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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

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0628 -0.9033 0.0000   -1.3947 -0.0168 0.0000
C2 0.0000 0.1517 0.0000   0.0996 -0.1144 0.0000
O3 0.1819 1.3464 0.0000   0.7470 -1.1348 0.0000
H4 2.0425 -0.4322 0.0000   -1.8242 -1.0155 0.0000
H5 0.9519 -1.5400 0.8800   -1.7292 0.5362 0.8800
H6 0.9519 -1.5400 -0.8800   -1.7292 0.5362 -0.8800
O7 -1.2392 -0.3877 0.0000   0.6799 1.1061 0.0000
H8 -1.8648 0.3522 0.0000   1.6376 0.9591 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.4975 2.4160 1.0871 1.0919 1.0919 2.3590 3.1855
C2 1.4975 1.2085 2.1243 2.1313 2.1313 1.3514 1.8756
O3 2.4160 1.2085 2.5740 3.1142 3.1142 2.2419 2.2754
H4 1.0871 2.1243 2.5740 1.7864 1.7864 3.2820 3.9853
H5 1.0919 2.1313 3.1142 1.7864 1.7600 2.6273 3.5055
H6 1.0919 2.1313 3.1142 1.7864 1.7600 2.6273 3.5055
O7 2.3590 1.3514 2.2419 3.2820 2.6273 2.6273 0.9690
H8 3.1855 1.8756 2.2754 3.9853 3.5055 3.5055 0.9690
Maximum atom distance is 3.9853Å 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 126.131 C1 C2 O7 111.691
O3 C2 O7 122.178
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.533 C2 C1 H5 109.800
C2 C1 H6 109.800 C2 O7 H8 106.699
H4 C1 H5 110.136 H4 C1 H6 110.136
H5 C1 H6 107.409

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