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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/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1338 -0.8279 0.0000   -1.4009 -0.0911 0.0000
C2 0.0000 0.1529 0.0000   0.0980 -0.1174 0.0000
O3 0.0892 1.3826 0.0000   0.8177 -1.1185 0.0000
H4 2.0819 -0.2909 0.0000   -1.7845 -1.1110 0.0000
H5 1.0718 -1.4742 0.8816   -1.7675 0.4446 0.8816
H6 1.0718 -1.4742 -0.8816   -1.7675 0.4446 -0.8816
O7 -1.2236 -0.4921 0.0000   0.6238 1.1620 0.0000
H8 -1.9531 0.1656 0.0000   1.6053 1.1246 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.4992 2.4449 1.0896 1.0948 1.0948 2.3812 3.2428
C2 1.4992 1.2330 2.1286 2.1385 2.1385 1.3832 1.9531
O3 2.4449 1.2330 2.6022 3.1470 3.1470 2.2887 2.3774
H4 1.0896 2.1286 2.6022 1.7882 1.7882 3.3116 4.0607
H5 1.0948 2.1385 3.1470 1.7882 1.7631 2.6477 3.5518
H6 1.0948 2.1385 3.1470 1.7882 1.7631 2.6477 3.5518
O7 2.3812 1.3832 2.2887 3.3116 2.6477 2.6477 0.9822
H8 3.2428 1.9531 2.3774 4.0607 3.5518 3.5518 0.9822
Maximum atom distance is 4.0607Å 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 126.714 C1 C2 O7 111.341
O3 C2 O7 121.945
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.607 C2 C1 H5 110.082
C2 C1 H6 110.082 C2 O7 H8 110.164
H4 C1 H5 109.889 H4 C1 H6 109.889
H5 C1 H6 107.264

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