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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

PBEPBEultrafine/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0050 1.3733 0.0000   0.0000 -0.0050 1.3733
C2 0.0000 0.1580 0.0000   0.0000 0.0000 0.1580
N3 0.0918 -1.1947 0.0000   -0.0002 0.0918 -1.1947
H4 -0.0208 2.4411 0.0000   0.0000 -0.0208 2.4411
H5 -0.2959 -1.6332 0.8361   0.8367 -0.2942 -1.6332
H6 -0.2959 -1.6332 -0.8361   -0.8354 -0.2976 -1.6332
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2153 2.5698 1.0679 3.1341 3.1341
C2 1.2153 1.3558 2.2832 1.9987 1.9987
N3 2.5698 1.3558 3.6375 1.0206 1.0206
H4 1.0679 2.2832 3.6375 4.1683 4.1683
H5 3.1341 1.9987 1.0206 4.1683 1.6721
H6 3.1341 1.9987 1.0206 4.1683 1.6721
Maximum atom distance is 4.1683Å 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 176.353
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.387 C2 N3 H5 113.763
C2 N3 H6 113.763 H5 N3 H6 110.006

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