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Geometry for (Nitryl chloride) 1A1 C2V

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

MP2/CEP-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 0.0000 0.0000 1.3644   1.3644 0.0000 0.0000
N2 0.0000 0.0000 -0.6465   -0.6465 0.0000 0.0000
O3 0.0000 1.1669 -1.1668   -1.1668 1.1669 0.0000
O4 0.0000 -1.1669 -1.1668   -1.1668 -1.1669 0.0000
Atom - Atom Distances (Å)
  Cl1 N2 O3 O4
Cl1 2.0109 2.7872 2.7872
N2 2.0109 1.2776 1.2776
O3 2.7872 1.2776 2.3338
O4 2.7872 1.2776 2.3338
Maximum atom distance is 2.7872Å 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 114.029 Cl1 N2 O4 114.029
O3 N2 O4 131.943

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