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Geometry for (Acetone) 1A1 C2V

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

MP3/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1816   0.1816 0.0000 0.0000
O2 0.0000 0.0000 1.3968   1.3968 0.0000 0.0000
C3 0.0000 1.2893 -0.6134   -0.6134 -0.0000 1.2893
C4 0.0000 -1.2893 -0.6134   -0.6134 -0.0000 -1.2893
H5 0.0000 2.1380 0.0713   0.0713 0.0000 2.1380
H6 0.0000 -2.1380 0.0713   0.0713 0.0000 -2.1380
H7 0.8821 1.3358 -1.2614   -1.2614 0.8821 1.3358
H8 -0.8821 1.3358 -1.2614   -1.2614 -0.8821 1.3358
H9 -0.8821 -1.3358 -1.2614   -1.2614 -0.8821 -1.3358
H10 0.8821 -1.3358 -1.2614   -1.2614 0.8821 -1.3358
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.2152 1.5147 1.5147 2.1409 2.1409 2.1552 2.1552 2.1552 2.1552
O2 1.2152 2.3882 2.3882 2.5155 2.5155 3.1030 3.1030 3.1030 3.1030
C3 1.5147 2.3882 2.5786 1.0905 3.4951 1.0955 1.0955 2.8442 2.8442
C4 1.5147 2.3882 2.5786 3.4951 1.0905 2.8442 2.8442 1.0955 1.0955
H5 2.1409 2.5155 1.0905 3.4951 4.2760 1.7882 1.7882 3.8239 3.8239
H6 2.1409 2.5155 3.4951 1.0905 4.2760 3.8239 3.8239 1.7882 1.7882
H7 2.1552 3.1030 1.0955 2.8442 1.7882 3.8239 1.7642 3.2016 2.6717
H8 2.1552 3.1030 1.0955 2.8442 1.7882 3.8239 1.7642 2.6717 3.2016
H9 2.1552 3.1030 2.8442 1.0955 3.8239 1.7882 3.2016 2.6717 1.7642
H10 2.1552 3.1030 2.8442 1.0955 3.8239 1.7882 2.6717 3.2016 1.7642
Maximum atom distance is 4.2760Å 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 121.658 O2 C1 C4 121.658
C3 C1 C4 116.683
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.444 C1 C3 H7 110.279
C1 C3 H8 110.279 C1 C4 H6 109.444
C1 C4 H9 110.279 C1 C4 H10 110.279
H5 C3 H7 109.776 H5 C3 H8 109.776
H6 C4 H9 109.776 H6 C4 H10 109.776
H7 C3 H8 107.260 H9 C4 H10 107.260

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