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Geometry for NH2Cl (chloramine) 1A' CS

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

B2PLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0435 1.1409 0.0000   1.1377 0.0000 -0.0968
Cl2 -0.0435 -0.6325 0.0000   -0.6339 0.0000 -0.0139
H3 0.5222 1.3831 0.8100   1.4060 0.8100 0.4570
H4 0.5222 1.3831 -0.8100   1.4060 -0.8100 0.4570
Atom - Atom Distances (Å)
  N1 Cl2 H3 H4
N1 1.7734 1.0173 1.0173
Cl2 1.7734 2.2448 2.2448
H3 1.0173 2.2448 1.6201
H4 1.0173 2.2448 1.6201
Maximum atom distance is 2.2448Å 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 103.775 Cl2 N1 H4 103.775
H3 N1 H4 105.552

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