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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

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5770 -0.8671 0.0000   -0.9621 -0.3990 0.0000
C2 0.0000 0.5249 0.0000   0.5151 -0.1012 0.0000
O3 -0.9342 1.4578 0.0000   1.2503 -1.1978 0.0000
O4 1.1600 0.7583 0.0000   0.9678 0.9920 0.0000
O5 0.4178 -1.8295 0.0000   -1.7146 0.7627 0.0000
H6 -1.2106 -0.9682 0.8749   -1.1834 -1.0012 0.8749
H7 -1.2106 -0.9682 -0.8749   -1.1834 -1.0012 -0.8749
H8 1.2637 -1.4141 0.0000   -1.1439 1.5126 0.0000
H9 -0.5290 2.3110 0.0000   2.1656 -0.9646 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5069 2.3522 2.3789 1.3841 1.0849 1.0849 1.9202 3.1785
C2 1.5069 1.3202 1.1832 2.3912 2.1120 2.1120 2.3145 1.8627
O3 2.3522 1.3202 2.2079 3.5545 2.5937 2.5937 3.6164 0.9445
O4 2.3789 1.1832 2.2079 2.6922 3.0604 3.0604 2.1749 2.2941
O5 1.3841 2.3912 3.5545 2.6922 2.0394 2.0394 0.9424 4.2473
H6 1.0849 2.1120 2.5937 3.0604 2.0394 1.7498 2.6620 3.4616
H7 1.0849 2.1120 2.5937 3.0604 2.0394 1.7498 2.6620 3.4616
H8 1.9202 2.3145 3.6164 2.1749 0.9424 2.6620 2.6620 4.1340
H9 3.1785 1.8627 0.9445 2.2941 4.2473 3.4616 3.4616 4.1340
Maximum atom distance is 4.2473Å 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 112.445 C1 C2 O4 123.891
C2 C1 O5 111.538 O3 C2 O4 123.664
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 109.792 C2 C1 H6 108.039
C2 C1 H7 108.039 C2 O3 H9 109.549
O5 C1 H6 110.791 O5 C1 H7 110.791
H6 C1 H7 107.489

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