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Geometry for CH3COOH (Acetic acid) 1A' CS

1910171554
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) INChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N

QCISD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9862 -0.9874 0.0000   1.3897 -0.1271 0.0000
C2 0.0000 0.1430 0.0000   -0.0915 0.1098 0.0000
O3 0.2996 1.3157 0.0000   -0.6122 1.2025 0.0000
H4 1.9765 -0.5505 0.0000   1.8707 0.8425 0.0000
H5 0.8499 -1.6146 0.8810   1.6866 -0.6962 0.8810
H6 0.8499 -1.6146 -0.8810   1.6866 -0.6962 -0.8810
O7 -1.2755 -0.2773 0.0000   -0.8023 -1.0296 0.0000
H8 -1.7859 0.5387 0.0000   -1.7168 -0.7295 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5001 2.4032 1.0824 1.0900 1.0900 2.3706 3.1644
C2 1.5001 1.2103 2.0946 2.1419 2.1419 1.3430 1.8292
O3 2.4032 1.2103 2.5089 3.1089 3.1089 2.2402 2.2255
H4 1.0824 2.0946 2.5089 1.7826 1.7826 3.2635 3.9169
H5 1.0900 2.1419 3.1089 1.7826 1.7621 2.6612 3.5157
H6 1.0900 2.1419 3.1089 1.7826 1.7621 2.6612 3.5157
O7 2.3706 1.3430 2.2402 3.2635 2.6612 2.6612 0.9624
H8 3.1644 1.8292 2.2255 3.9169 3.5157 3.5157 0.9624
Maximum atom distance is 3.9169Å between atoms H4 and H8.
picture of Acetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 124.567 C1 C2 O7 112.867
O3 C2 O7 122.566
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 107.295 C2 C1 H5 110.571
C2 C1 H6 110.571 C2 O7 H8 103.791
H4 C1 H5 110.283 H4 C1 H6 110.283
H5 C1 H6 107.857

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