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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

1910171554
InChI=1S/Cl2OSe/c1-4(2)3 INChIKey=LIRMPIXWGWLNND-UHFFFAOYSA-N

PBE1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1552 0.5870 0.0000   0.1850 0.5571 0.1552
O2 -1.3190 1.2228 0.0000   0.3854 1.1605 -1.3190
Cl3 0.1552 -0.8747 1.6649   1.3043 -1.3548 0.1552
Cl4 0.1552 -0.8747 -1.6649   -1.8557 -0.3054 0.1552
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6054 2.2155 2.2155
O2 1.6054 3.0569 3.0569
Cl3 2.2155 3.0569 3.3297
Cl4 2.2155 3.0569 3.3297
Maximum atom distance is 3.3297Å between atoms Cl3 and Cl4.
picture of selenium oxychloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Se1 Cl3 105.147 O2 Se1 Cl4 105.147
Cl3 Se1 Cl4 97.436

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