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Geometry for NH2CN (cyanamide) 1A' Cs

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

LSDA/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2147 0.0000   0.0000 0.0000 0.2147
N2 -0.0169 1.3776 0.0000   -0.0002 -0.0169 1.3776
N3 0.0694 -1.1068 0.0000   0.0010 0.0694 -1.1068
H4 -0.1840 -1.5918 0.8580   0.8553 -0.1960 -1.5918
H5 -0.1840 -1.5918 -0.8580   -0.8605 -0.1721 -1.5918
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.1630 1.3234 2.0083 2.0083
N2 1.1630 2.4860 3.0954 3.0954
N3 1.3234 2.4860 1.0176 1.0176
H4 2.0083 3.0954 1.0176 1.7160
H5 2.0083 3.0954 1.0176 1.7160
Maximum atom distance is 3.0954Å 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 177.823
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H4 117.569 C1 N3 H5 117.569
H4 N3 H5 114.942

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