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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

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6096 -0.8598 0.0000   -0.9619 -0.4307 0.0000
C2 0.0000 0.5180 0.0000   0.5081 -0.1008 0.0000
O3 -0.9091 1.4964 0.0000   1.2910 -1.1828 0.0000
O4 1.1938 0.7060 0.0000   0.9247 1.0337 0.0000
O5 0.3858 -1.8323 0.0000   -1.7223 0.7349 0.0000
H6 -1.2582 -0.9477 0.8813   -1.1744 -1.0498 0.8813
H7 -1.2582 -0.9477 -0.8813   -1.1744 -1.0498 -0.8813
H8 1.2285 -1.3494 0.0000   -1.0846 1.4675 0.0000
H9 -0.4192 2.3354 0.0000   2.2092 -0.8655 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5066 2.3751 2.3883 1.3917 1.0978 1.0978 1.9022 3.2008
C2 1.5066 1.3356 1.2085 2.3818 2.1232 2.1232 2.2353 1.8651
O3 2.3751 1.3356 2.2466 3.5717 2.6215 2.6215 3.5592 0.9716
O4 2.3883 1.2085 2.2466 2.6638 3.0861 3.0861 2.0557 2.2927
O5 1.3917 2.3818 3.5717 2.6638 2.0645 2.0645 0.9712 4.2447
H6 1.0978 2.1232 2.6215 3.0861 2.0645 1.7627 2.6686 3.5013
H7 1.0978 2.1232 2.6215 3.0861 2.0645 1.7627 2.6686 3.5013
H8 1.9022 2.2353 3.5592 2.0557 0.9712 2.6686 2.6686 4.0364
H9 3.2008 1.8651 0.9716 2.2927 4.2447 3.5013 3.5013 4.0364
Maximum atom distance is 4.2447Å 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 113.236 C1 C2 O4 122.815
C2 C1 O5 110.469 O3 C2 O4 123.949
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 105.848 C2 C1 H6 108.198
C2 C1 H7 108.198 C2 O3 H9 106.818
O5 C1 H6 111.506 O5 C1 H7 111.506
H6 C1 H7 106.801

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