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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

B3LYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0700 -0.9065 0.0000   -1.4023 -0.0078 0.0000
C2 0.0000 0.1530 0.0000   0.0995 -0.1162 0.0000
O3 0.1818 1.3520 0.0000   0.7416 -1.1450 0.0000
H4 2.0513 -0.4338 0.0000   -1.8400 -1.0053 0.0000
H5 0.9608 -1.5454 0.8817   -1.7351 0.5484 0.8817
H6 0.9608 -1.5454 -0.8817   -1.7351 0.5484 -0.8817
O7 -1.2460 -0.3899 0.0000   0.6925 1.1067 0.0000
H8 -1.8790 0.3483 0.0000   1.6535 0.9581 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5057 2.4269 1.0893 1.0943 1.0943 2.3728 3.2048
C2 1.5057 1.2128 2.1336 2.1412 2.1412 1.3591 1.8891
O3 2.4269 1.2128 2.5854 3.1272 3.1272 2.2523 2.2922
H4 1.0893 2.1336 2.5854 1.7895 1.7895 3.2976 4.0074
H5 1.0943 2.1412 3.1272 1.7895 1.7634 2.6424 3.5253
H6 1.0943 2.1412 3.1272 1.7895 1.7634 2.6424 3.5253
O7 2.3728 1.3591 2.2523 3.2976 2.6424 2.6424 0.9724
H8 3.2048 1.8891 2.2922 4.0074 3.5253 3.5253 0.9724
Maximum atom distance is 4.0074Å 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 126.098 C1 C2 O7 111.740
O3 C2 O7 122.162
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.562 C2 C1 H5 109.871
C2 C1 H6 109.871 C2 O7 H8 107.074
H4 C1 H5 110.074 H4 C1 H6 110.074
H5 C1 H6 107.361

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