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Geometry for CHOCH2OH (hydroxy acetaldehyde) 1A' CS H in

1910171554
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 INChIKey=WGCNASOHLSPBMP-UHFFFAOYSA-N

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9247 0.0000   0.6722 -0.6350 0.0000
C2 0.9169 -0.2702 0.0000   0.4332 0.8520 0.0000
O3 -1.3352 0.5640 0.0000   -0.5069 -1.3579 0.0000
O4 0.5155 -1.3830 0.0000   -0.6514 1.3244 0.0000
H5 -1.4054 -0.3763 0.0000   -1.2386 -0.7633 0.0000
H6 0.2359 1.5282 0.8746   1.2729 -0.8779 0.8746
H7 0.2359 1.5282 -0.8746   1.2729 -0.8779 -0.8746
H8 1.9902 -0.0549 0.0000   1.3267 1.4845 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 H5 H6 H7 H8
C1 1.5061 1.3831 2.3646 1.9151 1.0884 1.0884 2.2182
C2 1.5061 2.4016 1.1830 2.3247 2.1125 2.1125 1.0947
O3 1.3831 2.4016 2.6862 0.9428 2.0403 2.0403 3.3825
O4 2.3646 1.1830 2.6862 2.1687 3.0525 3.0525 1.9846
H5 1.9151 2.3247 0.9428 2.1687 2.6618 2.6618 3.4107
H6 1.0884 2.1125 2.0403 3.0525 2.6618 1.7491 2.5196
H7 1.0884 2.1125 2.0403 3.0525 2.6618 1.7491 2.5196
H8 2.2182 1.0947 3.3825 1.9846 3.4107 2.5196 2.5196
Maximum atom distance is 3.4107Å between atoms H5 and H8.
picture of hydroxy acetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 122.665 C2 C1 O3 112.381
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 116.161 C1 O3 H5 109.386
C2 C1 H6 107.934 C2 C1 H7 107.934
O3 C1 H6 110.722 O3 C1 H7 110.722
O4 C2 H8 121.174 H6 C1 H7 106.935

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