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Geometry for CH3COF (Acetyl fluoride) 1A' NULL

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

B97D3/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1905 0.0000   0.1040 -0.1596 0.0000
C2 1.0727 -0.8549 0.0000   -1.3654 0.1310 0.0000
O3 0.0978 1.3744 0.0000   0.6681 -1.2050 0.0000
F4 -1.2437 -0.4045 0.0000   0.8215 1.0177 0.0000
H5 2.0530 -0.3797 0.0000   -1.9276 -0.8022 0.0000
H6 0.9611 -1.4944 0.8808   -1.6209 0.7277 0.8808
H7 0.9611 -1.4944 -0.8808   -1.6209 0.7277 -0.8808
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4979 1.1879 1.3787 2.1307 2.1304 2.1304
C2 1.4979 2.4332 2.3598 1.0894 1.0942 1.0942
O3 1.1879 2.4332 2.2280 2.6268 3.1227 3.1227
F4 1.3787 2.3598 2.2280 3.2968 2.6125 2.6125
H5 2.1307 1.0894 2.6268 3.2968 1.7918 1.7918
H6 2.1304 1.0942 3.1227 2.6125 1.7918 1.7617
H7 2.1304 1.0942 3.1227 2.6125 1.7918 1.7617
Maximum atom distance is 3.2968Å 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 129.056 C2 C1 F4 110.476
O3 C1 F4 120.468
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.898 C1 C2 H6 109.602
C1 C2 H7 109.602 H5 C2 H6 110.229
H5 C2 H7 110.229 H6 C2 H7 107.238

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