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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/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 0.1903 0.0000   -0.1057 0.1583 0.0000
C2 1.0841 -0.8422 0.0000   1.3693 -0.0985 0.0000
O3 0.0807 1.3755 0.0000   -0.6966 1.1888 0.0000
F4 -1.2409 -0.4191 0.0000   -0.7994 -1.0376 0.0000
H5 2.0586 -0.3552 0.0000   1.9093 0.8475 0.0000
H6 0.9796 -1.4826 0.8810   1.6379 -0.6891 0.8810
H7 0.9796 -1.4826 -0.8810   1.6379 -0.6891 -0.8810
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4972 1.1879 1.3825 2.1296 2.1294 2.1294
C2 1.4972 2.4341 2.3633 1.0893 1.0941 1.0941
O3 1.1879 2.4341 2.2288 2.6282 3.1229 3.1229
F4 1.3825 2.3633 2.2288 3.3001 2.6149 2.6149
H5 2.1296 1.0893 2.6282 3.3001 1.7919 1.7919
H6 2.1294 1.0941 3.1229 2.6149 1.7919 1.7619
H7 2.1294 1.0941 3.1229 2.6149 1.7919 1.7619
Maximum atom distance is 3.3001Å 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 129.706 C2 C1 F4 110.240
O3 C1 F4 120.054
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.844 C1 C2 H6 109.541
C1 C2 H7 109.541 H5 C2 H6 110.309
H5 C2 H7 110.309 H6 C2 H7 107.255

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