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Geometry for CH3COCH3 (Acetone) 1A1 C2V

1910171554
InChI=1S/C3H6O/c1-3(2)4/h1-2H3 INChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N

CCD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1872   0.1872 -0.0002 0.0000
O2 0.0000 0.0000 1.4022   1.4022 -0.0013 0.0000
C3 0.0000 1.2892 -0.6172   -0.6172 0.0006 1.2892
C4 0.0000 -1.2892 -0.6172   -0.6172 0.0006 -1.2892
H5 0.0000 2.1425 0.0657   0.0657 -0.0001 2.1425
H6 0.0000 -2.1425 0.0657   0.0657 -0.0001 -2.1425
H7 0.8839 1.3352 -1.2664   -1.2656 0.8850 1.3352
H8 -0.8839 1.3352 -1.2664   -1.2673 -0.8827 1.3352
H9 -0.8839 -1.3352 -1.2664   -1.2673 -0.8827 -1.3352
H10 0.8839 -1.3352 -1.2664   -1.2656 0.8850 -1.3352
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.2150 1.5195 1.5195 2.1460 2.1460 2.1626 2.1626 2.1626 2.1626
O2 1.2150 2.3958 2.3958 2.5252 2.5252 3.1121 3.1121 3.1121 3.1121
C3 1.5195 2.3958 2.5784 1.0929 3.4990 1.0977 1.0977 2.8443 2.8443
C4 1.5195 2.3958 2.5784 3.4990 1.0929 2.8443 2.8443 1.0977 1.0977
H5 2.1460 2.5252 1.0929 3.4990 4.2851 1.7910 1.7910 3.8275 3.8275
H6 2.1460 2.5252 3.4990 1.0929 4.2851 3.8275 3.8275 1.7910 1.7910
H7 2.1626 3.1121 1.0977 2.8443 1.7910 3.8275 1.7677 3.2024 2.6703
H8 2.1626 3.1121 1.0977 2.8443 1.7910 3.8275 1.7677 2.6703 3.2024
H9 2.1626 3.1121 2.8443 1.0977 3.8275 1.7910 3.2024 2.6703 1.7677
H10 2.1626 3.1121 2.8443 1.0977 3.8275 1.7910 2.6703 3.2024 1.7677
Maximum atom distance is 4.2851Å between atoms H5 and H6.
picture of Acetone
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 C3 121.961 O2 C1 C4 121.961
C3 C1 C4 116.078
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.373 C1 C3 H7 110.403
C1 C3 H8 110.403 C1 C4 H6 109.373
C1 C4 H9 110.403 C1 C4 H10 110.403
H5 C3 H7 109.686 H5 C3 H8 109.686
H6 C4 H9 109.686 H6 C4 H10 109.686
H7 C3 H8 107.262 H9 C4 H10 107.262

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