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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

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 0.9993 -0.9748 0.0000
C2 0.0000 0.1446 0.0000
O3 0.2821 1.3349 0.0000
H4 1.9849 -0.5196 0.0000
H5 0.8744 -1.6073 0.8828
H6 0.8744 -1.6073 -0.8828
O7 -1.2725 -0.3090 0.0000
H8 -1.8065 0.5078 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5006 2.4185 1.0856 1.0932 1.0932 2.3674 3.1734
C2 1.5006 1.2233 2.0931 2.1478 2.1478 1.3510 1.8426
O3 2.4185 1.2233 2.5177 3.1284 3.1284 2.2627 2.2465
H4 1.0856 2.0931 2.5177 1.7877 1.7877 3.2642 3.9282
H5 1.0932 2.1478 3.1284 1.7877 1.7655 2.6597 3.5270
H6 1.0932 2.1478 3.1284 1.7877 1.7655 2.6597 3.5270
O7 2.3674 1.3510 2.2627 3.2642 2.6597 2.6597 0.9759
H8 3.1734 1.8426 2.2465 3.9282 3.5270 3.5270 0.9759
Maximum atom distance is 3.9282Å between atoms H4 and H8.
picture of Acetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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