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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

CID/3-21G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.1326   0.0000 0.0000 0.1326
O2 0.0000 1.4434 0.8437   1.3048 0.6171 0.8437
O3 0.0000 -1.4434 0.8437   -1.3048 -0.6171 0.8437
O4 1.3370 -0.0067 -0.9858   -0.5777 1.2058 -0.9858
O5 -1.3370 0.0067 -0.9858   0.5777 -1.2058 -0.9858
H6 1.6676 -0.9274 -1.1166   -1.5513 1.1110 -1.1166
H7 -1.6676 0.9274 -1.1166   1.5513 -1.1110 -1.1166
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.6090 1.6090 1.7431 1.7431 2.2807 2.2807
O2 1.6090 2.8867 2.6902 2.6830 3.4991 2.6249
O3 1.6090 2.8867 2.6830 2.6902 2.6249 3.4991
O4 1.7431 2.6902 2.6830 2.6741 0.9869 3.1492
O5 1.7431 2.6830 2.6902 2.6741 3.1492 0.9869
H6 2.2807 3.4991 2.6249 0.9869 3.1492 3.8163
H7 2.2807 2.6249 3.4991 3.1492 0.9869 3.8163
Maximum atom distance is 3.8163Å 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 127.544 O2 Se1 O4 106.679
O2 Se1 O5 106.266 O3 Se1 O4 106.266
O3 Se1 O5 106.679 O4 Se1 O5 100.179
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 110.216 Se1 O5 H7 110.216

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