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Geometry for CH3COCH3 (Acetone) 1A1 C2V

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

M06-2X/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 0.1857   0.1857 -0.0000 0.0000
O2 0.0000 0.0000 1.3950   1.3950 -0.0000 0.0000
C3 0.0000 1.2874 -0.6131   -0.6131 0.0000 1.2874
C4 0.0000 -1.2874 -0.6131   -0.6131 0.0000 -1.2874
H5 -0.0004 2.1397 0.0654   0.0654 -0.0004 2.1397
H6 0.0004 -2.1397 0.0654   0.0654 0.0004 -2.1397
H7 0.8806 1.3288 -1.2616   -1.2616 0.8806 1.3288
H8 -0.8799 1.3285 -1.2625   -1.2625 -0.8799 1.3285
H9 -0.8806 -1.3288 -1.2616   -1.2616 -0.8806 -1.3288
H10 0.8799 -1.3285 -1.2625   -1.2625 0.8799 -1.3285
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.2093 1.5151 1.5151 2.1431 2.1431 2.1531 2.1532 2.1531 2.1532
O2 1.2093 2.3853 2.3853 2.5191 2.5191 3.0982 3.0986 3.0982 3.0986
C3 1.5151 2.3853 2.5749 1.0893 3.4936 1.0944 1.0944 2.8356 2.8353
C4 1.5151 2.3853 2.5749 3.4936 1.0893 2.8356 2.8353 1.0944 1.0944
H5 2.1431 2.5191 1.0893 3.4936 4.2793 1.7874 1.7875 3.8165 3.8166
H6 2.1431 2.5191 3.4936 1.0893 4.2793 3.8165 3.8166 1.7874 1.7875
H7 2.1531 3.0982 1.0944 2.8356 1.7874 3.8165 1.7605 3.1882 2.6572
H8 2.1532 3.0986 1.0944 2.8353 1.7875 3.8166 1.7605 2.6572 3.1869
H9 2.1531 3.0982 2.8356 1.0944 3.8165 1.7874 3.1882 2.6572 1.7605
H10 2.1532 3.0986 2.8353 1.0944 3.8166 1.7875 2.6572 3.1869 1.7605
Maximum atom distance is 4.2793Å 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 121.816 O2 C1 C4 121.816
C3 C1 C4 116.369
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.661 C1 C3 H7 110.151
C1 C3 H8 110.164 C1 C4 H6 109.661
C1 C4 H9 110.151 C1 C4 H10 110.164
H5 C3 H7 109.868 H5 C3 H8 109.875
H6 C4 H9 109.868 H6 C4 H10 109.875
H7 C3 H8 107.087 H9 C4 H10 107.087

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