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Geometry for H2CNCH (methyleneaminomethylene) 1A' CS

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

wB97X-D/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1145 -1.1698 0.0000   0.0134 0.1138 -1.1698
N2 0.0000 0.0980 0.0000   0.0000 0.0000 0.0980
C3 -0.2678 1.2927 0.0000   -0.0313 -0.2660 1.2927
H4 0.1659 -1.7004 0.9440   0.9569 0.0544 -1.7004
H5 0.1659 -1.7004 -0.9440   -0.9181 0.2751 -1.7004
H6 0.5881 1.9769 0.0000   0.0688 0.5840 1.9769
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.2730 2.4920 1.0841 1.0841 3.1821
N2 1.2730 1.2244 2.0379 2.0379 1.9687
C3 2.4920 1.2244 3.1683 3.1683 1.0957
H4 1.0841 2.0379 3.1683 1.8879 3.8199
H5 1.0841 2.0379 3.1683 1.8879 3.8199
H6 3.1821 1.9687 1.0957 3.8199 3.8199
Maximum atom distance is 3.8199Å 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 172.526
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 119.455 N2 C1 H5 119.455
N2 C3 H6 116.000 H4 C1 H5 121.089

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