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Geometry for H2CCNH (Ethenimine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3/h3H,1H2 INChIKey=ZUKSLMGYYPZZJD-UHFFFAOYSA-N

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0551 -1.2536 0.0000   -1.2548 0.0000 -0.0154
C2 0.0000 0.0586 0.0000   0.0585 0.0000 0.0033
N3 -0.1696 1.2770 0.0000   1.2845 0.0000 -0.0976
H4 0.0854 -1.8043 0.9336   -1.8063 0.9336 -0.0161
H5 0.0854 -1.8043 -0.9336   -1.8063 -0.9336 -0.0161
H6 0.6859 1.8400 0.0000   1.7985 0.0000 0.7882
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.3134 2.5406 1.0844 1.0844 3.1573
C2 1.3134 1.2301 2.0856 2.0856 1.9088
N3 2.5406 1.2301 3.2297 3.2297 1.0242
H4 1.0844 2.0856 3.2297 1.8673 3.8096
H5 1.0844 2.0856 3.2297 1.8673 3.8096
H6 3.1573 1.9088 1.0242 3.8096 3.8096
Maximum atom distance is 3.8096Å between atoms H4 and H6.
picture of Ethenimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 174.478
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 120.569 C2 C1 H5 120.569
C2 N3 H6 115.423 H4 C1 H5 118.857

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