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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

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6049 -0.8585 0.0000   -0.9540 -0.4392 0.0000
C2 0.0000 0.5196 0.0000   0.5110 -0.0942 0.0000
O3 -0.9146 1.4930 0.0000   1.3024 -1.1703 0.0000
O4 1.1933 0.7164 0.0000   0.9209 1.0436 0.0000
O5 0.3879 -1.8375 0.0000   -1.7367 0.7147 0.0000
H6 -1.2487 -0.9510 0.8825   -1.1617 -1.0555 0.8825
H7 -1.2487 -0.9510 -0.8825   -1.1617 -1.0555 -0.8825
H8 1.2399 -1.3787 0.0000   -1.1309 1.4693 0.0000
H9 -0.4451 2.3394 0.0000   2.2199 -0.8620 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7 H8 H9
C1 1.5050 2.3719 2.3903 1.3943 1.0963 1.0963 1.9167 3.2019
C2 1.5050 1.3357 1.2094 2.3888 2.1214 2.1214 2.2673 1.8735
O3 2.3719 1.3357 2.2464 3.5762 2.6198 2.6198 3.5900 0.9679
O4 2.3903 1.2094 2.2464 2.6779 3.0858 3.0858 2.0956 2.3062
O5 1.3943 2.3888 3.5762 2.6779 2.0598 2.0598 0.9677 4.2592
H6 1.0963 2.1214 2.6198 3.0858 2.0598 1.7650 2.6748 3.5002
H7 1.0963 2.1214 2.6198 3.0858 2.0598 1.7650 2.6748 3.5002
H8 1.9167 2.2673 3.5900 2.0956 0.9677 2.6748 2.6748 4.0820
H9 3.2019 1.8735 0.9679 2.3062 4.2592 3.5002 3.5002 4.0820
Maximum atom distance is 4.2592Å 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 113.085 C1 C2 O4 123.063
C2 C1 O5 110.902 O3 C2 O4 123.852
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O5 H8 107.093 C2 C1 H6 108.256
C2 C1 H7 108.256 C2 O3 H9 107.763
O5 C1 H6 111.032 O5 C1 H7 111.032
H6 C1 H7 107.223

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