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Geometry for NHCl2 (dichloroamine) 1A' CS

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

B1B95/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0224 0.7934 0.0000   0.0747 0.7898 0.0224
H2 -0.9174 1.1913 0.0000   0.1122 1.1860 -0.9174
Cl3 0.0224 -0.1984 1.4446   1.4194 -0.3336 0.0224
Cl4 0.0224 -0.1984 -1.4446   -1.4568 -0.0614 0.0224
Atom - Atom Distances (Å)
  N1 H2 Cl3 Cl4
N1 1.0205 1.7522 1.7522
H2 1.0205 2.2138 2.2138
Cl3 1.7522 2.2138 2.8891
Cl4 1.7522 2.2138 2.8891
Maximum atom distance is 2.8891Å 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 111.059
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 N1 Cl3 102.749 H2 N1 Cl4 102.749

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