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Geometry for CH3COF (Acetyl fluoride) 1A' NULL

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

LSDA/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1883 0.0000   0.1233 -0.1423 0.0000
C2 1.0816 -0.8249 0.0000   -1.3577 -0.0846 0.0000
O3 0.0615 1.3923 0.0000   0.8651 -1.0927 0.0000
F4 -1.2234 -0.4482 0.0000   0.6313 1.1397 0.0000
H5 2.0632 -0.3341 0.0000   -1.7783 -1.0983 0.0000
H6 0.9825 -1.4756 0.8864   -1.7088 0.4721 0.8864
H7 0.9825 -1.4756 -0.8864   -1.7088 0.4721 -0.8864
Atom - Atom Distances (Å)
  C1 C2 O3 F4 H5 H6 H7
C1 1.4821 1.2056 1.3790 2.1283 2.1259 2.1259
C2 1.4821 2.4407 2.3356 1.0975 1.1040 1.1040
O3 1.2056 2.4407 2.2446 2.6434 3.1399 3.1399
F4 1.3790 2.3356 2.2446 3.2886 2.5898 2.5898
H5 2.1283 1.0975 2.6434 3.2886 1.8046 1.8046
H6 2.1259 1.1040 3.1399 2.5898 1.8046 1.7728
H7 2.1259 1.1040 3.1399 2.5898 1.8046 1.7728
Maximum atom distance is 3.2886Å 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 130.204 C2 C1 F4 109.384
O3 C1 F4 120.412
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.304 C1 C2 H6 109.718
C1 C2 H7 109.718 H5 C2 H6 110.114
H5 C2 H7 110.114 H6 C2 H7 106.808

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