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Geometry for BeCO3 (Beryllium Carbonate) 1A1 C2V

1910171554
InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 INChIKey=ZBUQRSWEONVBES-UHFFFAOYSA-L

MP2=FULL/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3359   0.3359 0.0000 0.0000
O2 0.0000 0.0000 1.5351   1.5351 0.0000 0.0000
Be3 0.0000 0.0000 -1.4942   -1.4942 0.0000 0.0000
O4 0.0000 1.1176 -0.5199   -0.5199 1.1176 0.0000
O5 0.0000 -1.1176 -0.5199   -0.5199 -1.1176 0.0000
Atom - Atom Distances (Å)
  C1 O2 Be3 O4 O5
C1 1.1992 1.8301 1.4076 1.4076
O2 1.1992 3.0293 2.3392 2.3392
Be3 1.8301 3.0293 1.4827 1.4827
O4 1.4076 2.3392 1.4827 2.2352
O5 1.4076 2.3392 1.4827 2.2352
Maximum atom distance is 3.0293Å between atoms O2 and Be3.
picture of Beryllium Carbonate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 Be3 78.526 C1 O5 Be3 78.526
O2 C1 O4 127.444 O2 C1 O5 127.444
O4 C1 O5 105.112 O4 Be3 O5 97.836

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