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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

MP2/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1952 -0.7935 0.0000   -1.4199 -0.2052 0.0000
C2 0.0000 0.1584 0.0000   0.1056 -0.1181 0.0000
O3 0.0261 1.4200 0.0000   0.9271 -1.0759 0.0000
H4 2.1194 -0.2030 0.0000   -1.7152 -1.2613 0.0000
H5 1.1549 -1.4377 0.8907   -1.8192 0.3019 0.8907
H6 1.1549 -1.4377 -0.8907   -1.8192 0.3019 -0.8907
O7 -1.2272 -0.5664 0.0000   0.5372 1.2402 0.0000
H8 -1.9918 0.0607 0.0000   1.5252 1.2824 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5280 2.5033 1.0967 1.1000 1.1000 2.4330 3.2995
C2 1.5280 1.2618 2.1500 2.1621 2.1621 1.4253 1.9942
O3 2.5033 1.2618 2.6488 3.1990 3.1990 2.3487 2.4330
H4 1.0967 2.1500 2.6488 1.8022 1.8022 3.3662 4.1196
H5 1.1000 2.1621 3.1990 1.8022 1.7814 2.6882 3.5972
H6 1.1000 2.1621 3.1990 1.8022 1.7814 2.6882 3.5972
O7 2.4330 1.4253 2.3487 3.3662 2.6882 2.6882 0.9889
H8 3.2995 1.9942 2.4330 4.1196 3.5972 3.5972 0.9889
Maximum atom distance is 4.1196Å 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 127.352 C1 C2 O7 110.893
O3 C2 O7 121.755
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 108.888 C2 C1 H5 109.644
C2 C1 H6 109.644 C2 O7 H8 110.072
H4 C1 H5 110.257 H4 C1 H6 110.257
H5 C1 H6 108.140

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