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Geometry for CH3CHO (Acetaldehyde) 1A' CS

1910171554
InChI=1S/C2H4O/c1-2-3/h2H,1H3 INChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N

MP2/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4636 0.0000   -0.2181 -0.4092 0.0000
C2 -0.9405 -0.7122 0.0000   1.1650 0.1861 0.0000
O3 1.2104 0.3762 0.0000   -1.2451 0.2374 0.0000
H4 -0.4869 1.4618 0.0000   -0.2579 -1.5190 0.0000
H5 -0.3747 -1.6434 0.0000   1.1036 1.2740 0.0000
H6 -1.5893 -0.6683 0.8802   1.7168 -0.1579 0.8802
H7 -1.5893 -0.6683 -0.8802   1.7168 -0.1579 -0.8802
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.5057 1.2136 1.1105 2.1401 2.1405 2.1405
C2 1.5057 2.4106 2.2208 1.0896 1.0943 1.0943
O3 1.2136 2.4106 2.0148 2.5673 3.1151 3.1151
H4 1.1105 2.2208 2.0148 3.1072 2.5548 2.5548
H5 2.1401 1.0896 2.5673 3.1072 1.7891 1.7891
H6 2.1405 1.0943 3.1151 2.5548 1.7891 1.7603
H7 2.1405 1.0943 3.1151 2.5548 1.7891 1.7603
Maximum atom distance is 3.1151Å between atoms O3 and H6.
picture of Acetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 124.521
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.059 C1 C2 H6 109.814
C1 C2 H7 109.814 C2 C1 H4 115.343
O3 C1 H4 120.136 H5 C2 H6 110.011
H5 C2 H7 110.011 H6 C2 H7 107.083

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