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Geometry for CH3COCH3 (Acetone) 1A1 C2V

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

HF/CEP-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 0.1907   0.0000 0.1907 0.0000
O2 0.0000 0.0000 1.3955   0.0000 1.3955 0.0000
C3 0.0000 1.2990 -0.6153   1.2990 -0.6153 -0.0000
C4 0.0000 -1.2990 -0.6153   -1.2990 -0.6153 0.0000
H5 -0.0006 2.1526 0.0576   2.1526 0.0576 -0.0006
H6 0.0006 -2.1526 0.0576   -2.1526 0.0576 0.0006
H7 0.8806 1.3371 -1.2595   1.3371 -1.2595 0.8806
H8 -0.8799 1.3366 -1.2605   1.3366 -1.2605 -0.8799
H9 -0.8806 -1.3371 -1.2595   -1.3371 -1.2595 -0.8806
H10 0.8799 -1.3366 -1.2605   -1.3366 -1.2605 0.8799
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.2048 1.5287 1.5287 2.1567 2.1567 2.1602 2.1603 2.1602 2.1603
O2 1.2048 2.3939 2.3939 2.5345 2.5345 3.1004 3.1008 3.1004 3.1008
C3 1.5287 2.3939 2.5980 1.0869 3.5166 1.0918 1.0918 2.8530 2.8525
C4 1.5287 2.3939 2.5980 3.5166 1.0869 2.8530 2.8525 1.0918 1.0918
H5 2.1567 2.5345 1.0869 3.5166 4.3052 1.7822 1.7823 3.8324 3.8324
H6 2.1567 2.5345 3.5166 1.0869 4.3052 3.8324 3.8324 1.7822 1.7823
H7 2.1602 3.1004 1.0918 2.8530 1.7822 3.8324 1.7606 3.2021 2.6737
H8 2.1603 3.1008 1.0918 2.8525 1.7823 3.8324 1.7606 2.6737 3.2005
H9 2.1602 3.1004 2.8530 1.0918 3.8324 1.7822 3.2021 2.6737 1.7606
H10 2.1603 3.1008 2.8525 1.0918 3.8324 1.7823 2.6737 3.2005 1.7606
Maximum atom distance is 4.3052Å 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 121.819 O2 C1 C4 121.819
C3 C1 C4 116.363
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.933 C1 C3 H7 109.922
C1 C3 H8 109.929 C1 C4 H6 109.933
C1 C4 H9 109.922 C1 C4 H10 109.929
H5 C3 H7 109.775 H5 C3 H8 109.778
H6 C4 H9 109.775 H6 C4 H10 109.778
H7 C3 H8 107.468 H9 C4 H10 107.468

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