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Geometry for NaO2 (Sodium superoxide) 2A1 C2V

1910171554
InChI=1S/Na.O2/c;1-2/q+2;-2 INChIKey=

MP3/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Na1 0.0000 0.0000 1.2339   1.2339 0.0000 0.0000
O2 0.0000 0.6768 -0.8483   -0.8483 0.6768 0.0000
O3 0.0000 -0.6768 -0.8483   -0.8483 -0.6768 0.0000
Atom - Atom Distances (Å)
  Na1 O2 O3
Na1 2.1894 2.1894
O2 2.1894 1.3537
O3 2.1894 1.3537
Maximum atom distance is 2.1894Å between atoms Na1 and O2.
picture of Sodium superoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Na1 O2 O3 71.992 Na1 O3 O2 71.992
O2 Na1 O3 36.016

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