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Geometry for NCl3 (nitrogen trichloride) 1A1 C3V

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

MP3=FULL/3-21G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.5886   0.0000 -0.0000 0.5886
Cl2 0.0000 1.6863 -0.0808   1.6863 0.0000 -0.0808
Cl3 1.4604 -0.8431 -0.0808   -0.8431 1.4604 -0.0808
Cl4 -1.4604 -0.8431 -0.0808   -0.8431 -1.4604 -0.0808
Atom - Atom Distances (Å)
  N1 Cl2 Cl3 Cl4
N1 1.8143 1.8143 1.8143
Cl2 1.8143 2.9207 2.9207
Cl3 1.8143 2.9207 2.9207
Cl4 1.8143 2.9207 2.9207
Maximum atom distance is 2.9207Å 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 107.208 Cl2 N1 Cl4 107.208
Cl3 N1 Cl4 107.208

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