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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

MP2/LANL2DZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.1518   0.0000 0.0000 0.1518
O2 0.0000 1.4946 0.9119   1.4943 -0.0329 0.9119
O3 0.0000 -1.4946 0.9119   -1.4943 0.0329 0.9119
O4 1.3984 0.0651 -1.0605   0.0959 1.3966 -1.0605
O5 -1.3984 -0.0651 -1.0605   -0.0959 -1.3966 -1.0605
H6 1.6809 -0.8284 -1.3920   -0.7912 1.6987 -1.3920
H7 -1.6809 0.8284 -1.3920   0.7912 -1.6987 -1.3920
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.6768 1.6768 1.8519 1.8519 2.4279 2.4279
O2 1.6768 2.9892 2.8088 2.8773 3.6783 2.9287
O3 1.6768 2.9892 2.8773 2.8088 2.9287 3.6783
O4 1.8519 2.8088 2.8773 2.7998 0.9940 3.1897
O5 1.8519 2.8773 2.8088 2.7998 3.1897 0.9940
H6 2.4279 3.6783 2.9287 0.9940 3.1897 3.7478
H7 2.4279 2.9287 3.6783 3.1897 0.9940 3.7478
Maximum atom distance is 3.7478Å 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 126.085 O2 Se1 O4 105.393
O2 Se1 O5 109.153 O3 Se1 O4 109.153
O3 Se1 O5 105.393 O4 Se1 O5 98.215
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 113.662 Se1 O5 H7 113.662

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