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Geometry for BrONO2 (Bromine nitrate) 1A' CS

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

B2PLYP=FULL/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Br1 -1.1664 -0.5338 0.0000   1.2821 0.0390 0.0000
O2 0.0000 0.9207 0.0000   -0.3575 -0.8485 0.0000
N3 1.4504 0.5466 0.0000   -1.5488 0.0595 0.0000
O4 2.1014 1.5497 0.0000   -2.5382 -0.6121 0.0000
O5 1.7326 -0.6134 0.0000   -1.3584 1.2380 0.0000
Atom - Atom Distances (Å)
  Br1 O2 N3 O4 O5
Br1 1.8644 2.8310 3.8755 2.9001
O2 1.8644 1.4978 2.1935 2.3142
N3 2.8310 1.4978 1.1958 1.1939
O4 3.8755 2.1935 1.1958 2.1943
O5 2.9001 2.3142 1.1939 2.1943
Maximum atom distance is 3.8755Å 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 114.264 O2 N3 O4 108.521
O2 N3 O5 118.134 O4 N3 O5 133.345

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