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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

wB97X-D/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 0.1259   0.0000 0.0000 0.1259
O2 0.0000 1.4256 0.8566   1.2319 0.7175 0.8566
O3 0.0000 -1.4256 0.8566   -1.2319 -0.7175 0.8566
O4 1.3360 -0.0071 -0.9916   -0.6785 1.1509 -0.9916
O5 -1.3360 0.0071 -0.9916   0.6785 -1.1509 -0.9916
H6 1.6540 -0.9203 -1.0609   -1.6276 0.9661 -1.0609
H7 -1.6540 0.9203 -1.0609   1.6276 -0.9661 -1.0609
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.6020 1.6020 1.7418 1.7418 2.2341 2.2341
O2 1.6020 2.8512 2.6932 2.6857 3.4519 2.5822
O3 1.6020 2.8512 2.6857 2.6932 2.5822 3.4519
O4 1.7418 2.6932 2.6857 2.6721 0.9694 3.1313
O5 1.7418 2.6857 2.6932 2.6721 3.1313 0.9694
H6 2.2341 3.4519 2.5822 0.9694 3.1313 3.7856
H7 2.2341 2.5822 3.4519 3.1313 0.9694 3.7856
Maximum atom distance is 3.7856Å 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 125.727 O2 Se1 O4 107.234
O2 Se1 O5 106.798 O3 Se1 O4 106.798
O3 Se1 O5 107.234 O4 Se1 O5 100.180
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 107.536 Se1 O5 H7 107.536

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