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Geometry for PO4--- (phosphate) 1A1 TD

1910171554
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 INChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-K

LSDA/6-311G**


Point group is Td
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
O2 0.9171 0.9171 0.9171   0.9171 0.9171 0.9171
O3 -0.9171 -0.9171 0.9171   0.9171 -0.9171 -0.9171
O4 -0.9171 0.9171 -0.9171   -0.9171 0.9171 -0.9171
O5 0.9171 -0.9171 -0.9171   -0.9171 -0.9171 0.9171
Atom - Atom Distances (Å)
  P1 O2 O3 O4 O5
P1 1.5885 1.5885 1.5885 1.5885
O2 1.5885 2.5941 2.5941 2.5941
O3 1.5885 2.5941 2.5941 2.5941
O4 1.5885 2.5941 2.5941 2.5941
O5 1.5885 2.5941 2.5941 2.5941
Maximum atom distance is 2.5941Å between atoms O2 and O3.
picture of phosphate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 O3 109.471 O2 P1 O4 109.471
O2 P1 O5 109.471 O3 P1 O4 109.471
O3 P1 O5 109.471 O4 P1 O5 109.471

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