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Geometry for HOCH2COOH (Hydroxyacetic acid) 1A C1

1910171554
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5) INChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7713 -0.6774 0.1900   -0.7731 0.6754 0.1901
C2 0.5204 0.0854 -0.0085   0.5206 -0.0840 -0.0085
O3 1.5901 -0.6720 -0.1118   1.5882 0.6763 -0.1117
O4 0.5933 1.2662 0.0918   0.5968 -1.2646 0.0917
O5 -1.8831 0.0602 -0.1909   -1.8829 -0.0653 -0.1909
H6 -0.7373 -1.5954 -0.3761   -0.7416 1.5934 -0.3760
H7 -0.8265 -0.9525 1.2433   -0.8291 0.9502 1.2434
H8 -1.6857 0.9793 -0.0990   -1.6830 -0.9838 -0.0991
H9 2.3522 -0.1145 -0.1700   2.3519 0.1209 -0.1700
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5132 2.3805 2.3769 1.3876 1.0790 1.0900 1.9142 3.1942
C2 1.5132 1.3147 1.1873 2.4105 2.1312 2.1114 2.3820 1.8498
O3 2.3805 1.3147 2.1889 3.5503 2.5178 2.7847 3.6684 0.9460
O4 2.3769 1.1873 2.1889 2.7689 3.1903 2.8748 2.3049 2.2513
O5 1.3876 2.4105 3.5503 2.7689 2.0219 2.0491 0.9445 4.2389
H6 1.0790 2.1312 2.5178 3.1903 2.0219 1.7446 2.7577 3.4323
H7 1.0900 2.1114 2.7847 2.8748 2.0491 1.7446 2.5043 3.5782
H8 1.9142 2.3820 3.6684 2.3049 0.9445 2.7577 2.5043 4.1840
H9 3.1942 1.8498 0.9460 2.2513 4.2389 3.4323 3.5782 4.1840
Maximum atom distance is 4.2389Å 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 114.483 C1 C2 O4 122.871
C2 C1 O5 112.329 O3 C2 O4 121.974
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 108.853 C2 C1 H6 109.462
C2 C1 H7 107.290 C2 O3 H9 108.717
O5 C1 H6 109.480 O5 C1 H7 111.029
H6 C1 H7 107.091

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