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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

LSDA/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0196 1.3627 0.0000   0.0002 -0.0196 1.3627
C2 0.0000 0.1540 0.0000   0.0000 0.0000 0.1540
N3 0.0815 -1.1746 0.0000   -0.0008 0.0815 -1.1746
H4 -0.0504 2.4323 0.0000   0.0005 -0.0504 2.4323
H5 -0.2014 -1.6551 0.8521   0.8540 -0.1930 -1.6551
H6 -0.2014 -1.6551 -0.8521   -0.8500 -0.2097 -1.6551
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2088 2.5393 1.0701 3.1410 3.1410
C2 1.2088 1.3311 2.2789 2.0098 2.0098
N3 2.5393 1.3311 3.6094 1.0183 1.0183
H4 1.0701 2.2789 3.6094 4.1780 4.1780
H5 3.1410 2.0098 1.0183 4.1780 1.7041
H6 3.1410 2.0098 1.0183 4.1780 1.7041
Maximum atom distance is 4.1780Å 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 177.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.279 C2 N3 H5 116.996
C2 N3 H6 116.996 H5 N3 H6 113.600

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