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Geometry for NH2Cl (chloramine) 1A' CS

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

MP2=FULL/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0418 1.1556 0.0000   1.1526 0.0000 -0.0932
Cl2 -0.0418 -0.6421 0.0000   -0.6433 0.0000 -0.0132
H3 0.5017 1.4131 0.8354   1.4340 0.8354 0.4383
H4 0.5017 1.4131 -0.8354   1.4340 -0.8354 0.4383
Atom - Atom Distances (Å)
  N1 Cl2 H3 H4
N1 1.7977 1.0293 1.0293
Cl2 1.7977 2.2841 2.2841
H3 1.0293 2.2841 1.6708
H4 1.0293 2.2841 1.6708
Maximum atom distance is 2.2841Å 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 104.487 Cl2 N1 H4 104.487
H3 N1 H4 108.498

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