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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

CCD/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.1331   0.0000 0.0000 0.1331
O2 0.0000 1.4165 0.8342   1.2643 -0.6388 0.8342
O3 0.0000 -1.4165 0.8342   -1.2643 0.6388 0.8342
O4 1.3308 0.0159 -0.9739   0.6143 1.1806 -0.9739
O5 -1.3308 -0.0159 -0.9739   -0.6143 -1.1806 -0.9739
H6 1.5827 -0.9013 -1.1457   -0.0907 1.8191 -1.1457
H7 -1.5827 0.9013 -1.1457   0.0907 -1.8191 -1.1457
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.5805 1.5805 1.7311 1.7311 2.2255 2.2255
O2 1.5805 2.8329 2.6461 2.6631 3.4347 2.5866
O3 1.5805 2.8329 2.6631 2.6461 2.5866 3.4347
O4 1.7311 2.6461 2.6631 2.6617 0.9666 3.0498
O5 1.7311 2.6631 2.6461 2.6617 3.0498 0.9666
H6 2.2255 3.4347 2.5866 0.9666 3.0498 3.6427
H7 2.2255 2.5866 3.4347 3.0498 0.9666 3.6427
Maximum atom distance is 3.6427Å 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 127.334 O2 Se1 O4 105.988
O2 Se1 O5 106.973 O3 Se1 O4 106.973
O3 Se1 O5 105.988 O4 Se1 O5 100.488
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 107.776 Se1 O5 H7 107.776

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