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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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6009 -0.8670 0.0000   -0.9669 -0.4217 0.0000
C2 0.0000 0.5226 0.0000   0.5128 -0.1012 0.0000
O3 -0.9413 1.4883 0.0000   1.2779 -1.2116 0.0000
O4 1.1967 0.7414 0.0000   0.9590 1.0306 0.0000
O5 0.4076 -1.8514 0.0000   -1.7375 0.7583 0.0000
H6 -1.2454 -0.9641 0.8862   -1.1869 -1.0352 0.8862
H7 -1.2454 -0.9641 -0.8862   -1.1869 -1.0352 -0.8862
H8 1.2582 -1.3748 0.0000   -1.1052 1.5005 0.0000
H9 -0.4663 2.3431 0.0000   2.2085 -0.9111 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5140 2.3797 2.4121 1.4093 1.1001 1.1001 1.9272 3.2130
C2 1.5140 1.3485 1.2165 2.4088 2.1323 2.1323 2.2767 1.8793
O3 2.3797 1.3485 2.2647 3.6018 2.6252 2.6252 3.6104 0.9780
O4 2.4121 1.2165 2.2647 2.7102 3.1077 3.1077 2.1171 2.3090
O5 1.4093 2.4088 3.6018 2.7102 2.0749 2.0749 0.9750 4.2846
H6 1.1001 2.1323 2.6252 3.1077 2.0749 1.7724 2.6874 3.5114
H7 1.1001 2.1323 2.6252 3.1077 2.0749 1.7724 2.6874 3.5114
H8 1.9272 2.2767 3.6104 2.1171 0.9750 2.6874 2.6874 4.0984
H9 3.2130 1.8793 0.9780 2.3090 4.2846 3.5114 3.5114 4.0984
Maximum atom distance is 4.2846Å 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 112.347 C1 C2 O4 123.742
C2 C1 O5 110.923 O3 C2 O4 123.911
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 106.431 C2 C1 H6 108.271
C2 C1 H7 108.271 C2 O3 H9 106.676
O5 C1 H6 110.956 O5 C1 H7 110.956
H6 C1 H7 107.332

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