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Geometry for NH2Cl (chloramine) 1A' CS

1910171554
InChI=1S/ClH2N/c1-2/h2H2 INChIKey=QDHHCQZDFGDHMP-UHFFFAOYSA-N

MP2=FULL/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0432 1.1253 0.0000   0.0023 -0.0432 1.1253
Cl2 -0.0432 -0.6260 0.0000   0.0023 -0.0432 -0.6260
H3 0.5188 1.3826 0.8073   0.7785 0.5611 1.3826
H4 0.5188 1.3826 -0.8073   -0.8339 0.4749 1.3826
Atom - Atom Distances (Å)
  N1 Cl2 H3 H4
N1 1.7514 1.0168 1.0168
Cl2 1.7514 2.2366 2.2366
H3 1.0168 2.2366 1.6147
H4 1.0168 2.2366 1.6147
Maximum atom distance is 2.2366Å between atoms Cl2 and H3.
picture of chloramine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 N1 H3 104.656 Cl2 N1 H4 104.656
H3 N1 H4 105.126

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