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Geometry for NH2CN (cyanamide) 1A' Cs

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

QCISD(T)/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2206 0.0000   0.0000 0.0000 0.2206
N2 -0.0272 1.3976 0.0000   -0.0003 -0.0272 1.3976
N3 0.1071 -1.1396 0.0000   0.0012 0.1071 -1.1396
H4 -0.2798 -1.5647 0.8398   0.8365 -0.2895 -1.5647
H5 -0.2798 -1.5647 -0.8398   -0.8430 -0.2700 -1.5647
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.1773 1.3645 1.9927 1.9927
N2 1.1773 2.5408 3.0894 3.0894
N3 1.3645 2.5408 1.0177 1.0177
H4 1.9927 3.0894 1.0177 1.6797
H5 1.9927 3.0894 1.0177 1.6797
Maximum atom distance is 3.0894Å 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 176.820
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H4 112.740 C1 N3 H5 112.740
H4 N3 H5 111.227

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