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Geometry for NHCl2 (dichloroamine) 1A' CS

1910171554
1S/Cl2HN/c1-3-2/h3H INChIKey=JSYGRUBHOCKMGQ-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0223 0.7987 0.0000   0.0747 0.7952 0.0223
H2 -0.9154 1.2049 0.0000   0.1127 1.1996 -0.9154
Cl3 0.0223 -0.1999 1.4446   1.4195 -0.3341 0.0223
Cl4 0.0223 -0.1999 -1.4446   -1.4569 -0.0638 0.0223
Atom - Atom Distances (Å)
  N1 H2 Cl3 Cl4
N1 1.0219 1.7561 1.7561
H2 1.0219 2.2225 2.2225
Cl3 1.7561 2.2225 2.8892
Cl4 1.7561 2.2225 2.8892
Maximum atom distance is 2.8892Å between atoms Cl3 and Cl4.
picture of dichloroamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl3 N1 Cl4 110.693
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 Cl3 103.064 H2 N1 Cl4 103.064

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