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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

MP4/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6056 -0.8677 0.0000   0.6096 -0.8649 0.0011
C2 0.0000 0.5225 0.0000   -0.0024 0.5225 -0.0008
O3 -0.9443 1.4935 0.0000   0.9375 1.4978 -0.0028
O4 1.2059 0.7379 0.0000   -1.2093 0.7324 -0.0006
O5 0.4062 -1.8538 0.0000   -0.3977 -1.8556 0.0031
H6 -1.2512 -0.9643 0.8874   1.2560 -0.9571 0.8883
H7 -1.2512 -0.9643 -0.8874   1.2552 -0.9600 -0.8864
H8 1.2538 -1.3674 0.0000   -1.2475 -1.3731 0.0027
H9 -0.4605 2.3464 0.0000   0.4497 2.3485 -0.0039
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5163 2.3854 2.4207 1.4129 1.1016 1.1016 1.9253 3.2173
C2 1.5163 1.3545 1.2250 2.4107 2.1362 2.1362 2.2679 1.8812
O3 2.3854 1.3545 2.2792 3.6095 2.6310 2.6310 3.6078 0.9806
O4 2.4207 1.2250 2.2792 2.7123 3.1181 3.1181 2.1059 2.3161
O5 1.4129 2.4107 3.6095 2.7123 2.0798 2.0798 0.9772 4.2887
H6 1.1016 2.1362 2.6310 3.1181 2.0798 1.7747 2.6879 3.5176
H7 1.1016 2.1362 2.6310 3.1181 2.0798 1.7747 2.6879 3.5176
H8 1.9253 2.2679 3.6078 2.1059 0.9772 2.6879 2.6879 4.0903
H9 3.2173 1.8812 0.9806 2.3161 4.2887 3.5176 3.5176 4.0903
Maximum atom distance is 4.2887Å 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 112.259 C1 C2 O4 123.670
C2 C1 O5 110.723 O3 C2 O4 124.071
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 105.886 C2 C1 H6 108.328
C2 C1 H7 108.328 C2 O3 H9 106.232
O5 C1 H6 111.007 O5 C1 H7 111.007
H6 C1 H7 107.322

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