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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=
CCD/6-31G(2df,p)
Point group is C2
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Be1 |
0.0000 |
0.0000 |
-0.0124 |
|
0.0000 |
0.0000 |
-0.0124 |
| O2 |
0.0000 |
1.4238 |
-0.0529 |
|
1.4231 |
-0.0448 |
-0.0529 |
| O3 |
0.0000 |
-1.4238 |
-0.0529 |
|
-1.4231 |
0.0448 |
-0.0529 |
| H4 |
0.5657 |
1.9987 |
0.4482 |
|
2.0155 |
0.5025 |
0.4482 |
| H5 |
-0.5657 |
-1.9987 |
0.4482 |
|
-2.0155 |
-0.5025 |
0.4482 |
Atom - Atom Distances (Å)
| |
Be1 |
O2 |
O3 |
H4 |
H5 |
| Be1 |
|
1.4244 |
1.4244 |
2.1277 |
2.1277 |
| O2 |
1.4244 |
| 2.8476 |
0.9496 |
3.5050 |
| O3 |
1.4244 |
2.8476 |
| 3.5050 |
0.9496 |
| H4 |
2.1277 |
0.9496 |
3.5050 |
| 4.1545 |
| H5 |
2.1277 |
3.5050 |
0.9496 |
4.1545 |
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Maximum atom distance is 4.1545Å
between atoms H4 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
Be1 |
O3 |
176.736 |
|
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Be1 |
O2 |
H4 |
126.169 |
|
Be1 |
O3 |
H5 |
126.169 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.