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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 Mg2 (Magnesium diatomic)
1Σg D*H
1910171554
InChI=1S/2Mg INChIKey=HZZOEADXZLYIHG-UHFFFAOYSA-N
B3LYP/cc-pVDZ
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Mg1 |
0.0000 |
0.0000 |
1.9628 |
Mg2 |
0.0000 |
0.0000 |
-1.9628 |
Atom - Atom Distances (Å)
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Mg1 |
Mg2 |
Mg1 |
| 3.9256 |
Mg2 |
3.9256 |
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Maximum atom distance is 3.9256Å
between atoms Mg1 and Mg2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.