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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)
2Σ C*V
1910171554
InChI=1S/Be.H2O/h;1H2/q+1;/p-1 INChIKey=XTIMETPJOMYPHC-UHFFFAOYSA-M
B2PLYP=FULL/STO-3G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| O1 |
0.0000 |
0.0000 |
0.3296 |
| Be2 |
0.0000 |
0.0000 |
-0.9883 |
| H3 |
0.0000 |
0.0000 |
1.3165 |
Atom - Atom Distances (Å)
| |
O1 |
Be2 |
H3 |
| O1 |
|
1.3179 |
0.9869 |
| Be2 |
1.3179 |
| 2.3047 |
| H3 |
0.9869 |
2.3047 |
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Maximum atom distance is 2.3047Å
between atoms Be2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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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.