|
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 NaO (sodium monoxide)
2Σ C*V
1910171554
InChI=1S/Na.O INChIKey=IVAOQJNBYYIDSI-UHFFFAOYSA-N
B3LYPultrafine/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Na1 |
0.0000 |
0.0000 |
0.8600 |
O2 |
0.0000 |
0.0000 |
-1.1825 |
Atom - Atom Distances (Å)
|
Na1 |
O2 |
Na1 |
| 2.0425 |
O2 |
2.0425 |
|
Maximum atom distance is 2.0425Å
between atoms Na1 and O2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.