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Geometry for H2SO3 (Sulfurous acid) 1A' CS

1910171554
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3) INChIKey=LSNNMFCWUKXFEE-UHFFFAOYSA-N

QCISD/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3057 0.3523 0.0000   0.0000 0.1055 0.4543
O2 -1.0654 0.9678 0.0000   0.0000 1.4090 -0.2937
O3 0.3057 -0.7248 1.2834   1.2834 -0.7661 -0.1784
O4 0.3057 -0.7248 -1.2834   -1.2834 -0.7661 -0.1784
H5 -0.6291 -0.8906 1.5035   1.5035 -0.3511 -1.0323
H6 -0.6291 -0.8906 -1.5035   -1.5035 -0.3511 -1.0323
Atom - Atom Distances (Å)
  S1 O2 O3 O4 H5 H6
S1 1.5029 1.6754 1.6754 2.1631 2.1631
O2 1.5029 2.5282 2.5282 2.4299 2.4299
O3 1.6754 2.5282 2.5667 0.9746 2.9442
O4 1.6754 2.5282 2.5667 2.9442 0.9746
H5 2.1631 2.4299 0.9746 2.9442 3.0070
H6 2.1631 2.4299 2.9442 0.9746 3.0070
Maximum atom distance is 3.0070Å between atoms H5 and H6.
picture of Sulfurous acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 O3 105.265 O2 S1 O4 105.265
O3 S1 O4 99.989
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O3 H5 106.401 S1 O4 H6 106.401

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