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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

mPW1PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0435 -0.9229 0.0000   -1.3922 0.0479 0.0000
C2 0.0000 0.1559 0.0000   0.0992 -0.1202 0.0000
O3 0.2061 1.3387 0.0000   0.6929 -1.1638 0.0000
H4 2.0328 -0.4717 0.0000   -1.8683 -0.9298 0.0000
H5 0.9198 -1.5587 0.8793   -1.7014 0.6170 0.8793
H6 0.9198 -1.5587 -0.8793   -1.7014 0.6170 -0.8793
O7 -1.2424 -0.3638 0.0000   0.7269 1.0713 0.0000
H8 -1.8429 0.3922 0.0000   1.6711 0.8702 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5009 2.4116 1.0874 1.0921 1.0921 2.3533 3.1718
C2 1.5009 1.2006 2.1275 2.1351 2.1351 1.3467 1.8580
O3 2.4116 1.2006 2.5718 3.1108 3.1108 2.2353 2.2570
H4 1.0874 2.1275 2.5718 1.7871 1.7871 3.2770 3.9708
H5 1.0921 2.1351 3.1108 1.7871 1.7586 2.6222 3.4945
H6 1.0921 2.1351 3.1108 1.7871 1.7586 2.6222 3.4945
O7 2.3533 1.3467 2.2353 3.2770 2.6222 2.6222 0.9654
H8 3.1718 1.8580 2.2570 3.9708 3.4945 3.4945 0.9654
Maximum atom distance is 3.9708Å 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 126.068 C1 C2 O7 111.350
O3 C2 O7 122.583
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.530 C2 C1 H5 109.857
C2 C1 H6 109.857 C2 O7 H8 105.759
H4 C1 H5 110.160 H4 C1 H6 110.160
H5 C1 H6 107.251

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