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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

B97D3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0736 -0.9077 0.0000   -1.4056 0.0266 0.0000
C2 0.0000 0.1586 0.0000   0.1001 -0.1230 0.0000
O3 0.1789 1.3621 0.0000   0.7209 -1.1694 0.0000
H4 2.0595 -0.4338 0.0000   -1.8713 -0.9632 0.0000
H5 0.9659 -1.5504 0.8850   -1.7277 0.5931 0.8850
H6 0.9659 -1.5504 -0.8850   -1.7277 0.5931 -0.8850
O7 -1.2491 -0.4027 0.0000   0.7148 1.1007 0.0000
H8 -1.8709 0.3548 0.0000   1.6751 0.9055 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5131 2.4398 1.0939 1.0990 1.0990 2.3769 3.2037
C2 1.5131 1.2167 2.1430 2.1533 2.1533 1.3694 1.8811
O3 2.4398 1.2167 2.6004 3.1441 3.1441 2.2701 2.2839
H4 1.0939 2.1430 2.6004 1.7961 1.7961 3.3087 4.0087
H5 1.0990 2.1533 3.1441 1.7961 1.7700 2.6470 3.5299
H6 1.0990 2.1533 3.1441 1.7961 1.7700 2.6470 3.5299
O7 2.3769 1.3694 2.2701 3.3087 2.6470 2.6470 0.9800
H8 3.2037 1.8811 2.2839 4.0087 3.5299 3.5299 0.9800
Maximum atom distance is 4.0087Å 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 126.352 C1 C2 O7 110.998
O3 C2 O7 122.650
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.521 C2 C1 H5 110.033
C2 C1 H6 110.033 C2 O7 H8 105.182
H4 C1 H5 109.979 H4 C1 H6 109.979
H5 C1 H6 107.271

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