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Geometry for HOCH2COOH (Hydroxyacetic acid) 1A CS

1910171554
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) INChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N

mPW1PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6069 -0.8611 0.0000   -0.9635 -0.4261 0.0000
C2 0.0000 0.5196 0.0000   0.5095 -0.1020 0.0000
O3 -0.9123 1.4957 0.0000   1.2876 -1.1881 0.0000
O4 1.1948 0.7106 0.0000   0.9312 1.0321 0.0000
O5 0.3872 -1.8360 0.0000   -1.7243 0.7400 0.0000
H6 -1.2578 -0.9458 0.8812   -1.1743 -1.0477 0.8812
H7 -1.2578 -0.9458 -0.8812   -1.1743 -1.0477 -0.8812
H8 1.2276 -1.3553 0.0000   -1.0880 1.4697 0.0000
H9 -0.4278 2.3338 0.0000   2.2045 -0.8776 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5082 2.3766 2.3908 1.3923 1.0989 1.0989 1.8999 3.2000
C2 1.5082 1.3361 1.2099 2.3871 2.1228 2.1228 2.2410 1.8641
O3 2.3766 1.3361 2.2486 3.5762 2.6187 2.6187 3.5648 0.9680
O4 2.3908 1.2099 2.2486 2.6715 3.0880 3.0880 2.0662 2.2952
O5 1.3923 2.3871 3.5762 2.6715 2.0676 2.0676 0.9682 4.2487
H6 1.0989 2.1228 2.6187 3.0880 2.0676 1.7625 2.6686 3.4960
H7 1.0989 2.1228 2.6187 3.0880 2.0676 1.7625 2.6686 3.4960
H8 1.8999 2.2410 3.5648 2.0662 0.9682 2.6686 2.6686 4.0436
H9 3.2000 1.8641 0.9680 2.2952 4.2487 3.4960 3.4960 4.0436
Maximum atom distance is 4.2487Å between atoms O5 and H9.
picture of Hydroxyacetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 113.210 C1 C2 O4 122.811
C2 C1 O5 110.712 O3 C2 O4 123.979
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 105.794 C2 C1 H6 107.996
C2 C1 H7 107.996 C2 O3 H9 106.910
O5 C1 H6 111.652 O5 C1 H7 111.652
H6 C1 H7 106.635

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