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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

QCISD/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9393 0.0000   0.6764 -0.6518 0.0000
C2 0.9285 -0.2596 0.0000   0.4574 0.8487 0.0000
O3 -1.3471 0.5533 0.0000   -0.5362 -1.3539 0.0000
O4 0.5044 -1.3929 0.0000   -0.6530 1.3298 0.0000
H5 -1.3295 -0.4097 0.0000   -1.2176 -0.6731 0.0000
H6 0.2421 1.5462 0.8865   1.2814 -0.8985 0.8865
H7 0.2421 1.5462 -0.8865   1.2814 -0.8985 -0.8865
H8 2.0151 -0.0442 0.0000   1.3664 1.4818 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 H5 H6 H7 H8
C1 1.5164 1.4013 2.3862 1.8941 1.1013 1.1013 2.2423
C2 1.5164 2.4164 1.2101 2.2630 2.1255 2.1255 1.1077
O3 1.4013 2.4164 2.6862 0.9632 2.0730 2.0730 3.4149
O4 2.3862 1.2101 2.6862 2.0809 3.0811 3.0811 2.0251
H5 1.8941 2.2630 0.9632 2.0809 2.6611 2.6611 3.3646
H6 1.1013 2.1255 2.0730 3.0811 2.6611 1.7730 2.5414
H7 1.1013 2.1255 2.0730 3.0811 2.6611 1.7730 2.5414
H8 2.2423 1.1077 3.4149 2.0251 3.3646 2.5414 2.5414
Maximum atom distance is 3.4149Å between atoms O3 and H8.
picture of hydroxy acetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 121.728 C2 C1 O3 111.767
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 116.548 C1 O3 H5 104.948
C2 C1 H6 107.521 C2 C1 H7 107.521
O3 C1 H6 111.292 O3 C1 H7 111.292
O4 C2 H8 121.724 H6 C1 H7 107.220

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