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Geometry for NCl3 (nitrogen trichloride) 1A1 C3V

1910171554
InChI=1S/Cl3N/c1-4(2)3 INChIKey=QEHKBHWEUPXBCW-UHFFFAOYSA-N

CCD/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 0.5542   0.0000 -0.0000 0.5542
Cl2 0.0000 1.6337 -0.0761   1.6337 0.0000 -0.0761
Cl3 1.4148 -0.8168 -0.0761   -0.8168 1.4148 -0.0761
Cl4 -1.4148 -0.8168 -0.0761   -0.8168 -1.4148 -0.0761
Atom - Atom Distances (Å)
  N1 Cl2 Cl3 Cl4
N1 1.7510 1.7510 1.7510
Cl2 1.7510 2.8296 2.8296
Cl3 1.7510 2.8296 2.8296
Cl4 1.7510 2.8296 2.8296
Maximum atom distance is 2.8296Å between atoms Cl3 and Cl4.
picture of nitrogen trichloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 N1 Cl3 107.797 Cl2 N1 Cl4 107.797
Cl3 N1 Cl4 107.797

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