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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

MP2/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5973 -0.8661 0.0000   -0.9569 -0.4373 0.0000
C2 0.0000 0.5234 0.0000   0.5154 -0.0912 0.0000
O3 -0.9404 1.4840 0.0000   1.2974 -1.1846 0.0000
O4 1.1921 0.7347 0.0000   0.9311 1.0459 0.0000
O5 0.4090 -1.8449 0.0000   -1.7455 0.7241 0.0000
H6 -1.2373 -0.9553 0.8855   -1.1562 -1.0519 0.8855
H7 -1.2373 -0.9553 -0.8855   -1.1562 -1.0519 -0.8855
H8 1.2349 -1.3472 0.0000   -1.1115 1.4507 0.0000
H9 -0.4615 2.3243 0.0000   2.2084 -0.8594 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5125 2.3750 2.4010 1.4038 1.0962 1.0962 1.8943 3.1933
C2 1.5125 1.3443 1.2107 2.4034 2.1217 2.1217 2.2415 1.8591
O3 2.3750 1.3443 2.2603 3.5920 2.6120 2.6120 3.5704 0.9672
O4 2.4010 1.2107 2.2603 2.6959 3.0890 3.0890 2.0824 2.2937
O5 1.4038 2.4034 3.5920 2.6959 2.0702 2.0702 0.9643 4.2591
H6 1.0962 2.1217 2.6120 3.0890 2.0702 1.7711 2.6551 3.4845
H7 1.0962 2.1217 2.6120 3.0890 2.0702 1.7711 2.6551 3.4845
H8 1.8943 2.2415 3.5704 2.0824 0.9643 2.6551 2.6551 4.0445
H9 3.1933 1.8591 0.9672 2.2937 4.2591 3.4845 3.4845 4.0445
Maximum atom distance is 4.2591Å 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 112.346 C1 C2 O4 123.312
C2 C1 O5 110.946 O3 C2 O4 124.342
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 104.721 C2 C1 H6 107.775
C2 C1 H7 107.775 C2 O3 H9 105.927
O5 C1 H6 111.209 O5 C1 H7 111.209
H6 C1 H7 107.767

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