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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 Be(OH)2 (Beryllium hydroxide)
1Σg D*H
1910171554
InChI=1S/Be.2H2O/h;2*1H2/q+2;;/p-2 INChIKey=
HF/LANL2DZ
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.0000 |
0.0000 |
0.0000 |
O2 |
0.0000 |
0.0000 |
1.4110 |
O3 |
0.0000 |
0.0000 |
-1.4110 |
H4 |
0.0000 |
0.0000 |
2.3444 |
H5 |
0.0000 |
0.0000 |
-2.3444 |
Atom - Atom Distances (Å)
|
Be1 |
O2 |
O3 |
H4 |
H5 |
Be1 |
|
1.4110 |
1.4110 |
2.3444 |
2.3444 |
O2 |
1.4110 |
| 2.8220 |
0.9334 |
3.7554 |
O3 |
1.4110 |
2.8220 |
| 3.7554 |
0.9334 |
H4 |
2.3444 |
0.9334 |
3.7554 |
| 4.6888 |
H5 |
2.3444 |
3.7554 |
0.9334 |
4.6888 |
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Maximum atom distance is 4.6888Å
between atoms H4 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O2 |
Be1 |
O3 |
180.000 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Be1 |
O2 |
H4 |
180.000 |
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Be1 |
O3 |
H5 |
180.000 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.