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Geometry for BrONO2 (Bromine nitrate) 1A' CS

1910171554
InChI=1S/BrNO3/c1-5-2(3)4 INChIKey=RRTWEEAEXPZMPY-UHFFFAOYSA-N

PBE1PBE/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 -1.1471 -0.5333 0.0000   1.2650 -0.0089 0.0000
O2 0.0000 0.8948 0.0000   -0.3829 -0.8087 0.0000
N3 1.4175 0.5529 0.0000   -1.5178 0.1069 0.0000
O4 2.0621 1.5481 0.0000   -2.5263 -0.5168 0.0000
O5 1.7163 -0.5936 0.0000   -1.2972 1.2709 0.0000
Atom - Atom Distances (Å)
  Br1 O2 N3 O4 O5
Br1 1.8317 2.7852 3.8251 2.8641
O2 1.8317 1.4582 2.1632 2.2717
N3 2.7852 1.4582 1.1858 1.1848
O4 3.8251 2.1632 1.1858 2.1695
O5 2.8641 2.2717 1.1848 2.1695
Maximum atom distance is 3.8251Å between atoms Br1 and O4.
picture of Bromine nitrate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br1 O2 N3 115.215 O2 N3 O4 109.371
O2 N3 O5 118.165 O4 N3 O5 132.464

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