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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0723 -0.8930 0.0000   1.3954 -0.0103 0.0000
C2 0.0000 0.1557 0.0000   -0.0987 0.1204 0.0000
O3 0.1688 1.3533 0.0000   -0.7278 1.1534 0.0000
H4 2.0455 -0.4136 0.0000   1.8437 0.9776 0.0000
H5 0.9659 -1.5250 0.8801   1.7140 -0.5665 0.8801
H6 0.9659 -1.5250 -0.8801   1.7140 -0.5665 -0.8801
O7 -1.2370 -0.4086 0.0000   -0.6972 -1.1005 0.0000
H8 -1.8659 0.3299 0.0000   -1.6518 -0.9284 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.4999 2.4212 1.0848 1.0888 1.0888 2.3596 3.1826
C2 1.4999 1.2095 2.1232 2.1289 2.1289 1.3596 1.8740
O3 2.4212 1.2095 2.5775 3.1137 3.1137 2.2541 2.2776
H4 1.0848 2.1232 2.5775 1.7820 1.7820 3.2825 3.9814
H5 1.0888 2.1289 3.1137 1.7820 1.7602 2.6218 3.4978
H6 1.0888 2.1289 3.1137 1.7820 1.7602 2.6218 3.4978
O7 2.3596 1.3596 2.2541 3.2825 2.6218 2.6218 0.9700
H8 3.1826 1.8740 2.2776 3.9814 3.4978 3.4978 0.9700
Maximum atom distance is 3.9814Å 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 126.336 C1 C2 O7 111.119
O3 C2 O7 122.545
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.412 C2 C1 H5 109.633
C2 C1 H6 109.633 C2 O7 H8 105.896
H4 C1 H5 110.136 H4 C1 H6 110.136
H5 C1 H6 107.871

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