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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

BLYP/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1073   0.0000 0.1073 0.0000
O2 0.0000 0.0000 1.3226   0.0000 1.3226 0.0000
O3 0.0000 1.0997 -0.6907   1.0997 -0.6907 0.0000
O4 0.0000 -1.0997 -0.6907   -1.0997 -0.6907 0.0000
H5 0.0000 1.8682 -0.0871   1.8682 -0.0871 0.0000
H6 0.0000 -1.8682 -0.0871   -1.8682 -0.0871 0.0000
Atom - Atom Distances (Å)
  C1 O2 O3 O4 H5 H6
C1 1.2153 1.3587 1.3587 1.8783 1.8783
O2 1.2153 2.2941 2.2941 2.3404 2.3404
O3 1.3587 2.2941 2.1994 0.9772 3.0286
O4 1.3587 2.2941 2.1994 3.0286 0.9772
H5 1.8783 2.3404 0.9772 3.0286 3.7364
H6 1.8783 2.3404 3.0286 0.9772 3.7364
Maximum atom distance is 3.7364Å 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 125.967 O2 C1 O4 125.967
O3 C1 O4 108.066
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H5 105.887 C1 O4 H6 105.887

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