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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

wB97X-D/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0006 1.3671 0.0000   1.3671 0.0000 -0.0004
C2 0.0000 0.1601 0.0000   0.1601 0.0000 0.0000
N3 0.0002 -1.1725 0.0000   -1.1725 0.0000 0.0000
H4 0.0020 2.4272 0.0000   2.4272 0.0000 0.0024
H5 0.0002 -1.6916 0.8657   -1.6916 0.8657 -0.0001
H6 0.0002 -1.6916 -0.8657   -1.6916 -0.8657 -0.0001
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2070 2.5395 1.0601 3.1788 3.1788
C2 1.2070 1.3326 2.2671 2.0441 2.0441
N3 2.5395 1.3326 3.5996 1.0095 1.0095
H4 1.0601 2.2671 3.5996 4.2087 4.2087
H5 3.1788 2.0441 1.0095 4.2087 1.7315
H6 3.1788 2.0441 1.0095 4.2087 1.7315
Maximum atom distance is 4.2087Å between atoms H4 and H5.
picture of Ethynamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 179.979
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.829 C2 N3 H5 120.947
C2 N3 H6 120.947 H5 N3 H6 118.105

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