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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

mPW1PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1360 -0.8162 0.0000   -1.3922 -0.1358 0.0000
C2 0.0000 0.1649 0.0000   0.1088 -0.1240 0.0000
O3 0.0614 1.3844 0.0000   0.8669 -1.0811 0.0000
H4 2.0823 -0.2785 0.0000   -1.7489 -1.1641 0.0000
H5 1.0636 -1.4583 0.8821   -1.7613 0.3946 0.8821
H6 1.0636 -1.4583 -0.8821   -1.7613 0.3946 -0.8821
O7 -1.1977 -0.5152 0.0000   0.5605 1.1772 0.0000
H8 -1.9353 0.1493 0.0000   1.5531 1.1642 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5011 2.4490 1.0884 1.0935 1.0935 2.3531 3.2195
C2 1.5011 1.2210 2.1290 2.1318 2.1318 1.3773 1.9353
O3 2.4490 1.2210 2.6172 3.1406 3.1406 2.2789 2.3478
H4 1.0884 2.1290 2.6172 1.7910 1.7910 3.2886 4.0403
H5 1.0935 2.1318 3.1406 1.7910 1.7643 2.6041 3.5151
H6 1.0935 2.1318 3.1406 1.7910 1.7643 2.6041 3.5151
O7 2.3531 1.3773 2.2789 3.2886 2.6041 2.6041 0.9927
H8 3.2195 1.9353 2.3478 4.0403 3.5151 3.5151 0.9927
Maximum atom distance is 4.0403Å 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 127.933 C1 C2 O7 109.596
O3 C2 O7 122.471
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.581 C2 C1 H5 109.494
C2 C1 H6 109.494 C2 O7 H8 108.395
H4 C1 H5 110.344 H4 C1 H6 110.344
H5 C1 H6 107.552

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