return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for Be(OH)2 (Beryllium hydroxide) 1A C2

1910171554
InChI=1S/Be.2H2O/h;2*1H2/q+2;;/p-2 INChIKey=

MP3=FULL/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Be1 0.0000 0.0000 -0.0376   0.0000 0.0000 -0.0376
O2 0.0000 1.4257 -0.0569   1.4250 0.0442 -0.0569
O3 0.0000 -1.4257 -0.0569   -1.4250 -0.0442 -0.0569
H4 0.5259 1.9542 0.5301   1.9369 0.5862 0.5301
H5 -0.5259 -1.9542 0.5301   -1.9369 -0.5862 0.5301
Atom - Atom Distances (Å)
  Be1 O2 O3 H4 H5
Be1 1.4258 1.4258 2.1018 2.1018
O2 1.4258 2.8514 0.9488 3.4706
O3 1.4258 2.8514 3.4706 0.9488
H4 2.1018 0.9488 3.4706 4.0474
H5 2.1018 3.4706 0.9488 4.0474
Maximum atom distance is 4.0474Å between atoms H4 and H5.
picture of Beryllium hydroxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Be1 O3 178.452
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Be1 O2 H4 123.269 Be1 O3 H5 123.269

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.