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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

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

MP3/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1065 0.3151 0.0000   0.0666 0.3080 0.1065
O2 -0.9051 1.6578 0.0000   0.3506 1.6203 -0.9051
Cl3 0.1065 -0.7052 1.8442   1.6534 -1.0792 0.1065
Cl4 0.1065 -0.7052 -1.8442   -1.9516 -0.2993 0.1065
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6811 2.1076 2.1076
O2 1.6811 3.1636 3.1636
Cl3 2.1076 3.1636 3.6884
Cl4 2.1076 3.1636 3.6884
Maximum atom distance is 3.6884Å 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 112.746 O2 Se1 Cl4 112.746
Cl3 Se1 Cl4 122.091

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