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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/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1900   0.0000 0.1900 0.0000
O2 0.0000 0.0000 1.3765   0.0000 1.3765 0.0000
C3 0.0000 1.2871 -0.6068   1.2871 -0.6068 -0.0000
C4 0.0000 -1.2871 -0.6068   -1.2871 -0.6068 0.0000
H5 -0.0008 2.1339 0.0642   2.1339 0.0642 -0.0009
H6 0.0008 -2.1339 0.0642   -2.1339 0.0642 0.0009
H7 0.8741 1.3357 -1.2490   1.3357 -1.2490 0.8740
H8 -0.8731 1.3350 -1.2504   1.3350 -1.2504 -0.8731
H9 -0.8741 -1.3357 -1.2490   -1.3357 -1.2490 -0.8740
H10 0.8731 -1.3350 -1.2504   -1.3350 -1.2504 0.8731
Atom - Atom Distances (Å)
  C1 O2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.1865 1.5137 1.5137 2.1376 2.1376 2.1491 2.1492 2.1491 2.1492
O2 1.1865 2.3643 2.3643 2.5051 2.5051 3.0727 3.0733 3.0727 3.0733
C3 1.5137 2.3643 2.5742 1.0804 3.4861 1.0857 1.0857 2.8382 2.8375
C4 1.5137 2.3643 2.5742 3.4861 1.0804 2.8382 2.8375 1.0857 1.0857
H5 2.1376 2.5051 1.0804 3.4861 4.2677 1.7683 1.7684 3.8111 3.8111
H6 2.1376 2.5051 3.4861 1.0804 4.2677 3.8111 3.8111 1.7683 1.7684
H7 2.1491 3.0727 1.0857 2.8382 1.7683 3.8111 1.7471 3.1925 2.6706
H8 2.1492 3.0733 1.0857 2.8375 1.7684 3.8111 1.7471 2.6706 3.1902
H9 2.1491 3.0727 2.8382 1.0857 3.8111 1.7683 3.1925 2.6706 1.7471
H10 2.1492 3.0733 2.8375 1.0857 3.8111 1.7684 2.6706 3.1902 1.7471
Maximum atom distance is 4.2677Å 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 121.759 O2 C1 C4 121.759
C3 C1 C4 116.482
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 109.850 C1 C3 H7 110.451
C1 C3 H8 110.459 C1 C4 H6 109.850
C1 C4 H9 110.451 C1 C4 H10 110.459
H5 C3 H7 109.445 H5 C3 H8 109.449
H6 C4 H9 109.445 H6 C4 H10 109.449
H7 C3 H8 107.138 H9 C4 H10 107.138

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