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Geometry for ClNO2 (Nitryl chloride) 1A1 C2V

1910171554
InChI=1S/ClNO2/c1-2(3)4 INChIKey=HVZWVEKIQMJYIK-UHFFFAOYSA-N

QCISD/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 0.0000 0.0000 1.2634   1.2634 0.0000 0.0000
N2 0.0000 0.0000 -0.6054   -0.6054 0.0000 0.0000
O3 0.0000 1.0906 -1.0774   -1.0774 1.0906 0.0000
O4 0.0000 -1.0906 -1.0774   -1.0774 -1.0906 0.0000
Atom - Atom Distances (Å)
  Cl1 N2 O3 O4
Cl1 1.8688 2.5824 2.5824
N2 1.8688 1.1883 1.1883
O3 2.5824 1.1883 2.1811
O4 2.5824 1.1883 2.1811
Maximum atom distance is 2.5824Å between atoms Cl1 and O3.
picture of Nitryl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 N2 O3 113.403 Cl1 N2 O4 113.403
O3 N2 O4 133.193

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