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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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0823 -0.9078 0.0000   -1.4126 -0.0120 0.0000
C2 0.0000 0.1586 0.0000   0.1029 -0.1206 0.0000
O3 0.1748 1.3687 0.0000   0.7554 -1.1546 0.0000
H4 2.0680 -0.4288 0.0000   -1.8515 -1.0161 0.0000
H5 0.9778 -1.5527 0.8863   -1.7517 0.5465 0.8863
H6 0.9778 -1.5527 -0.8863   -1.7517 0.5465 -0.8863
O7 -1.2547 -0.4089 0.0000   0.6890 1.1255 0.0000
H8 -1.8781 0.3520 0.0000   1.6571 0.9513 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5194 2.4507 1.0959 1.1011 1.1011 2.3897 3.2173
C2 1.5194 1.2226 2.1498 2.1610 2.1610 1.3771 1.8880
O3 2.4507 1.2226 2.6106 3.1567 3.1567 2.2811 2.2908
H4 1.0959 2.1498 2.6106 1.7992 1.7992 3.3228 4.0226
H5 1.1011 2.1610 3.1567 1.7992 1.7726 2.6604 3.5453
H6 1.1011 2.1610 3.1567 1.7992 1.7726 2.6604 3.5453
O7 2.3897 1.3771 2.2811 3.3228 2.6604 2.6604 0.9837
H8 3.2173 1.8880 2.2908 4.0226 3.5453 3.5453 0.9837
Maximum atom distance is 4.0226Å 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 126.355 C1 C2 O7 111.089
O3 C2 O7 122.556
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.507 C2 C1 H5 110.085
C2 C1 H6 110.085 C2 O7 H8 104.986
H4 C1 H5 109.962 H4 C1 H6 109.962
H5 C1 H6 107.211

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