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Geometry for NBr3 (Nitrogen Tribromide) 1A1 C3V

1910171554
InChI=1S/Br3N/c1-4(2)3 INChIKey=UQQALTRHPDPRQC-UHFFFAOYSA-N

PBEPBEultrafine/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.6445   0.0000 0.0000 0.6445
Br2 0.0000 1.8339 -0.0430   1.8339 -0.0000 -0.0430
Br3 1.5882 -0.9169 -0.0430   -0.9169 1.5882 -0.0430
Br4 -1.5882 -0.9169 -0.0430   -0.9169 -1.5882 -0.0430
Atom - Atom Distances (Å)
  N1 Br2 Br3 Br4
N1 1.9585 1.9585 1.9585
Br2 1.9585 3.1764 3.1764
Br3 1.9585 3.1764 3.1764
Br4 1.9585 3.1764 3.1764
Maximum atom distance is 3.1764Å between atoms Br3 and Br4.
picture of Nitrogen Tribromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 N1 Br3 108.373 Br2 N1 Br4 108.373
Br3 N1 Br4 108.373

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