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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=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6767 -0.8848 0.0000   -0.9998 -0.4910 0.0000
C2 0.0000 0.5329 0.0000   0.5227 -0.1040 0.0000
O3 -0.9071 1.6078 0.0000   1.3998 -1.2034 0.0000
O4 1.2549 0.6562 0.0000   0.8885 1.1027 0.0000
O5 0.3774 -1.8947 0.0000   -1.7846 0.7400 0.0000
H6 -1.3289 -0.9847 0.8989   -1.2252 -1.1112 0.8989
H7 -1.3289 -0.9847 -0.8989   -1.2252 -1.1112 -0.8989
H8 1.1979 -1.2867 0.0000   -1.0282 1.4260 0.0000
H9 -0.2822 2.4122 0.0000   2.3107 -0.7475 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5709 2.5032 2.4710 1.4598 1.1151 1.1151 1.9171 3.3205
C2 1.5709 1.4065 1.2609 2.4568 2.2085 2.2085 2.1785 1.9003
O3 2.5032 1.4065 2.3621 3.7306 2.7762 2.7762 3.5789 1.0186
O4 2.4710 1.2609 2.3621 2.6976 3.1901 3.1901 1.9438 2.3336
O5 1.4598 2.4568 3.7306 2.6976 2.1325 2.1325 1.0211 4.3571
H6 1.1151 2.2085 2.7762 3.1901 2.1325 1.7978 2.6989 3.6664
H7 1.1151 2.2085 2.7762 3.1901 2.1325 1.7978 2.6989 3.6664
H8 1.9171 2.1785 3.5789 1.9438 1.0211 2.6989 2.6989 3.9840
H9 3.3205 1.9003 1.0186 2.3336 4.3571 3.6664 3.6664 3.9840
Maximum atom distance is 4.3571Å 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 114.325 C1 C2 O4 121.127
C2 C1 O5 108.258 O3 C2 O4 124.548
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 99.688 C2 C1 H6 109.441
C2 C1 H7 109.441 C2 O3 H9 101.997
O5 C1 H6 111.123 O5 C1 H7 111.123
H6 C1 H7 107.436

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