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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

B3PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1398 -0.8162 0.0000   -1.3973 -0.1132 0.0000
C2 0.0000 0.1658 0.0000   0.1071 -0.1265 0.0000
O3 0.0594 1.3879 0.0000   0.8512 -1.0978 0.0000
H4 2.0867 -0.2765 0.0000   -1.7715 -1.1369 0.0000
H5 1.0688 -1.4595 0.8834   -1.7587 0.4237 0.8834
H6 1.0688 -1.4595 -0.8834   -1.7587 0.4237 -0.8834
O7 -1.2000 -0.5192 0.0000   0.5807 1.1715 0.0000
H8 -1.9379 0.1485 0.0000   1.5753 1.1385 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5045 2.4547 1.0900 1.0951 1.0951 2.3586 3.2254
C2 1.5045 1.2236 2.1331 2.1364 2.1364 1.3817 1.9380
O3 2.4547 1.2236 2.6231 3.1476 3.1476 2.2854 2.3506
H4 1.0900 2.1331 2.6231 1.7933 1.7933 3.2957 4.0470
H5 1.0951 2.1364 3.1476 1.7933 1.7668 2.6100 3.5223
H6 1.0951 2.1364 3.1476 1.7933 1.7668 2.6100 3.5223
O7 2.3586 1.3817 2.2854 3.2957 2.6100 2.6100 0.9952
H8 3.2254 1.9380 2.3506 4.0470 3.5223 3.5223 0.9952
Maximum atom distance is 4.0470Å 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 127.966 C1 C2 O7 109.534
O3 C2 O7 122.500
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.571 C2 C1 H5 109.533
C2 C1 H6 109.533 C2 O7 H8 108.141
H4 C1 H5 110.313 H4 C1 H6 110.313
H5 C1 H6 107.549

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