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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

B3LYP/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.0000 0.0000 0.1297   0.0000 0.0000 0.1297
O2 0.0000 1.4230 0.8581   1.2809 -0.6199 0.8581
O3 0.0000 -1.4230 0.8581   -1.2809 0.6199 0.8581
O4 1.3524 0.0217 -0.9933   0.6087 1.2078 -0.9933
O5 -1.3524 -0.0217 -0.9933   -0.6087 -1.2078 -0.9933
H6 1.6372 -0.8967 -1.1235   -0.0939 1.8643 -1.1235
H7 -1.6372 0.8967 -1.1235   0.0939 -1.8643 -1.1235
Atom - Atom Distances (Å)
  Se1 O2 O3 O4 O5 H6 H7
Se1 1.5986 1.5986 1.7580 1.7580 2.2484 2.2484
O2 1.5986 2.8461 2.6870 2.7099 3.4624 2.6238
O3 1.5986 2.8461 2.7099 2.6870 2.6238 3.4624
O4 1.7580 2.6870 2.7099 2.7051 0.9704 3.1177
O5 1.7580 2.7099 2.6870 2.7051 3.1177 0.9704
H6 2.2484 3.4624 2.6238 0.9704 3.1177 3.7333
H7 2.2484 2.6238 3.4624 3.1177 0.9704 3.7333
Maximum atom distance is 3.7333Å 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 125.793 O2 Se1 O4 106.263
O2 Se1 O5 107.581 O3 Se1 O4 107.581
O3 Se1 O5 106.263 O4 Se1 O5 100.593
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Se1 O4 H6 107.449 Se1 O5 H7 107.449

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