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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)
1A C2
1910171554
InChI=1S/Be.2H2O/h;2*1H2/q+2;;/p-2 INChIKey=
MP2=FULL/6-31+G**
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Be1 |
0.0000 |
0.0000 |
-0.0077 |
|
0.0000 |
0.0000 |
-0.0077 |
O2 |
0.0000 |
1.4346 |
-0.0436 |
|
1.4339 |
-0.0453 |
-0.0436 |
O3 |
0.0000 |
-1.4346 |
-0.0436 |
|
-1.4339 |
0.0453 |
-0.0436 |
H4 |
0.5537 |
2.0972 |
0.3641 |
|
2.1136 |
0.4872 |
0.3641 |
H5 |
-0.5537 |
-2.0972 |
0.3641 |
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-2.1136 |
-0.4872 |
0.3641 |
Atom - Atom Distances (Å)
|
Be1 |
O2 |
O3 |
H4 |
H5 |
Be1 |
|
1.4350 |
1.4350 |
2.2007 |
2.2007 |
O2 |
1.4350 |
| 2.8692 |
0.9549 |
3.5981 |
O3 |
1.4350 |
2.8692 |
| 3.5981 |
0.9549 |
H4 |
2.2007 |
0.9549 |
3.5981 |
| 4.3382 |
H5 |
2.2007 |
3.5981 |
0.9549 |
4.3382 |
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Maximum atom distance is 4.3382Å
between atoms H4 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O2 |
Be1 |
O3 |
177.135 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Be1 |
O2 |
H4 |
133.081 |
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Be1 |
O3 |
H5 |
133.081 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.