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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 MgOH (magnesium hydroxide)
2A' CS
1910171554
InChI=1S/Mg.H2O/h;1H2/q+1;/p-1 INChIKey=UNYOJUYSNFGNDV-UHFFFAOYSA-M
MP2/6-31G**
Point group is Cs
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
O1 |
0.0264 |
0.9923 |
0.0000 |
Mg2 |
0.0264 |
-0.8090 |
0.0000 |
H3 |
-0.5273 |
1.7698 |
0.0000 |
Atom - Atom Distances (Å)
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O1 |
Mg2 |
H3 |
O1 |
| 1.8013 |
0.9545 |
Mg2 |
1.8013 |
| 2.6376 |
H3 |
0.9545 |
2.6376 |
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Maximum atom distance is 2.6376Å
between atoms Mg2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Mg2 |
O1 |
H3 |
144.541 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.