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Geometry for NCl3 (nitrogen trichloride) 1A1 C3V

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

mPW1PW91/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.5428   0.0000 0.0000 0.5428
Cl2 0.0000 1.6574 -0.0745   1.6574 0.0000 -0.0745
Cl3 1.4354 -0.8287 -0.0745   -0.8287 1.4354 -0.0745
Cl4 -1.4354 -0.8287 -0.0745   -0.8287 -1.4354 -0.0745
Atom - Atom Distances (Å)
  N1 Cl2 Cl3 Cl4
N1 1.7687 1.7687 1.7687
Cl2 1.7687 2.8708 2.8708
Cl3 1.7687 2.8708 2.8708
Cl4 1.7687 2.8708 2.8708
Maximum atom distance is 2.8708Å 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 108.499 Cl2 N1 Cl4 108.499
Cl3 N1 Cl4 108.499

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