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Geometry for H2CNCH (methyleneaminomethylene) 1A' CS

1910171554
InChI=1S/C2H3N/c1-3-2/h1H,2H2 INChIKey=

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1501 -1.1682 0.0000   -1.1777 0.0000 -0.0171
N2 0.0000 0.0994 0.0000   0.0984 0.0000 0.0141
C3 -0.3067 1.2832 0.0000   1.3137 0.0000 -0.1217
H4 0.2145 -1.7000 0.9436   -1.7132 0.9436 -0.0287
H5 0.2145 -1.7000 -0.9436   -1.7132 -0.9436 -0.0287
H6 0.5106 2.0141 0.0000   1.9214 0.0000 0.7910
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.2765 2.4936 1.0851 1.0851 3.2027
N2 1.2765 1.2229 2.0431 2.0431 1.9816
C3 2.4936 1.2229 3.1720 3.1720 1.0965
H4 1.0851 2.0431 3.1720 1.8872 3.8435
H5 1.0851 2.0431 3.1720 1.8872 3.8435
H6 3.2027 1.9816 1.0965 3.8435 3.8435
Maximum atom distance is 3.8435Å between atoms H4 and H6.
picture of methyleneaminomethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 172.228
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 119.582 N2 C1 H5 119.582
N2 C3 H6 117.284 H4 C1 H5 120.836

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