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Geometry for CH3CHO (Acetaldehyde) 1A' CS

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

CCD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4702 0.0000   -0.2282 -0.4111 0.0000
C2 -0.9626 -0.7148 0.0000   1.1885 0.1578 0.0000
O3 1.2348 0.3756 0.0000   -1.2619 0.2709 0.0000
H4 -0.4989 1.4572 0.0000   -0.2709 -1.5162 0.0000
H5 -0.3887 -1.6480 0.0000   1.1396 1.2523 0.0000
H6 -1.6076 -0.6732 0.8898   1.7323 -0.1916 0.8898
H7 -1.6076 -0.6732 -0.8898   1.7323 -0.1916 -0.8898
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.5267 1.2384 1.1059 2.1535 2.1641 2.1641
C2 1.5267 2.4531 2.2209 1.0956 1.0998 1.0998
O3 1.2384 2.4531 2.0434 2.5943 3.1577 3.1577
H4 1.1059 2.2209 2.0434 3.1071 2.5611 2.5611
H5 2.1535 1.0956 2.5943 3.1071 1.7966 1.7966
H6 2.1641 1.0998 3.1577 2.5611 1.7966 1.7797
H7 2.1641 1.0998 3.1577 2.5611 1.7966 1.7797
Maximum atom distance is 3.1577Å 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 124.709
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 109.317 C1 C2 H6 109.903
C1 C2 H7 109.903 C2 C1 H4 114.094
O3 C1 H4 121.197 H5 C2 H6 109.844
H5 C2 H7 109.844 H6 C2 H7 108.015

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