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Geometry for H2CNCN (cyanamide, methylene) 1A'

1910171554
InChI=1S/C2H2N2/c1-4-2-3/h1H2 INChIKey=

B3LYPultrafine/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0929 -1.5568 0.0000   -1.5289 0.3080 0.0000
N2 -0.5946 -0.4864 0.0000   -0.5642 -0.5214 0.0000
C3 0.0000 0.7114 0.0000   0.7046 -0.0987 0.0000
N4 0.4087 1.7933 0.0000   1.8326 0.1560 0.0000
H5 -0.4382 -2.5023 0.0000   -2.5389 -0.0868 0.0000
H6 1.1823 -1.5734 0.0000   -1.3942 1.3892 0.0000
Atom - Atom Distances (Å)
  C1 N2 C3 N4 H5 H6
C1 1.2722 2.2702 3.3649 1.0844 1.0896
N2 1.2722 1.3373 2.4907 2.0220 2.0830
C3 2.2702 1.3373 1.1565 3.2435 2.5726
N4 3.3649 2.4907 1.1565 4.3783 3.4544
H5 1.0844 2.0220 3.2435 4.3783 1.8679
H6 1.0896 2.0830 2.5726 3.4544 1.8679
Maximum atom distance is 4.3783Å between atoms N4 and H5.
picture of cyanamide, methylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 120.888 N2 C3 N4 174.296
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H5 117.967 N2 C1 H6 123.584
H5 C1 H6 118.449

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