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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/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2006 -0.8004 0.0000   -1.4427 -0.0262 0.0000
C2 0.0000 0.1609 0.0000   0.0916 -0.1322 0.0000
O3 0.0224 1.4283 0.0000   0.7953 -1.1866 0.0000
H4 2.1353 -0.2109 0.0000   -1.8751 -1.0432 0.0000
H5 1.1549 -1.4489 0.8971   -1.7746 0.5328 0.8971
H6 1.1549 -1.4489 -0.8971   -1.7746 0.5328 -0.8971
O7 -1.2284 -0.5672 0.0000   0.6864 1.1660 0.0000
H8 -2.0006 0.0566 0.0000   1.6764 1.0932 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 O7 H8
C1 1.5380 2.5210 1.1051 1.1079 1.1079 2.4402 3.3139
C2 1.5380 1.2677 2.1675 2.1748 2.1748 1.4280 2.0033
O3 2.5210 1.2677 2.6743 3.2196 3.2196 2.3552 2.4442
H4 1.1051 2.1675 2.6743 1.8162 1.8162 3.3826 4.1446
H5 1.1079 2.1748 3.2196 1.8162 1.7941 2.6949 3.6094
H6 1.1079 2.1748 3.2196 1.8162 1.7941 2.6949 3.6094
O7 2.4402 1.4280 2.3552 3.3826 2.6949 2.6949 0.9926
H8 3.3139 2.0033 2.4442 4.1446 3.6094 3.6094 0.9926
Maximum atom distance is 4.1446Å 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 127.670 C1 C2 O7 110.664
O3 C2 O7 121.666
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 109.080 C2 C1 H5 109.489
C2 C1 H6 109.489 C2 O7 H8 110.413
H4 C1 H5 110.313 H4 C1 H6 110.313
H5 C1 H6 108.140

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