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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

MP3=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9986 -0.9767 0.0000   -1.3944 0.0817 0.0000
C2 0.0000 0.1435 0.0000   0.0942 -0.1083 0.0000
O3 0.2806 1.3229 0.0000   0.6563 -1.1824 0.0000
H4 1.9854 -0.5225 0.0000   -1.8410 -0.9085 0.0000
H5 0.8713 -1.6086 0.8838   -1.7130 0.6421 0.8838
H6 0.8713 -1.6086 -0.8838   -1.7130 0.6421 -0.8838
O7 -1.2706 -0.2955 0.0000   0.7649 1.0567 0.0000
H8 -1.8001 0.5189 0.0000   1.6988 0.7896 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5007 2.4091 1.0863 1.0939 1.0939 2.3693 3.1732
C2 1.5007 1.2123 2.0941 2.1471 2.1471 1.3443 1.8388
O3 2.4091 1.2123 2.5123 3.1183 3.1183 2.2418 2.2306
H4 1.0863 2.0941 2.5123 1.7894 1.7894 3.2639 3.9261
H5 1.0939 2.1471 3.1183 1.7894 1.7675 2.6633 3.5275
H6 1.0939 2.1471 3.1183 1.7894 1.7675 2.6633 3.5275
O7 2.3693 1.3443 2.2418 3.2639 2.6633 2.6633 0.9714
H8 3.1732 1.8388 2.2306 3.9261 3.5275 3.5275 0.9714
Maximum atom distance is 3.9261Å 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 124.899 C1 C2 O7 112.655
O3 C2 O7 122.446
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 107.003 C2 C1 H5 110.717
C2 C1 H6 110.717 C2 O7 H8 103.967
H4 C1 H5 110.323 H4 C1 H6 110.323
H5 C1 H6 107.781

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