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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

BLYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1652 -0.8093 0.0000   -1.4161 -0.0855 0.0000
C2 0.0000 0.1732 0.0000   0.1072 -0.1360 0.0000
O3 0.0379 1.4084 0.0000   0.8420 -1.1297 0.0000
H4 2.1104 -0.2538 0.0000   -1.8147 -1.1069 0.0000
H5 1.1027 -1.4566 0.8891   -1.7676 0.4616 0.8891
H6 1.1027 -1.4566 -0.8891   -1.7676 0.4616 -0.8891
O7 -1.2071 -0.5521 0.0000   0.6064 1.1808 0.0000
H8 -1.9531 0.1330 0.0000   1.6163 1.1044 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5241 2.4878 1.0964 1.1016 1.1016 2.3862 3.2576
C2 1.5241 1.2358 2.1532 2.1593 2.1593 1.4083 1.9535
O3 2.4878 1.2358 2.6567 3.1832 3.1832 2.3224 2.3645
H4 1.0964 2.1532 2.6567 1.8036 1.8036 3.3310 4.0819
H5 1.1016 2.1593 3.1832 1.8036 1.7783 2.6351 3.5574
H6 1.1016 2.1593 3.1832 1.8036 1.7783 2.6351 3.5574
O7 2.3862 1.4083 2.3224 3.3310 2.6351 2.6351 1.0128
H8 3.2576 1.9535 2.3645 4.0819 3.5574 3.5574 1.0128
Maximum atom distance is 4.0819Å 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 128.381 C1 C2 O7 108.864
O3 C2 O7 122.756
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.418 C2 C1 H5 109.598
C2 C1 H6 109.598 C2 O7 H8 106.440
H4 C1 H5 110.283 H4 C1 H6 110.283
H5 C1 H6 107.637

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