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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 BeOH (beryllium monohydroxide)
2A' CS
1910171554
InChI=1S/Be.H2O/h;1H2/q+1;/p-1 INChIKey=XTIMETPJOMYPHC-UHFFFAOYSA-M
PBEPBE/cc-pVDZ
Point group is C∞v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0000 |
0.0000 |
0.3575 |
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0.0000 |
0.0000 |
0.3575 |
Be2 |
0.0000 |
0.0000 |
-1.0439 |
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0.0000 |
0.0000 |
-1.0439 |
H3 |
0.0000 |
0.0000 |
1.3158 |
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0.0000 |
0.0000 |
1.3158 |
Atom - Atom Distances (Å)
|
O1 |
Be2 |
H3 |
O1 |
|
1.4014 |
0.9583 |
Be2 |
1.4014 |
| 2.3597 |
H3 |
0.9583 |
2.3597 |
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Maximum atom distance is 2.3597Å
between atoms Be2 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 |
Be2 |
O1 |
H3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.