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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for Na2O (disodium monoxide)
1A1 C2V
1910171554
InChI=1S/2Na.O INChIKey=QVUYWFOHKOTLOB-UHFFFAOYNA-N
TPSSh/STO-3G
Point group is C2v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0000 |
0.0000 |
0.9283 |
|
0.9283 |
0.0000 |
0.0000 |
Na2 |
0.0000 |
1.3556 |
-0.3376 |
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-0.3376 |
0.0000 |
1.3556 |
Na3 |
0.0000 |
-1.3556 |
-0.3376 |
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-0.3376 |
0.0000 |
-1.3556 |
Atom - Atom Distances (Å)
|
O1 |
Na2 |
Na3 |
O1 |
| 1.8548 |
1.8548 |
Na2 |
1.8548 |
| 2.7113 |
Na3 |
1.8548 |
2.7113 |
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Maximum atom distance is 2.7113Å
between atoms Na2 and Na3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Na2 |
O1 |
Na3 |
93.920 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.