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Geometry for ClNO2 (Nitryl chloride) 1A1 C2V

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

LSDA/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 0.0000 0.0000 1.2770   1.2770 0.0000 0.0000
N2 0.0000 0.0000 -0.6143   -0.6143 0.0000 0.0000
O3 0.0000 1.0943 -1.0881   -1.0881 1.0943 0.0000
O4 0.0000 -1.0943 -1.0881   -1.0881 -1.0943 0.0000
Atom - Atom Distances (Å)
  Cl1 N2 O3 O4
Cl1 1.8913 2.6060 2.6060
N2 1.8913 1.1924 1.1924
O3 2.6060 1.1924 2.1886
O4 2.6060 1.1924 2.1886
Maximum atom distance is 2.6060Å 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 113.410 Cl1 N2 O4 113.410
O3 N2 O4 133.181

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