0.8781
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4933 1.1815 1.3671 2.1235 2.1223 2.1223
C2 1.4933 2.4234 2.3509 1.0851 1.0899 1.0899
O3 1.1815 2.4234 2.2089 2.6169 3.1091 3.1091
F4 1.3671 2.3509 2.2089 3.2822 2.6044 2.6044
H5 2.1235 1.0851 2.6169 3.2822 1.7848 1.7848
H6 2.1223 1.0899 3.1091 2.6044 1.7848 1.7562
H7 2.1223 1.0899 3.1091 2.6044 1.7848 1.7562
Maximum atom distance is 3.2822Å 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 129.547 C2 C1 F4 110.471
O3 C1 F4 119.982
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.883 C1 C2 H6 109.498
C1 C2 H7 109.498 H5 C2 H6 110.286
H5 C2 H7 110.286 H6 C2 H7 107.349

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