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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/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5984 -0.8663 0.0000   -0.9689 -0.4121 0.0000
C2 0.0000 0.5238 0.0000   0.5131 -0.1053 0.0000
O3 -0.9505 1.4893 0.0000   1.2679 -1.2304 0.0000
O4 1.2012 0.7449 0.0000   0.9711 1.0269 0.0000
O5 0.4113 -1.8566 0.0000   -1.7361 0.7760 0.0000
H6 -1.2409 -0.9643 0.8908   -1.1941 -1.0218 0.8908
H7 -1.2409 -0.9643 -0.8908   -1.1941 -1.0218 -0.8908
H8 1.2582 -1.3793 0.0000   -1.0983 1.5097 0.0000
H9 -0.4817 2.3426 0.0000   2.1980 -0.9427 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5134 2.3818 2.4154 1.4143 1.1027 1.1027 1.9261 3.2110
C2 1.5134 1.3548 1.2213 2.4157 2.1326 2.1326 2.2814 1.8815
O3 2.3818 1.3548 2.2768 3.6124 2.6265 2.6265 3.6204 0.9735
O4 2.4154 1.2213 2.2768 2.7188 3.1110 3.1110 2.1249 2.3205
O5 1.4143 2.4157 3.6124 2.7188 2.0783 2.0783 0.9722 4.2931
H6 1.1027 2.1326 2.6265 3.1110 2.0783 1.7816 2.6853 3.5079
H7 1.1027 2.1326 2.6265 3.1110 2.0783 1.7816 2.6853 3.5079
H8 1.9261 2.2814 3.6204 2.1249 0.9722 2.6853 2.6853 4.1085
H9 3.2110 1.8815 0.9735 2.3205 4.2931 3.5079 3.5079 4.1085
Maximum atom distance is 4.2931Å 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 112.160 C1 C2 O4 123.719
C2 C1 O5 111.158 O3 C2 O4 124.121
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 106.145 C2 C1 H6 108.184
C2 C1 H7 108.184 C2 O3 H9 106.669
O5 C1 H6 110.713 O5 C1 H7 110.713
H6 C1 H7 107.768

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