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Geometry for NBr3 (Nitrogen Tribromide) 1A1 C3V

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

CISD/daug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.6080   0.0000 0.0000 0.6080
Br2 0.0000 1.7918 -0.0405   0.0000 1.7918 -0.0405
Br3 1.5518 -0.8959 -0.0405   1.5518 -0.8959 -0.0405
Br4 -1.5518 -0.8959 -0.0405   -1.5518 -0.8959 -0.0405
Atom - Atom Distances (Å)
  N1 Br2 Br3 Br4
N1 1.9056 1.9056 1.9056
Br2 1.9056 3.1035 3.1035
Br3 1.9056 3.1035 3.1035
Br4 1.9056 3.1035 3.1035
Maximum atom distance is 3.1035Å between atoms Br2 and Br3.
picture of Nitrogen Tribromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Br2 N1 Br3 109.041 Br2 N1 Br4 109.041
Br3 N1 Br4 109.041

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