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Geometry for NCl3 (nitrogen trichloride) 1A1 C3V

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

LSDA/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 0.5759   0.0000 0.0000 0.5759
Cl2 0.0000 1.6606 -0.0790   1.6606 0.0000 -0.0790
Cl3 1.4381 -0.8303 -0.0790   -0.8303 1.4381 -0.0790
Cl4 -1.4381 -0.8303 -0.0790   -0.8303 -1.4381 -0.0790
Atom - Atom Distances (Å)
  N1 Cl2 Cl3 Cl4
N1 1.7851 1.7851 1.7851
Cl2 1.7851 2.8762 2.8762
Cl3 1.7851 2.8762 2.8762
Cl4 1.7851 2.8762 2.8762
Maximum atom distance is 2.8762Å between atoms Cl2 and Cl3.
picture of nitrogen trichloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 N1 Cl3 107.342 Cl2 N1 Cl4 107.342
Cl3 N1 Cl4 107.342

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