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Geometry for (Sulfurous acid) 1A' CS

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

CISD/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2941 0.3412 0.0000   0.2204 0.2604 0.2941
O2 -1.0273 0.9385 0.0000   0.6062 0.7165 -1.0273
O3 0.2941 -0.6924 1.2389   0.4986 -1.3288 0.2941
O4 0.2941 -0.6924 -1.2389   -1.3930 0.2716 0.2941
H5 -0.5967 -0.9445 1.4859   0.5243 -1.6808 -0.5967
H6 -0.5967 -0.9445 -1.4859   -1.7444 0.2387 -0.5967
Atom - Atom Distances (Å)
  S1 O2 O3 O4 H5 H6
S1 1.4501 1.6134 1.6134 2.1573 2.1573
O2 1.4501 2.4374 2.4374 2.4370 2.4370
O3 1.6134 2.4374 2.4778 0.9581 2.8777
O4 1.6134 2.4374 2.4778 2.8777 0.9581
H5 2.1573 2.4370 0.9581 2.8777 2.9718
H6 2.1573 2.4370 2.8777 0.9581 2.9718
Maximum atom distance is 2.9718Å 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 105.301 O2 S1 O4 105.301
O3 S1 O4 100.327
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O3 H5 111.499 S1 O4 H6 111.499

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