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Geometry for NH2CN (cyanamide) 1A1 C2V

1910171554
InChI=1S/CH2N2/c2-1-3/h2H2 INChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.2187   0.2187 0.0000 0.0000
N2 0.0000 0.0000 1.3831   1.3831 0.0000 0.0000
N3 0.0000 0.0000 -1.1085   -1.1085 0.0000 0.0000
H4 0.0000 0.8672 -1.6171   -1.6171 0.8672 0.0000
H5 0.0000 -0.8672 -1.6171   -1.6171 -0.8672 0.0000
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.1644 1.3273 2.0303 2.0303
N2 1.1644 2.4916 3.1230 3.1230
N3 1.3273 2.4916 1.0053 1.0053
H4 2.0303 3.1230 1.0053 1.7345
H5 2.0303 3.1230 1.0053 1.7345
Maximum atom distance is 3.1230Å between atoms N2 and H4.
picture of cyanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H4 120.387 C1 N3 H5 120.387
H4 N3 H5 119.227

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