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Geometry for CH3COCH3 (Acetone) 1A1 C2V

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

MP2=FULL/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1791   0.0000 0.1791 0.0000
O2 0.0000 0.0000 1.4057   0.0000 1.4057 0.0000
C3 0.0000 1.2855 -0.6163   1.2855 -0.6163 0.0000
C4 0.0000 -1.2855 -0.6163   -1.2855 -0.6163 -0.0000
H5 -0.0020 2.1351 0.0663   2.1351 0.0663 -0.0020
H6 0.0020 -2.1351 0.0663   -2.1351 0.0663 0.0020
H7 0.8819 1.3328 -1.2629   1.3328 -1.2629 0.8819
H8 -0.8800 1.3311 -1.2656   1.3311 -1.2656 -0.8800
H9 -0.8819 -1.3328 -1.2629   -1.3328 -1.2629 -0.8819
H10 0.8800 -1.3311 -1.2656   -1.3311 -1.2656 0.8800
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.2266 1.5117 1.5117 2.1381 2.1381 2.1526 2.1526 2.1526 2.1526
O2 1.2266 2.3961 2.3961 2.5205 2.5205 3.1106 3.1116 3.1106 3.1116
C3 1.5117 2.3961 2.5710 1.0899 3.4881 1.0946 1.0946 2.8375 2.8359
C4 1.5117 2.3961 2.5710 3.4881 1.0899 2.8375 2.8359 1.0946 1.0946
H5 2.1381 2.5205 1.0899 3.4881 4.2703 1.7866 1.7865 3.8168 3.8166
H6 2.1381 2.5205 3.4881 1.0899 4.2703 3.8168 3.8166 1.7866 1.7865
H7 2.1526 3.1106 1.0946 2.8375 1.7866 3.8168 1.7619 3.1964 2.6639
H8 2.1526 3.1116 1.0946 2.8359 1.7865 3.8166 1.7619 2.6639 3.1914
H9 2.1526 3.1106 2.8375 1.0946 3.8168 1.7866 3.1964 2.6639 1.7619
H10 2.1526 3.1116 2.8359 1.0946 3.8166 1.7865 2.6639 3.1914 1.7619
Maximum atom distance is 4.2703Å 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 121.748 O2 C1 C4 121.748
C3 C1 C4 116.504
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.473 C1 C3 H7 110.342
C1 C3 H8 110.338 C1 C4 H6 109.473
C1 C4 H9 110.342 C1 C4 H10 110.338
H5 C3 H7 109.740 H5 C3 H8 109.729
H6 C4 H9 109.740 H6 C4 H10 109.729
H7 C3 H8 107.189 H9 C4 H10 107.189

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