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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

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3303 0.3821 0.0000   0.2206 0.3119 0.3303
O2 -1.1608 0.9320 0.0000   0.5382 0.7609 -1.1608
O3 0.3303 -0.7310 1.3693   0.6958 -1.3876 0.3303
O4 0.3303 -0.7310 -1.3693   -1.5401 0.1940 0.3303
H5 -0.6413 -0.9366 1.5514   0.7257 -1.6605 -0.6413
H6 -0.6413 -0.9366 -1.5514   -1.8074 0.1313 -0.6413
Atom - Atom Distances (Å)
  S1 O2 O3 O4 H5 H6
S1 1.5892 1.7646 1.7646 2.2560 2.2560
O2 1.5892 2.6199 2.6199 2.4836 2.4836
O3 1.7646 2.6199 2.7387 1.0097 3.0849
O4 1.7646 2.6199 2.7387 3.0849 1.0097
H5 2.2560 2.4836 1.0097 3.0849 3.1028
H6 2.2560 2.4836 3.0849 1.0097 3.1028
Maximum atom distance is 3.1028Å 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 102.607 O2 S1 O4 102.607
O3 S1 O4 101.789
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O3 H5 105.566 S1 O4 H6 105.566

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