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Geometry for H2CO3 (Carbonic acid) 1A1 C2V

1910171554
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4) INChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0935   0.0935 0.0000 0.0000
O2 0.0000 0.0000 1.2755   1.2755 0.0000 0.0000
O3 0.0000 1.0728 -0.6606   -0.6606 0.0000 1.0728
O4 0.0000 -1.0728 -0.6606   -0.6606 0.0000 -1.0728
H5 0.0000 1.8300 -0.0980   -0.0980 0.0000 1.8300
H6 0.0000 -1.8300 -0.0980   -0.0980 0.0000 -1.8300
Atom - Atom Distances (Å)
  C1 O2 O3 O4 H5 H6
C1 1.1821 1.3113 1.3113 1.8399 1.8399
O2 1.1821 2.2134 2.2134 2.2881 2.2881
O3 1.3113 2.2134 2.1456 0.9433 2.9568
O4 1.3113 2.2134 2.1456 2.9568 0.9433
H5 1.8399 2.2881 0.9433 2.9568 3.6599
H6 1.8399 2.2881 2.9568 0.9433 3.6599
Maximum atom distance is 3.6599Å between atoms H5 and H6.
picture of Carbonic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 125.102 O2 C1 O4 125.102
O3 C1 O4 109.796
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H5 108.286 C1 O4 H6 108.286

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