return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for Na2O (disodium monoxide) 1A1 C2V

1910171554
InChI=1S/2Na.O INChIKey=QVUYWFOHKOTLOB-UHFFFAOYNA-N

CID/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.2851   0.2851 0.0000 0.0000
Na2 0.0000 1.9405 -0.1037   -0.1037 0.0000 1.9405
Na3 0.0000 -1.9405 -0.1037   -0.1037 0.0000 -1.9405
Atom - Atom Distances (Å)
  O1 Na2 Na3
O1 1.9791 1.9791
Na2 1.9791 3.8810
Na3 1.9791 3.8810
Maximum atom distance is 3.8810Å between atoms Na2 and Na3.
picture of disodium monoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Na2 O1 Na3 157.345

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