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Geometry for H2SeO4 (Selenic acid) 1A C2

1910171554
InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4) INChIKey=QYHFIVBSNOWOCQ-UHFFFAOYSA-N

CCSD(T)/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.1314   0.0000 0.0000 0.1314
O2 0.0000 1.4399 0.8554   1.2777 0.6639 0.8554
O3 0.0000 -1.4399 0.8554   -1.2777 -0.6639 0.8554
O4 1.3484 -0.0040 -1.0010   -0.6253 1.1946 -1.0010
O5 -1.3484 0.0040 -1.0010   0.6253 -1.1946 -1.0010
H6 1.6303 -0.9416 -1.0685   -1.5872 1.0125 -1.0685
H7 -1.6303 0.9416 -1.0685   1.5872 -1.0125 -1.0685
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.6116 1.6116 1.7608 1.7608 2.2325 2.2325
O2 1.6116 2.8797 2.7109 2.7066 3.4685 2.5705
O3 1.6116 2.8797 2.7066 2.7109 2.5705 3.4685
O4 1.7608 2.7109 2.7066 2.6968 0.9814 3.1259
O5 1.7608 2.7066 2.7109 2.6968 3.1259 0.9814
H6 2.2325 3.4685 2.5705 0.9814 3.1259 3.7653
H7 2.2325 2.5705 3.4685 3.1259 0.9814 3.7653
Maximum atom distance is 3.7653Å between atoms H6 and H7.
picture of Selenic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Se1 O3 126.612 O2 Se1 O4 106.914
O2 Se1 O5 106.670 O3 Se1 O4 106.670
O3 Se1 O5 106.914 O4 Se1 O5 99.953
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 105.450 Se1 O5 H7 105.450

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