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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

PBE1PBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.2979 0.3412 0.0000   0.1984 0.2776 0.2979
O2 -1.0359 0.9664 0.0000   0.5619 0.7862 -1.0359
O3 0.2979 -0.7090 1.2654   0.6172 -1.3126 0.2979
O4 0.2979 -0.7090 -1.2654   -1.4417 0.1590 0.2979
H5 -0.6227 -0.9234 1.4956   0.6799 -1.6209 -0.6227
H6 -0.6227 -0.9234 -1.4956   -1.7537 0.1184 -0.6227
Atom - Atom Distances (Å)
  S1 O2 O3 O4 H5 H6
S1 1.4731 1.6444 1.6444 2.1642 2.1642
O2 1.4731 2.4874 2.4874 2.4452 2.4452
O3 1.6444 2.4874 2.5307 0.9729 2.9183
O4 1.6444 2.4874 2.5307 2.9183 0.9729
H5 2.1642 2.4452 0.9729 2.9183 2.9912
H6 2.1642 2.4452 2.9183 0.9729 2.9912
Maximum atom distance is 2.9912Å 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 105.726 O2 S1 O4 105.726
O3 S1 O4 100.618
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O3 H5 108.838 S1 O4 H6 108.838

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