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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=
B3PW91/cc-pVTZ
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Be1 |
0.0000 |
0.0000 |
-0.0142 |
|
-0.0141 |
-0.0004 |
0.0000 |
O2 |
0.0000 |
1.4263 |
-0.0571 |
|
-0.0571 |
-0.0015 |
1.4263 |
O3 |
0.0000 |
-1.4263 |
-0.0571 |
|
-0.0571 |
-0.0015 |
-1.4263 |
H4 |
0.4986 |
2.0298 |
0.4851 |
|
0.4714 |
0.5115 |
2.0298 |
H5 |
-0.4986 |
-2.0298 |
0.4851 |
|
0.4984 |
-0.4853 |
-2.0298 |
Atom - Atom Distances (Å)
|
Be1 |
O2 |
O3 |
H4 |
H5 |
Be1 |
|
1.4270 |
1.4270 |
2.1490 |
2.1490 |
O2 |
1.4270 |
| 2.8526 |
0.9523 |
3.5338 |
O3 |
1.4270 |
2.8526 |
| 3.5338 |
0.9523 |
H4 |
2.1490 |
0.9523 |
3.5338 |
| 4.1804 |
H5 |
2.1490 |
3.5338 |
0.9523 |
4.1804 |
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Maximum atom distance is 4.1804Å
between atoms H4 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O2 |
Be1 |
O3 |
176.551 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Be1 |
O2 |
H4 |
128.052 |
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Be1 |
O3 |
H5 |
128.052 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.